<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 24th August 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Shimadzu, Thermo Fisher Scientific </strong>and <strong>Waters Corporation </strong>and poster by<strong> MDCW / GC Image!</strong></p><h3><strong>1. MDCW / GC Image: Alignment and Filtering Tools for Enhanced Differencing of Two-Dimensional Chromatograms</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/P_21_Wu_3838638ea4.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><h5><strong>Challenges&nbsp;</strong></h5><p>Chromatogram-like visual differencing is intuitive, yet simple pixel-to-pixel subtraction often produces noisy artifacts, fails to correct retention-time shifts, and can obscure low-intensity but meaningful differences.&nbsp;</p><p>Previously, we developed comparative visualization methods [1] based on classic image-comparison techniques, including:&nbsp;</p><ul><li>Alignment with specialized color maps to visually highlight discrepancies between chromatograms&nbsp;</li><li>Interactive matching across two chromatograms [2], enabling both qualitative and quantitative side-by-side assessment at the individual-peak level&nbsp;</li></ul><p>We extend this work by presenting a more robust chromatogram differencing visualization method designed to overcome these limitations</p><h4><strong>Example 1: Alignment for Data Fusion (FID vs MS)&nbsp;</strong></h4><ul><li><strong>Data Set:</strong> GCxGC data of a diesel fuel sample&nbsp;</li><li><strong>Instruments:</strong> <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=7890A"><strong>Agilent 7890A GC</strong></a>/InfoMass L10 thermal modulator/Hexin TOFMS<ul><li><strong>Detectors:</strong> FID (350 C, 200 Hz), MS (45-450 m/z, 50 Hz)&nbsp;</li><li><strong>Modulation:</strong> 6 seconds with programmable cold jet gas flow (15L/min to 6 L/min)</li></ul></li></ul><h4><strong>Example 2: Differencing (GC×GC-MS)&nbsp;</strong></h4><ul><li><strong>Data Set: </strong>GCxGC-TOFMS data set of different dark chocolates [3].</li><li><strong>Instruments: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=23&amp;search=AccuTof"><strong>JEOL AccuTof GC mass spectrometer</strong></a> with an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=7890"><strong>Agilent 7890 GC</strong></a></li></ul><h4><strong>Example 3: Differencing with BPC (LC×LC-MS)&nbsp;</strong></h4><ul><li><strong>Data Set:</strong> LCxLC-MS data of different types of beer [4].&nbsp;</li><li><strong>Instruments: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=10&amp;search=1290+infinity+2D-LC"><strong>Agilent 1290 Infinity 2D-LC</strong></a> solution coupled with an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=10&amp;search=6530"><strong>Agilent 6530 Accurate-Mass Q-TOF LC/MS system</strong></a></li></ul><h3><strong>2. Shimadzu: Comprehensive and High-Sensitivity Analysis of Food Aroma by Simultaneous Scan/MRM Measurement Using Triple Quadrupole GC-MS/MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_01_01269_en_657ee319e0.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>User benefits</strong></h4><ul><li>Simultaneous scan/MRM measurement enables comprehensive search by scan measurement and high-sensitivity analysis of trace aroma compounds by MRM in a single measurement.&nbsp;</li><li>With LabSolutions Insight Explore GCMS, deconvolution analysis of scan data and target analysis of MRM data are possible in a single software program.&nbsp;</li><li>The Multi-Mode Injection Unit (MMI), which allows rapid heating, supports aroma analysis in the thermal desorption (TD) mode</li></ul><p>The “aroma” of food products and beverages is a key factor that largely determines product quality and consumer preferences, and thus is an extremely important element in product development and quality control. Since the gas chromatograph mass spectrometer (GC-MS) provides excellent performance in qualitative analysis of volatile compounds, it is used to measure various aroma components that make up an odor. However, due to the diversity of aroma compounds and their wide concentration range, which extends from the ppm to the ppt order, an analytical method that allows efficient measurement of these substances is demanded.&nbsp;</p><p>Non-targeted analysis by scan measurement is an effective tool for comprehensive profiling, but in many cases, it is difficult to identify the trace components that make a significant contribution to aroma due to the limits of instrument sensitivity and matrix interference. On the other hand, although widetarget analysis by the MRM (Multiple Reaction Monitoring) mode using GC-MS/MS offers high sensitivity and selectivity for several hundred target components, MRM lacks a search capability for unknown components.</p><p>Therefore, this Application News article reports a technique that satisfies both comprehensive non-targeted search and highsensitivity detection of trace components in a single analysis by combining the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=1&amp;search=8040+RX"><strong>GCMS-TQ 8040 RX</strong></a>, which supports simultaneous data acquisition in simultaneous multi-component analysis measurements by scan measurement and the MRM mode, and the Smart Aroma Database for use in aroma analysis. In addition, in this experiment, the thermal desorption (TD) mode of the Multi-Mode Injection Unit (MMI) was adopted for sample introduction. This enablesintroduction of componentstapped on the adsorbent without using a dedicated TD device, thereby achieving a simplified system configuration.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>This Application News article showed that it is possible to achieve both a comprehensive non-targeted analysis of food aroma and a high-sensitivity wide-target analysis of trace components in a single analysis, without carrying out complicated operations, by simultaneous scan/MRM measurement combining the GCMSTQ8040 RX and the Smart Aroma Database. This article also demonstrated that use of the Multi-Mode Injection Unit (MMI) enables measurements in the thermal desorption (TD) mode without using dedicated TD instrumentation, and also allows a flexible response in case of budgetary or installation space limitations. A comprehensive aroma evaluation based on this approach will facilitate the discovery of important aroma components that were easily overlooked in the past, and is expected to make important contributions to product development and quality control in the food and beverage industries.</p><h3><strong>3. Thermo Fisher Scientific: Implementing EPA OTM-50 for PFAS destruction monitoring by TD-GC-MS/MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_004773_gc_td_gc_ms_epa_otm_50_pfas_an04773_na_en_99fd5fc528.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Per- and polyfluoroalkyl substances are used across a broad range of industrial and consumer applications. As PFAS-containing materials are treated or destroyed, incomplete decomposition can generate volatile fluorinated compounds, including short-chain and ultra-volatile species. These volatile compounds are important because they may provide evidence of incomplete mineralization once emitted from stationary sources.</p><p>EPA OTM-50 was developed to provide a consistent approach for collecting and quantitatively analyzing target VFCs from emissions originating from known industrial products with incomplete thermal destruction. The EPA method uses passivated stainlesssteel canisters followed by GC-MS analysis and is applicable to gas samples collected from industrial source ducts, vents, stacks, and related emission points.&nbsp;</p><p>The method is performance-based, allowing laboratories flexibility in GC column selection, GC conditions, and MS conditions, provided that GC-MS remains the basis for separation and quantitation and the required performance criteria are met. This flexibility is important because OTM-50 analytes span a challenging volatility range and may occur in complex matrices containing CO2 , water vapor, acid gases, and other volatile organic compounds.&nbsp;</p><p>Gas chromatography-based approaches are well suited to volatile and neutral fluorinated compounds. Thermal desorption enables preconcentration of trace-level analytes from air samples, improving sensitivity and enabling detection at relevant levels for environmental studies.&nbsp;</p><p>This application note describes implementation of EPA OTM-50 using cryogen-free thermal desorption coupled to triple quadrupole GC-MS/MS. The workflow addresses key analytical challenges: trapping ultra-volatile compounds such as CF4 , managing high levels of CO2 and humidity, achieving sub-ppbv sensitivity, and maintaining repeatable quantitative performance in support of PFAS destruction monitoring.</p><h4><strong>Experimental&nbsp;</strong></h4><h5><strong>Instrument configuration&nbsp;</strong></h5><p>The analytical system consisted of a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=6&amp;search=UNITY-Kori-CIA"><strong>Markes UNITY</strong></a><strong>-Kori-CIA Advantage HL-xr thermal desorption system</strong> coupled to a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/485"><strong>TSQ 9610 Triple Quadrupole GC-MS/MS</strong></a> equipped with a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=3&amp;search=nevervent"><strong>Thermo Scientific™ NeverVent™ AEI Ion Source</strong></a> (Figure 1). The Markes thermal desorber configuration included cryogen-free focusing, controlled canister introduction, and water and CO2 management strategies.</p><h4><strong>Conclusions&nbsp;</strong></h4><p>This work demonstrates implementation of EPA OTM-50 using thermal desorption coupled to triple quadrupole GC-MS/MS for the analysis of volatile fluorinated compounds in air, with solutions helping to solve key analytical challenges for this type of analysis.&nbsp;</p><ul><li><strong>Alignment with EPA OTM-50 scope:</strong> supports canisterbased analysis of VFCs emitted from stationary sources, including compounds associated with incomplete PFAS destruction.&nbsp;</li><li><strong>Cryogen-free preconcentration:</strong> enables practical trapping and transfer of volatile analytes without reliance on liquid cryogens, reducing operational complexity.&nbsp;</li><li><strong>Improved selectivity through MS/MS: </strong>SRM acquisition on the TSQ 9610 Triple Quadrupole GC-MS/MS improves confidence in target identification and quantitation in complex emission matrices.&nbsp;</li><li><strong>Dual-method strategy for broad volatility coverage:</strong> separate sample volumes for CF4 and the remaining VFCs enable analysis across the challenging OTM-50 volatility range.&nbsp;</li><li><strong>CO2 and humidity management:</strong> controlled dilution, selective trap purging, and Kori-xr water management address two of the most significant matrix challenges in stationary source emissions.&nbsp;</li><li><strong>Robust quantitative performance: </strong>calibration across 0.1–100 ppbv (0.125–50 ppbv for CF4 ) showed R2 ≥ 0.998 for reported compounds or &lt; 20% RSD for Average Response Factor, with pptv MDLs and repeatability generally consistent with OTM-50 precision expectations.&nbsp;</li><li><strong>Industrial relevance: </strong>the workflow supports chemical manufacturing, PFAS treatment, and waste management facilities seeking defensible data to evaluate destruction efficiency and identify products of incomplete destruction.&nbsp;</li></ul><p>Overall, the combination of Markes thermal desorption technology with the Thermo Scientific TSQ 9610 Triple Quadrupole GC-MS/MS provides a practical, selective, and robust analytical approach for laboratories implementing EPA OTM-50 for volatile PFAS and VFC monitoring in air.</p><h3><strong>4. Waters Corporation: Analysis of Polybrominated Diphenyl Ether Flame Retardants in Environmental Matrices Using Atmospheric Pressure Chemical Ionization GC-MS/MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/720009524_en_58a948f96a.pdf"><strong>Full PDF for download</strong></a></li></ul><h4><strong>Benefits&nbsp;</strong></h4><ul><li>The performance of atmospheric pressure gas chromatography (APGC ™) on Xevo™ TQ Absolute Mass Spectrometer for the analysis of PBDEs is equal-to or better-than traditional analysis using electron impact magnetic sector making it well suited for use in the most challenging regulatory and standard methods.</li><li>The ability of APGC to tolerate high carrier gas flow helps improve method performance for the most challenging members of this class inlcuding BDE 209 which reduces the need for maintenance and reanalysis of samples.</li><li>Operator training is reduced to weeks from months through conversion of the method from a magnetic sector to tandem quadrupole mass spectrometer.</li><li>Use of a single, inexpensive, readily available gas for chromatographic separation, ionization and MS/MS fragmentation provides a simpler, more sustainable system.</li></ul><p>With the 2001 signing of the Stockholm Convention, the stage was set for global harmonization of efforts to monitor for POPs in the environment.1 By 2004, when countries began implementing the convention, measures aimed at reducing or eliminating intentional and unintentional release of POPs into the environment were supported by annexes that defined the different chemical classes of highest interest which included PBDEs. To date, 185 states plus the European Union have joined in this effort which includes requirements for monitoring for POPs in multiple environmental matrices. Because the implications of unintentional or intentional noncompliance may be subject to enforcement action, high confidence data is needed to support surveillance and reporting efforts. Furthermore, high sensitivity analysis is required due to the possibility of steadily increasing trace levels of PBDEs across years of time through transport in the environment that tends to increase concentrations of persistent organic pollutants such as these in cooler Arctic regions of the globe through the grasshopper effect.2 These requirements initially led to the development of gas chromatography electron ionization high resolution magnetic sector based analytical methods. The performance of EI GC-HRMS in the hands of a well-trained operator and a lab with rigorous quality control procedures has proven to provide the sensitivity and specificity required of the forensic data used in legal actions, for compliance reporting and for providing the greatest protection to populations and the environment.&nbsp;</p><p>However, GC-HRMS has several limitations, including extensive education and training requirements, slow acquisition speeds, and significant laboratory space demands. In contrast, more modern techniques such as tandem quadrupole (TQ) mass spectrometry (MS/MS) offer broad improvements in these areas. Additionally, limitations imposed by EI such as frequent source maintenance and shortcomings caused by carrier gases other than helium hamper this time-honored technique. The more recent combination of APCI with TQ has demonstrated promise in overcoming these limitations while providing data of equivalent confidence to EI GCHRMS.&nbsp;</p><p>After having been deployed in many labs, GC-APCI has continued to contribute to the study of PBDEs in multiple matrices and applications. An evaluation of the first generation of GC-APCI MS/MS, analyzing PBDEs in marine and food samples, reported higher response for higher brominated (Br8-10) congeners than GC-EI-HRMS.3 Later work reported GC-APCI MS/MS LODs comparable or better than EI MS/MS for plasma extracts.4 Recent work reported on the use of GC-APCI HRMS (QTof) as part of the continuation of a 20 year study analyzing aquatic organisms to evaluate environmental PBDE trends.5 In this work, 24 PBDEs plus hexabromobiphenyl were analyzed on a XevoTM TQ Absolute Tandem Quadrupole Mass Spectrometer using the APGC ionization source.</p><h4><strong>Experimental</strong></h4><ul><li><strong>GC system: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=8890"><strong>8890 (Agilent Technologies, Inc.)&nbsp;</strong></a></li><li><strong>Column: </strong>Rtx®-1614, 15 m x 0.25 mm ID x 0.10 µm film (Restek Corporation)</li><li><strong>MS system: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/554"><strong>Xevo TQ Absolute Mass Spectrometer</strong></a></li><li><strong>Software: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1544"><strong>waters_connect™</strong></a> for Quantitation Software</li></ul><h4><strong>Conclusions&nbsp;</strong></h4><p>An all-nitrogen configuration for APGC on Xevo TQ Absolute Mass Spectrometer was successfully applied to the analysis of PBDEs in environmental matrices by adapting a reference method previously used on magnetic sector EI GC-HRMS. All performance criteria were equal-to or better-than those typically achieved by magnetic sector which demonstrates feasibility of GC-APCI MS/MS as an alternative for the most challenging regulatory and standard analytical methods. Furthermore, the change from a vacuum source to the atmospheric ionization source makes the use of high nitrogen carrier gas flow practical which has advantages for operating cost versus helium while achieving similar chromatographic separation and sensitivity. The move to tandem quadrupole mass spectrometry from high resolution mass spectrometry updates the method for improved performance measures such as higher acquisition speeds and high specificity MS/MS while also requiring reduced training time and expertise as compared with magnetic sectors.</p></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 35, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 14th September 2026? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application note by <strong>Agilent Technologies, </strong>poster<strong> </strong>by <strong>Shimadzu / AOAC </strong>and brochure by<strong> Thermo Fisher Scientific!</strong></p><h3><strong>1. Agilent Technologies: Analysis of Ethylene Glycol and Diethylene Glycol in Oral Syrup Containing Glycerin</strong></h3><p><strong>Using the Agilent 8890 GC system coupled with the Agilent 5977C GC/MSD</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_glycol_analysis_gc_ms_5994_9411en_agilent_e9dfb856ce.pdf"><strong>Full PDF for download</strong></a></li></ul><section><div><div><div><div><div><div><p>This study demonstrates the use of an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=8890"><strong>Agilent 8890 GC system</strong></a> coupled with the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=10&amp;search=5977C"><strong>Agilent 5977C single quadrupole GC/MSD</strong></a> to detect and quantify ethylene glycol (EG) and diethylene glycol (DEG) in oral syrups containing glycerin per United States Food and Drug Administration (USFDA) recommendations.1 Samples were extracted using methanol, filtered through nylon filters, then followed by GC/MS analysis. Instrument Limit of Quantification (iLOQ) of 0.1&nbsp;ppm was achieved using internal standard calibration. A solvent-based calibration range was established from 0.1 to 4&nbsp;ppm.</p><h4><strong>Experimental</strong></h4><h5><strong>GC parameters</strong></h5><ul><li><strong>Inlet Temperature: </strong>240&nbsp;°C&nbsp;</li><li><strong>Analytical Column: </strong>DB-WAX GC column, 30&nbsp;m × 0.25&nbsp;mm, 0.50&nbsp;µm&nbsp;</li><li><strong>Injection Volume:</strong> 1&nbsp;µL&nbsp;</li><li><strong>Column Flow: </strong>Helium; 1.0&nbsp;mL/min, constant flow&nbsp;</li><li><strong>Injection Mode: </strong>Split (20:1)&nbsp;</li><li><strong>Oven Program:</strong> Start at 130&nbsp;°C (hold for 4&nbsp;min), ramp at 17&nbsp;°C/min to 195&nbsp;°C (hold for 4&nbsp;min), then at 35&nbsp;°C/min to 240&nbsp;°C (hold for 4&nbsp;min).&nbsp;</li><li><strong>MS Transfer Line Temperature: </strong>240&nbsp;°C&nbsp;</li></ul><h5><strong>MS Parameters&nbsp;</strong></h5><ul><li><strong>SIM Ions:</strong> 31, 33, 43, 75, 113&nbsp;</li><li><strong>Ion Source Temperature: </strong>230&nbsp;°C&nbsp;</li><li><strong>Quadrupole Temperature (Q1 and Q2):</strong> 150&nbsp;°C</li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>A sensitive and robust method was optimized for analysis of EG and DEG in oral syrups containing glycerin. The method uses an internal standard calibration using 2,2,2-trichloroethanol. Instrument LOQ was established at 0.1&nbsp;ppm level for both EG and DEG. This method meets the requirements per US FDA recommendations for EG and DEG testing.1 Therefore, this study demonstrates the usefulness of the developed method for routine analysis of oral syrup samples for EG and DEG analysis using GC/MS.</p><h3><strong>2. Shimadzu / AOAC: Investigation of Varietal Classification Method for Coffee Beans Using Aroma Compounds</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/aoac_2026_17_e6687812af.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Common coffee bean species are broadly classified into two types: Coffea arabica (Arabica) and Coffea canephora (Robusta). Among them, Arabica is superior in flavor and is highly favored as a specialty beverage. However, in recent years, there have been multiple reports of products sold claiming to be 100% Arabica while being adulterated with Robusta1) . A reported method for discriminating between the two is the analysis of lipophilic extracts of coffee beans using a benchtop NMR spectrometer1) . This method uses 16- O-Methylcafestol, which is present in Robusta but almost undetectable in Arabica, as a marker. However, it requires complicated pretreatment such as extraction and concentration. Therefore, in this Application News, we investigated a method to discriminate between Arabica and Robusta more easily and rapidly using GC-MS/MS and the statistical analysis software eMSTAT Solution.</p><h4><strong>Methods</strong></h4><h5><strong>Analytical Methods&nbsp;</strong></h5><p>Volatile compounds were concentrated and introduced into the GC-MS using the HS-SPME method and then analyzed under the conditions registered in the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=1&amp;search=Smart+Aroma+Database"><strong>GCMS(/MS) Smart Aroma Database</strong> </a>(Table 2). The <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=1&amp;search=GCMS-TQTM8040+NX"><strong>GCMS-TQTM8040 NX</strong></a> and the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/gcms/library?mainauthorItems=1&amp;search=AOC-6000"><strong>AOC-6000 multifunctional autosampler</strong></a><strong> </strong>system were used as the analytical instruments (Fig. 1). To verify whether rapid analysis is possible, a temperature ramp of 10˚C/min was adopted, and a low-polarity column was used to obtain stable retention times for each compound. Data acquisition was performed in Scan mode or MRM mode, and each sample was analyzed three times.</p><h4><strong>Conclusions&nbsp;</strong></h4><ul><li><strong>Clear Group Separation:</strong> Statistical analysis (PCA and cluster analysis) of data acquired in highly sensitive MRM mode clearly separated the two coffee bean types into distinct groups.&nbsp;</li><li><strong>Successful Discrimination:</strong> Our investigation suggested that the discrimination of Arabica and Robusta coffee beans based on aroma compounds is possible using the GCMS-TQ8040 NX, the Smart Aroma Database, and eMSTAT Solution.&nbsp;</li><li><strong>Intuitive and Comprehensive Workflow:</strong> Using eMSTAT Solution, statistical analysis and the creation of discrimination models can be easily performed without advanced expertise. Additionally, this method provides a comprehensive workflow that allows for the qualitative identification of key compounds contributing significantly to the discrimination</li></ul><h3><strong>3. Thermo Fisher Scientific: On-site gas analysis for ABO Thermo Scientific Antaris FTIR Aviator’s Breathing Oxygen (ABO) Gas Analysis System</strong></h3><ul><li>Brochure</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/on_site_gas_analysis_for_abo_br1828_en_4c3b71b244.pdf"><strong>Full PDF for download</strong></a></li></ul><p>The <strong>Thermo Scientific™ Antaris™ FTIR Aviator’s Breathing Oxygen (ABO) Gas Analysis System</strong> is a rugged, portable system that enables rapid validation of the compressed oxygen used by pilots and crew during flight operations. Use of sophisticated FTIR spectroscopic analysis enables detection of common contaminants that may be present due to the manufacturing process— contaminants such as methane, acetylene, and CFC/HCFC can be readily spotted and identified. The instrument’s sturdy design and FTIR spectroscopy’s ability to quantify multiple compounds in a single analysis make the Antaris ABO Analyzer a robust, readily deployable solution for validating the quality of aviator breathing oxygen.</p><h4><strong>Antaris FTIR Aviator’s Breathing Oxygen (ABO) Analyzer at a glance:</strong></h4><ul><li><strong>Components measured:</strong> Up to 25 components can be measured simultaneously, including freons, hydrocarbons, carbon monoxide, and carbon dioxide&nbsp;</li><li><strong>Sample type:</strong> Gas&nbsp;</li><li><strong>Dimensions:</strong> 51 in. (H) x 30.25 in. (W) x 41.5 in. (D)&nbsp;</li><li><strong>Weight:</strong> 240 kg&nbsp;</li><li><strong>Optional accessories:</strong> Purge gas generator, uninterruptible power supply, oxygen analyzer&nbsp;</li><li><strong>Voltage: </strong>120/240V</li></ul></div></div></div></div></div></div></section>

News from LabRulezGCMS Library - Week 38, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 14th September 2026? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Agilent Technologies </strong>and <strong>Waters Corporation </strong>and posters by <strong>Shimadzu / AOAC </strong>and<strong> Thermo Fisher Scientific / Metabolomics!</strong></p><h3><strong>1. Agilent Technologies: Improved Analysis of Intact Proteins and Peptides by Reversed Phase HPLC Using the Altura Ultra Inert PLRP-S 1000 Å Column</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_altura_ultrainert_column_HPLC_analysis_5994_9322en_agilent_2b3a542647.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Intact protein analysis by reversed-phase HPLC (RP-LC) plays a vital role in quality control for determining the purity of biotherapeutic proteins and improving the identification and quantification of critical quality attributes (CQAs). When coupled to mass spectrometric detection, it allows several things. First, an accurate molecular weight to be determined; second, the identification of variants containing post‑translational modifications (PTMs) and proteoforms; and third, the antibody-to-drug ratio in the case of antibody drug conjugates (ADCs).<sup>1</sup>&nbsp;</p><p>While many RP columns have a silica-based stationary phase to enable broader functionalization, residual acidic silanol groups can interact with basic residues in peptides, proteins, and other biomolecules, resulting in significant peak tailing and loss of chromatographic performance. Polystyrene/divinyl benzene (PS/DVB)-based stationary phases do not contain unintentional adsorption sites. Additionally, larger pore sizes have demonstrated superior chromatographic efficiency through less diffusion restriction into the pore volume and reduction of size exclusion mechanisms, degrading the RP-based selectivity.<sup>2</sup>&nbsp;</p><p>Wide-pore columns like the PLRP-S 1000Å provide an exceptional performance with biomolecules, particularly when combined with MS-compatible mobile phase conditions such as formic acid.&nbsp;</p><p>Even so, some undesirable interactions may be observed when using stainless-steel column hardware. Molecules that possess multiple negative charges (including oligonucleotides, phosphorylated peptides and proteins, and proteins with low isoelectric point in general) may interact with exposed metal ions in stainless-steel column hardware. This can result in the need to "deactivate" new columns by making multiple injections of sample until reproducible results are obtained.&nbsp;</p><p>This application note demonstrates how the new <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=10&amp;search=Altura+Ultra+Inert"><strong>Altura Ultra Inert </strong></a>PLRP-S 1000 Å column serves as an effective high-performance workhorse in the analysis of large, intact biomolecules. Developed to effectively block nonspecific adsorption during separations, Ultra Inert technology reduced passivation time 15-fold and delivered ~ 10% greater recovery for mAbs and ADCs and up to 100% for smaller biomolecules like GLP-1s and small globular proteins.</p><h4><strong>Experimental</strong></h4><h5><strong>Instrumentation&nbsp;</strong></h5><ul><li>Agilent 1290 Multicolumn thermostat (G7116B)&nbsp;</li><li>Agilent 1290 Bio multisampler (G7137A)&nbsp;</li><li>Agilent 1290 Bio high-speed pump (G7132A)&nbsp;</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=10&amp;search=6530"><strong>Agilent 6530 Q-TOF MS system</strong></a>&nbsp;</li></ul><h5><strong>Software and data processing&nbsp;</strong></h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=10&amp;search=MassHunter+Workstation"><strong>Agilent MassHunter Workstation, version 10.1&nbsp;</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=10&amp;search=MassHunter+Qualitative+Analysis"><strong>Agilent MassHunter Qualitative Analysis software, version&nbsp;B.07&nbsp;</strong></a></li><li>Agilent DAR calculator, version B01.01</li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>Intact mass analysis is a critical methodology to determine the purity of biotherapeutics, but due to the chemical complexity of these analytes, nonspecific adsorption from both silica stationary phase and metal column housing can be highly deleterious to separation performance. The Agilent Altura PLRP-S 1000 Å provides a highly robust solution combining the chemical inertness of polystyrene/divinyl benzene stationary phase with the ultra‑inert Altura hardware to dramatically reduce deleterious peak tailing and increase recovery for biotherapeutics. Herein, we see that analyte recovery for both mAbs, ADCs, GLP-1s, and globular proteins are improved versus stainless-steel, while the Altura PLRP-S column is capable of monitoring both quality critical PTMs such as loss of drug payload as well as accurate quantification of ADC DAR.</p><h3><strong>2. Shimadzu / AOAC: Ambient Ionization Mass Spectrometric Detection of Aroma Released During Gummy Chewing</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/aoac_2026_47_2_34c41f762f.pdf"><strong>Full PDF for download</strong></a></li></ul><p>In recent years, there has been growing interest in evaluating flavor using analytical instrumentation, and retronasal aroma during eating is important. In this study, we proposed an analytical method for measuring retronasal aroma during eating using a single quadrupole mass spectrometer (<a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=1&amp;search=2050"><strong>LCMS-2050</strong></a>) equipped with an ambient ion source (Dark Current Discharge Ionization : DCDI) without pretreatment.</p><h4><strong>Conclusion</strong></h4><p>We developed a simple method for evaluating retronasal aroma using a single quadrupole mass spectrometer with an ambient ionization source. Ambient ionization mass spectrometry (DCDI LCMS-2050) can rapidly measure retronasal aroma during eating. Time-resolved visualization reveals texture-dependent differences in aroma release dynamics among grape-flavored gummies. It is also expected to lead to the visualization of the marriage between food and alcohol. This approach may facilitate objective evaluation of flavor release during consumption and support product formulation and sensory science.</p><h3><strong>3. Thermo Fisher Scientific / Metabolomics: Orbitrap Tribrid Real-Time similarity searching of mzCloud library for guided unknown characterization of tea metabolites</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/po_004849_lsms_rtls_tribrid_apex_small_molecule_metabolomics_po004849_na_en_d0d3156065.pdf"><strong>Full PDF for download</strong></a></li></ul><p>In metabolomics LC-MS data is processed to generate a list of detected compounds with a level of confidence in the identity of each compound based on reference data. This reference data may be spectral data and/or retention time information stored in a library or in silico information generated based on fragmentation rules. These annotated compounds are then used to evaluate biological changes between normal and disease states. One of the major hurdles between collected data and coming to reliable conclusions about the biology is the limited number of standards available to build these libraries. It is common to have hundreds to thousands of compounds detected in a data set that have no library match because there is no commercial standard for that unknown. Instead, there is just an elemental formula and matches from a structure database. These structures can be compared using in silico fragmentation techniques to determine which isomers plausibly match the data. MSn data can help reduce the list of possible matches, but without guidance, ddMS3 may not consistently collect data on the most relevant MS2 fragments to accomplish this.&nbsp;</p><p>In this work we use Real-Time Library Search (RTLS) in a ddMS3 method to help guide the instrument in real time to collect the most relevant data for confirming structural matches.</p><h4><strong>Materials and methods</strong></h4><h5><strong>Test method(s)&nbsp;</strong></h5><p>1 μL aliquots were analyzed using a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/products?category=48&amp;manufacturerItems=3&amp;search=gold"><strong>Thermo Scientific Hypersil GOLD column</strong></a> on a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/744"><strong>Thermo Scientific Vanquish Horizon UHPLC</strong></a><strong> </strong>coupled with a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/561"><strong>Thermo Scientific Orbitrap IQ-X Tribrid mass spectrometer</strong></a> and <strong>Thermo Scientific Orbitrap Tribrid Apex Small Molecule mass spectrometer</strong>. RTLS was run in similarity mode using the offline version of <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1764"><strong>Thermo Scientific mzCloud library</strong></a>.&nbsp;</p><h5><strong>Data analysis&nbsp;</strong></h5><p>Data was processed using <strong>Thermo Scientific Freestyle and </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1759"><strong>Compound Discoverer software</strong></a><strong>.</strong></p><h4><strong>Conclusions&nbsp;</strong></h4><p>Tea extracts were analyzed using RTLS to find the most similar compound in the offline version of the mzCloud library and trigger MS3 on the highest m/z matching and non-matching fragments. This provided additional information to confirm similarity and provide insight on shared sub-structures to the library compound as well as additional information on the portions of the structure that were unique to the experimental compound.</p><h3><strong>4. Waters Corporation: The Quantification of Glucagon-like Peptide Receptor Agonists (GLP-1 RAs) in Plasma Extracts Using Capillary UHPLC-MS/MS</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/720009537_en_0068921516.pdf"><strong>Full PDF for download</strong></a></li></ul><div><div><section><div><div><div><div><div><div><h5><strong>Benefits&nbsp;</strong></h5><ul><li>10-fold improvement in sensitivity&nbsp;</li><li>Robust methodology for &gt;500 injections&nbsp;</li><li>Reduced solvent usage&nbsp;</li><li>No need for complex nanospray MS source</li></ul><p>Obesity represents, perhaps, the largest healthcare challenge, affecting approximately 1.3 billion people globally, contributing to a diverse range of chronic diseases e.g., metabolic, cardiovascular, muscular skeletal, and multiple cancers.1 The rapid growth of obesity and associated global healthcare costs means there is a critical need for safe effective treatments.2 GLP-1 RA initially developed for type 2 diabetes have shown clinical efficacy as weight loss medicines.2 These drugs mimic the action of gut hormones which regulate energy metabolism and appetite by interacting with the hypothalamus, brain stem etc., resulting in weight loss. The success of these GLP-1 RAs is associated with their on-target efficacy and long duration of action,3 e.g., half-life of semaglutide t½ = 160–180 hours3 cf. 1–2 minutes for human GLP-1.4 The long half-life of these GLP-1 RAs results in low, sub ng/mL plasma levels 48–72 hours after dosing, which requires a high sensitivity bioanalytical assay to accurately quantify the plasma concentrations5 and define the PK elimination phase.&nbsp;</p><p>Tandem quadrupole electrospray ionization (ESI) mass spectrometry, operated in multiple reaction monitoring (MRM) mode, coupled with 2.1 mm ID ultra-high performance liquid chromatography (UHPLC) is the dominant technology platform for quantitative bioanalysis. As next generation GIP/GLP-1 RAs promise to be more potent, resulting in lower dosing levels and plasma levels, there is a need for more sensitive analytical methodologies to support drug metabolism and pharmacokinetics (DMPK) studies. Capillary/nano LC-MS/MS have been extensively employed in proteomics to increase analytical sensitivity and enable small volume analysis.5 This sensitivity increase is derived from a combination of the superior ionization efficiency at low flow rates and analyte concentration due to the smaller column geometry.6 This application note illustrates the use of capillary (300 µm) UHPLC-MS/MS (MRM) to affect 10-fold improvement in GLP-1-RAs peak response in human plasma extracts, and detection limits as low as 20 pg/mL for tirzepatide.</p><h4><strong>Experimental</strong></h4><p>Capillary chromatography was performed on an <strong>ACQUITY™ M-class Chromatography System</strong> connected to a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/195"><strong>Xevo™ TQ-XS Mass Spectrometer</strong></a> (Waters Corporation, Wilmslow, UK) equipped with a microflow probe. Capillary UHPLC separations were performed on an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1952"><strong>ACQUITY Premier Peptide CSH C18</strong></a>, 300 Å, 1.7 µm, 300 µm x 50 mm Chromatography Column.</p><p>MS analysis was performed at unit mass resolution using positive ESI at a capillary voltage of 3.0 kV, with a cone voltage of 32 V. The cone gas flow, desolvation gas flow, and desolvation gas temperature were 50 L/h, 300 L/h and 600 °C, respectively. The data were analyzed using <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1544"><strong>waters_connect™ Software</strong></a><strong>,</strong> and MRM transitions used to monitored for the MS/MS detection of liraglutide, exenatide, semaglutide and tirzepatide were as follows: liraglutide 938.7 → 1128.4, exenatide 838 → 396, semaglutide 1029.2 → 1238.1, and tirzepatide 1204.2 → 396.2. Data analysis was performed using <strong>MS Quan Software.</strong></p><h4><strong>Conclusion</strong></h4><p>Bioanalysis plays a critical role in the drug discovery and development processes providing data to support DMPK, safety assessment, pharmacokinetics/pharmacodynamics (PK/PD), and clinical development studies. The development of new, more potent medicines, innovating delivery platforms, micro sampling, and new approach methodologies (e.g., organ on a chip) all require greater levels of analytical sensitivity. Capillary scale UHPLCMS/MS offers the potential to improve bioanalytical detection limits up to 10-fold, without the need for long analysis times and complex operation associated with nano spray LC-MS/MS. Here, the application of capillary (300 µm ID) scale chromatography for the detection of GLP-1 RAs in human plasma extracts at levels as low as 20 pg/mL with robustness over 500 injections was demonstrated.</p></div></div></div></div></div></div></section></div></div>

News from LabRulezLCMS Library - Week 38, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 14th September 2026? Check out new documents from the field of spectroscopy/spectrometry and related techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> libraries.</p></blockquote><p>This week we bring you technical note by <strong>Agilent Technologies, </strong>application notes by<strong> Metrohm </strong>and <strong>Thermo Fisher Scientific </strong>and poster by<strong> Shimadzu / AOAC!</strong></p><h3><strong>1. Agilent Technologies: Transitioning from the </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=10&amp;search=Cary+630"><strong>Agilent Cary 630 FTIR</strong></a><strong> to the </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=10&amp;search=Cary+635"><strong>Agilent Cary 635 FTIR Spectrometer</strong></a></h3><p><strong>Demonstrating methodology equivalence for pharmaceutical applications</strong></p><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/te_cary_630_ftir_transition_cary_635_ftir_5994_9408en_agilent_a2ea2ce512.pdf"><strong>Full PDF for download</strong></a><strong>&nbsp;</strong></li></ul><p>Fourier transform infrared (FTIR) spectroscopy is a powerful analytical tool used to analyze a wide variety of materials by interpreting their infrared (IR) wavenumber absorptions. Within pharmaceutical and biopharmaceutical industries, FTIR analysis is integral for material identification and quality assurance of pharmaceutical&nbsp;substances.&nbsp;</p><p>In the pharmaceutical industry, the Agilent Cary 630 FTIR is used for the identification of drug products, incoming goods, and packaging materials, as specified in global pharmacopoeias, and provides quantitative information such as the concentration of components within pharmaceutical formulations.&nbsp;</p><p>Agilent now presents the Cary 635 FTIR spectrometer—an ultracompact, easy-to-use, high-performing, portable FTIR system. With greater IR power, the Cary 635 FTIR features greater detection sensitivity and faster scanning times. With its predecessor's modular design, the Cary 635 FTIR can analyze the same samples with a newly enhanced performance quality and efficiency.&nbsp;</p><p>For users in the pharmaceutical industry who have experience with the Cary 630 FTIR, this technical overview demonstrates the common methodologies and workflows between the Cary 635 FTIR and Cary 630 FTIR spectrometers for pharmaceutical purposes. It will compare the ability of the two instruments to measure and label IR spectra, identify relevant compounds such as active pharmaceutical ingredients (APIs), and quantify substances within commercial&nbsp;formulations.</p><h4><strong>Instrumentation and software&nbsp;</strong></h4><p>For comparison, all three application tests were conducted using the Cary 630 FTIR and Cary 635 FTIR spectrometers with ZnSe optics and equipped with a single-reflection diamond attenuated total reflectance (ATR) accessory. The specific method parameters are outlined within each corresponding application. Both the Cary 635 FTIR and Cary 630 FTIR use Agilent MicroLab software, which provides step-by-step instructions with supporting images to guide users through the entire analytical workflow. Both spectrometers follow the same methods and operational procedures from sample loading to data processing (Figure 1). Results are presented in an easy-to-understand, color-coded format with customizable limits, ensuring a rapid and intuitive data review.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>The comparison presented here of both the Agilent Cary 635 FTIR and Cary 630 FTIR spectrometers demonstrated shared methodologies that produced consistent results across key applications within pharmacopoeia, including spectrum production, compound identification, and substance&nbsp;quantification. Featuring the same modularity, robustness, and ease of use as the Cary 630 FTIR, the Cary 635 FTIR also offers greater sensitivity and signal-to-noise ratio, resulting from an enhanced IR source intensity. Therefore, users operating in regulated environments can confidently upgrade to the Cary 635 FTIR with the understanding that the workflow from the Cary 630 FTIR is directly transferrable, and that their routine analyses will remain consistent and reliable.</p><h3><strong>2. Metrohm: Coconut water analysis by NIRS</strong></h3><p><strong>Determination of Brix, salinity, conductivity, and pH with one instrument</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_nir_145_download_05589da42d.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Fresh coconut water is the main edible part of the coconut (aside from the coconut meat) and has gained popularity as a health drink in recent years. Multiple factors influence the quality, such as harvesting time, growth location, and storage duration. This poses a challenge for industrial producers to achieve and maintain the desired product quality.&nbsp;</p><p>Testing the properties of coconut water with standard laboratory methods can be challenging, since trained lab personnel are needed. In contrast, near-infrared spectroscopy (NIRS) is fast, chemical-free, and does not require sample preparation. This Application Note explains how NIRS is used for the multiparameter analysis of coconut water. The NIRS solution is easy to use and can be implemented either atline or in a quality control lab.</p><h4><strong>EXPERIMENTAL EQUIPMENT&nbsp;</strong></h4><p>An <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=220&amp;search=OMNIS+NIR"><strong>OMNIS NIR Analyzer </strong></a>Liquid with a 1 mm flowthrough cell (Figure 1) was used to analyze 206 coconut samples from a commercial supplier. In this configuration, a peristaltic pump injects the sample into the flow-through cell, which is inserted into the cuvette holder. The cell is rinsed with water after each measurement.</p><h4><strong>CONCLUSION</strong></h4><p>This Application Note shows the feasibility of using NIR spectroscopy for the quality control of coconut water. The parameters Brix, conductivity, turbidity, pH value, and salinity can be monitored by NIRS in seconds without any sample preparation. The presented setup with a flow-through cell not only simplifies sample handling but also allows full automation when using an OMNIS Sample Robot. In addition to coconut water, the coconut fruit itself can also be analyzed using near-infrared spectroscopy.</p><h3><strong>3. Shimadzu / AOAC: Analysis of Heavy Metals in Baby Food Using ICP-MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/aoac_2026_46_d9c14b32e0.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Babies are more vulnerable to the effects of toxic metals, and baby food therefore requires careful testing. US and EU regulations1)–3) set limits for toxic metals in baby food. This study analyzed five baby foods using the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=1&amp;search=ICPMS-2040%2F2050"><strong>ICPMS-2040/2050</strong></a> and evaluated spike recovery and long-term stability.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>Elemental analysis of baby food was conducted using ICP-MS.&nbsp;</p><p>We achieved detection limits that met stringent standards. The spike recovery tests provided good results for all samples with different matrices, confirming the validity of the analysis. Additionally, we analyzed 50 samples of infant formula with a high matrix approximately six hours and confirmed good stability.</p><h3><strong>4. Thermo Fisher Scientific: Process Raman as a comprehensive solution for downstream buffer workflow</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/process_raman_as_comprehensive_solution_an1440_en_c8049b8ede.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Raman technology is rapidly gaining interest as a promising Process Analytical Technology (PAT) solution for real-time, non-invasive monitoring and control of downstream biopharma processes, especially for therapeutics like monoclonal antibodies (mAbs) and nucleic acids. Raman measurement, based on the vibration of molecular bonds, is highly specific for identification and quantification, even in complex or interfering matrices.&nbsp;</p><p>As an in-line PAT tool, Raman spectroscopy offers direct and rapid measurement in aqueous phases without sample preparation. These features make it ideal for monitoring and controlling dynamic processes such as downstream processing.</p><p>This study demonstrates a real-time methodology for accurately quantifying formulation excipients in the dynamic ultrafiltration/diafiltration (UF/DF) process using the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2233"><strong>Thermo Scientific™ MarqMetrix™ All-In-One Process Raman Analyzer</strong></a> (Figure 1). In addition, this study also illustrates a case where process Raman was able to provide real-time information on buffer quality.</p><h4><strong>Results&nbsp;</strong></h4><p>The Partial Least Squares (PLS) models for L-histidine, L-arginine, and sucrose were initially tested using seven independent samples collected on three different process Raman analyzers. Data were mathematically processed to standardize spectra across instruments before applying the models. All the spectra were interpolated to have a common x-axis by equally spacing the 2048 pixels across 60 to 3250 cm-1 Raman shift, followed by relative y-axis standardization using the SRM fluorescence data as described in the NIST standardization protocol.² Figure&nbsp;3 shows the correlation plot of predicted versus reference values for L-histidine, L-arginine, and sucrose for the validation samples. A correlation coefficient of over 95% and a root means square error (RMSE) of less than 5% of the reference value for calibration, cross-validation, and prediction across three instruments demonstrate the reliability of process Raman to accurately predict the concentrations of these excipients, as well as easy model transferability.</p><h4><strong>Conclusion</strong></h4><p>This work, combined with our previous demonstrations of accurate in-line protein quantification during UF/DF processes,⁷, ⁸ clearly highlights the value of process Raman for downstream process monitoring. Raman spectroscopy allows for the simultaneous measurement of multiple critical process parameters (CPPs) with a single scan. These findings establish process Raman as a PAT tool with unparalleled benefits compared to other analytical methods.&nbsp;</p><p>Simultaneous measurement of protein and excipient concentrations not only allows tighter process control but also opens opportunities for automating downstream processing.&nbsp;</p><p>The ability of process Raman to provide real-time insights into buffer quality before its use in UF/DF runs offers substantial value by preventing batch failures. This capability enhances quality control, making Raman spectroscopy an essential tool for integration as an in-line sensor to improve downstream process monitoring, control, and automation.</p>

News from LabRulezICPMS Library - Week 38, 2026

News from LabRulezGCMS Library - Week 39, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 21st September 2026? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>KNAUER </strong>and<strong> Shimadzu, </strong>technical note by <strong>Thermo Fisher Scientific </strong>and poster by <strong>Waters Corporation / SOFT!</strong></p><h3><strong>1. KNAUER: Precise Catechin Profiling in Various Types of Tea</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/VFD_0198_knauer_precise_catechin_profiling_in_various_types_of_tea_d607cde5ba.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Fresh tea leaves contain high concentrations of catechins, which have many beneficial properties. These include antioxidant, anti-inflammatory as well as antimicrobial effects, and it is even claimed that they have the potential to prevent cancer [1]. In addition, the taste and mouthfeel of a tea strongly depend on its catechin profile. The catechin content of tea leaves varies based on cultivation area, age and variety, as well as on how they are fermented, processed and packed. Therefore, the catechin content is an important marker for the quality of tea.&nbsp;</p><p>The analysis of catechins can be challenging. The structural similarity of the catechin isomers and other closely related compounds result in similar behavior and a difficult separation (Fig. 1). Catechins possess many phenolic hydroxyl groups, which are prone to secondary interactions, like hydrogen bonding. Classical as well as highly endcapped C18 columns offer only limited retention and selectivity for catechins. Therefore, the KNAUER column portfolio has been expanded to include a pentafluorophenyl (PFP)-modified stationary phase (<strong>Eurospher II 100-3 PFP column </strong>50 x 2 mm). It offers optimal separation of the catechins based on hydrophilic, hydrophobic and π-π-interactions. The column withstands acidic eluents (pH 1.5–10) as well as 100 % aqueous conditions, which are beneficial for the retention of hydrophilic compounds. The KNAUER Gradient Prediction Tool assisted with the challenging method development which is described in detail in the TechNote “The Gradient Prediction Tool: Method Development for the Separation of Catechins from Tea”. Here, the application of the optimized method for the identification and quantification of catechins in tea extracts is shown. The seven compounds specified in ISO-14502-2 (2005), as well as two additional catechins known as (+)-gallocatechin and (–)-gallocatechin gallate, were quantified.</p><h4><strong>MATERIAL AND METHODS</strong></h4><ul><li><strong>Pump: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2374"><strong>P8.1L</strong></a>; high pressure gradient&nbsp;</li><li><strong>Liquid Handler:</strong> <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1454"><strong>LH 8.1L </strong></a>With FastWash station, and Robotic cooler. Loop: 20 µl.</li><li><strong>Thermostat: </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2376"><strong>CT 2.1L&nbsp;</strong></a></li><li><strong>Detector:</strong> <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2424"><strong>DAD 6.1L&nbsp;</strong></a></li><li><strong>Flow cell: </strong>Analytical LightGuide flow cell (50 mm, 6 µl)&nbsp;</li><li><strong>Software:</strong> ClarityChrom 10.1</li></ul><h4><strong>CONCLUSION&nbsp;</strong></h4><p>The application note demonstrates the reliable separation and quantification of catechins and caffeine in tea extracts using the new KNAUER PFP column. Using an optimised gradient predicted with the KNAUER Gradient Prediction Tool, nine tea-related compounds were separated in under 23 minutes. The tested tea samples showed different catechin content highlighting how strongly tea composition depends on the product type and processing.</p><h3><strong>2. Shimadzu: New Derivatization Method for Quantitative Analysis of Δ⁹-THC-COOH in Urine</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_01_01215_en_c98174629b.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>The risk of limited availability of stable isotope-labeled standards can be avoided by synthesizing internal standards through derivatization.&nbsp;</li><li>The derivatizing agent IPPAH and its corresponding stable isotope IPPAH-d6 can be synthesized easily and inexpensively from acetone (or acetone-d6).&nbsp;</li><li>This approach achieves sufficient sensitivity and quantitative accuracy for the determination of Δ⁹-THC-COOH in urine.</li></ul><p>In Japan, the Cannabis Control Act and the Narcotics and Psychotropics Control Act were amended in December 2024. While cannabis was legalized for industrial and medical uses, stricter cannabis regulations have been enacted to prevent harm from its abuse. The primary psychoactive cannabinoid, delta-9-tetrahydrocannabinol (Δ⁹-THC), is extensively metabolized in the body and is excreted mainly in urine and feces as 11-nor-9-carboxy-THC (Δ⁹-THC-COOH) and its glucuronide conjugates. Consequently, Δ⁹-THC-COOH must be analyzed to confirm cannabis use. For LC-MS/MS quantitation, the stable isotope-labeled internal standard Δ⁹-THC-COOH-d3 is commonly used to correct for matrix effects. However, most suppliers of stable isotope standards are located in the U.S., making these standards difficult to obtain due to import procedures. Furthermore, there may be additional importrelated supply risks for stable isotope standards in the future.&nbsp;</p><p>This Application News describes a technique for quantitating Δ⁹-THC-COOH using an internal standard that is synthesized easily and inexpensively by derivatization with IPPAH (1- isopropylpiperidine carboxylic acid hydrazide), which characteristically reacts with carboxyl groups, and its corresponding stable isotope IPPAH-d6.</p><h4><strong>Analysis Conditions&nbsp;</strong></h4><p>LC-MS/MS analysis conditions are shown in Table 1. The <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=1&amp;search=Nexera+XR"><strong>Nexera XR</strong></a> and <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=1&amp;search=LCMS-8050"><strong>LCMS-8050 systems</strong></a> were used.</p><h4><strong>Conclusion&nbsp;</strong></h4><p>Derivatization with IPPAH and its stable isotope analog, IPPAHd6, enabled the simple and inexpensive preparation of an internal standard. This approach provides sufficient sensitivity and accuracy for the determination of Δ⁹-THC-COOH in urine. Most stable isotope-labeled standards are supplied by foreign manufacturers, creating a risk of delays or difficulties in procurement due to import/export regulations. By synthesizing the internal standard through derivatization, this risk can be minimized.</p><h3><strong>3. Thermo Fisher Scientific: High-throughput quantitative proteomics with Evosep Eno and the Orbitrap Astral Zoom Mass Spectrometer</strong></h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/tn_004544_ov_astralzoom_evosepeno_htp_proteomics_tn004544_na_en_f31db9084e.pdf"><strong>Full PDF for download</strong></a></li></ul><p>High-throughput proteomics is a critical enabling technology for large clinical studies, high-content drug screening, and systems biology research, allowing for comprehensive and quantitative analysis of complex proteomes across large sample cohorts within practical timeframes. As biological and translational studies expand in scale and complexity, the ability to generate deep and reproducible proteome measurements across thousands of samples has become increasingly essential for robust biomarker discovery, network-level systems modeling, and downstream analyses. In these contexts, accurate and precise protein quantitation must be maintained without sacrificing throughput, placing stringent demands on the performance and robustness of both LC instruments and mass spectrometers.&nbsp;</p><p>To meet these increasing analytical demands, the Evosep Eno was developed as a high‑throughput LC system that combines robustness, ease of use, and highly reproducible chromatography. It offers six standardized methods: 30, 60, 100, 200, 300, and 500 samples per day (SPD), allowing users to select the throughput that aligns best with their study goals.1 These predefined methods ensure consistent gradient delivery, highly stable retention times, and reproducible system performance across instruments and laboratories.2 By reducing LC‑related variability and simplifying everyday operation, the Evosep Eno offers a strong and consistent foundation for large‑scale proteomics workflows, particularly those relying on short gradients and high reproducibility required for downstream quantitative analysis.</p><h4><strong>Experiment</strong></h4><h5><strong>Instrumentation&nbsp;</strong></h5><ul><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=291&amp;search=evosep+eno"><strong>Evosep Eno&nbsp;</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1959"><strong>Orbitrap Astral Zoom Mass Spectrometer&nbsp;</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2464"><strong>Thermo Scientific™ EASY-Spray™ Ion Source&nbsp;</strong></a></li><li>Evosep™ Pod for EASY-Spray Ion Source</li></ul><h5><strong>Software&nbsp;</strong></h5><ul><li>Biognosys Spectronaut® 19.7 software&nbsp;</li><li>MacCoss Lab Software Skyline-Daily V25.1</li></ul><h4><strong>Summary&nbsp;</strong></h4><h5><strong>Seamless and easy integration for high-throughput proteomics&nbsp;</strong></h5><p>Evosep Eno integrates seamlessly with the Orbitrap Astral Zoom Mass Spectrometer, supported by EASY-Spray source-compatible columns, emitters, and the Evosep Pod column oven for a simple, streamlined, high-throughput workflow.&nbsp;</p><h5><strong>Deep proteome coverage at 500 SPD&nbsp;</strong></h5><p>Optimized MS parameters for the standard 500 SPD Evosep Eno gradient enabled identification of more than 6,500 protein groups and 71,000 modified peptides from three replicates of 200 ng Pierce HeLa Digest/PRTC Standard.</p><h5><strong>Reproducible quantitation across standard gradients&nbsp;</strong></h5><p>Across all standard Evosep Eno gradients, the workflow delivered highly reproducible label-free quantification, with median protein group %CVs at or below 5.2%, while identifying more than 10,500 protein groups and 190,000 modified peptides from five replicates of 200 ng Pierce HeLa Digest/PRTC Standard at 30 SPD.&nbsp;</p><h5><strong>Robust chromatography at ultra-high throughput&nbsp;</strong></h5><p>Chromatographic performance remained stable and robust at 500 SPD, with nearly 100 consecutive runs showing PRTC retention time standard deviations below 0.4 seconds and a median of 6 DPPP.&nbsp;</p><h5><strong>Strong linearity for confident quantitation&nbsp;</strong></h5><p>Quantitative performance remained strong at 500 SPD, with PRTC peptides showing excellent linearity across the active gradient (R² &gt;0.98) when spiked from attomolar to femtomolar concentrations.</p><h3><strong>4. Waters Corporation / SOFT: COMPARATIVE EVALUATION OF HIGH RESOLUTION MASS SPECTROMETRY ACQUISITION STRATEGIES FOR THE DETECTION AND ANALYSIS OF ILLICIT DRUG SUBSTANCES</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/720009592_0bd2b5ee6a.pdf"><strong>Full PDF for download</strong></a></li></ul><div><div><section><div><div><div><div><div><div><p>The poster compares two high-resolution time-of-flight mass spectrometry acquisition strategies for toxicology screening: targeted <strong>Tof-MRM</strong> and data-independent <strong>Tof-MSE</strong>, both implemented on a Waters <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1148"><strong>Xevo MRT MS</strong></a> coupled to an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/199"><strong>ACQUITY UPLC I-Class FTN PLUS System</strong></a>. The aim was to determine whether these approaches could meet routine service requirements for drug testing while also broadening the number of substances that can be detected beyond conventional targeted panels. Urine samples were prepared across a wide concentration range for 20 target analytes, and the methods were also applied to 20 anonymized authentic urine samples.</p><p>Both workflows used a 15-minute LC separation on an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1952"><strong>ACQUITY HSS C18 column</strong></a> under positive electrospray ionization. In the targeted Tof-MRM mode, selected precursor ions were isolated and fragmented, with quantifier and qualifier ions monitored for sensitive quantitative analysis. In contrast, Tof-MSE operated in a data-independent mode, alternating between low and elevated collision energies to collect accurate-mass precursor and fragment-ion information for a broad range of compounds. Data were processed in the waters_connect platform using MS Quan for Tof-MRM and UNIFI with the Waters Toxicology Library, containing more than 2,100 drugs and metabolites, for Tof-MSE.</p><p>The targeted Tof-MRM method provided the highest sensitivity, with limits of detection ranging from <strong>0.05 to 0.5 ng/mL</strong> in fortified urine. The broader Tof-MSE workflow achieved LODs of approximately <strong>0.5 to 5 ng/mL</strong>. When both strategies were applied to authentic urine samples, they showed excellent qualitative agreement. Importantly, Tof-MSE detected additional compounds outside the predefined target panel, including commonly encountered medications, benzodiazepines, antidepressants, and illicit drug substances that would not have been captured by the targeted method alone.</p><p>Overall, the study shows that Tof-MRM can deliver sensitivity comparable to conventional tandem-quadrupole LC-MS/MS for targeted urinary drug analysis, while Tof-MSE adds broader sample characterization and retrospective screening capability. Used together, the two acquisition strategies provide a flexible approach that combines sensitive quantification of predefined analytes with expanded screening for unexpected or previously untargeted drug substances in complex biological samples.</p></div></div></div></div></div></div></section></div></div>

News from LabRulezLCMS Library - Week 39, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 29th September 2026? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you technical note by <strong>KNAUER,</strong> application note by <strong>Shimadzu </strong>and posters by<strong> Thermo Fisher Scientific / HPLC Symposium </strong>and <strong>Waters Corporation / AOAC!</strong></p><h3><strong>1. KNAUER: Efficient separation of di(2-ethylhexyl) phthalate (DEHP) from oil matrices using GPC</strong></h3><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/VTN_00_XX_knauer_applichrom_gpc_f1d7f1a236.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Phthalates are chemical compounds primarily used as plasticizers in polymers to enhance the flexibility and elasticity of materials such as polyvinyl chloride (PVC) [1]. Since plasticizers are not covalently bound to the polymer chains, they have the potential to leach into the contacting media and contribute to contamination [2]. With the widespread and increasing use of plastic materials, the risk of phthalate release and human exposure continues to rise. As a result, and due to their potentially harmful effects on human health, phthalates have attracted growing scientific and regulatory attention in recent years [1]. Oil-rich food products can leach lipophilic phthalates from their packaging [3]. Throughout the production and packaging process, polymeric components such as tubing, containers, and caps may serve as potential sources of contamination. For the analysis of phthalates in such oil matrices, sample cleanup is an essential step. Gel permeation chromatography (GPC), based on sizeexclusion principles, is widely applied as an effective cleanup technique prior to subsequent analytical determination.</p><h4><strong>MATERIALS &amp; METHODS</strong></h4><p>The samples were dissolved in the eluent mixture and filtered through a 0.45 µm PTFE filter prior to analysis. For both olive oil and canola oil, an additional sample spiked with DEHP was prepared and likewise filtered before analysis. Chromatographic analysis was performed using an isocratic method with an eluent composition of ethyl acetate/heptane (50:50 v/v) at a flow rate of 1.0 mL/min. Detection was carried out by UV absorbance at 254 nm. The injection volume was 8 µL using a full-loop injection mode. The column temperature was maintained at 25°C. Separation was achieved on an <strong>AppliChrom® OleoSep column </strong>(10 µm, 300 × 8 mm). The <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1630"><strong>AZURA® Semi Preparative GPC System</strong></a> was used.</p><h4><strong>CONCLUSION</strong></h4><p>GPC sample preparation is an effective approach for separating phthalates from high-molecular-weight matrices such as edible oils. In this study, the successful separation of di(2-ethylhexyl) phthalate (DEHP) from three different oil samples was demonstrated. Based on these results, it can be assumed that other phthalates with lower molecular weights (&lt; 390 Da) can also be effectively separated under same conditions. The KNAUER AZURA® GPC semi preparative system (Fig. 4) in combination with the AppliChrom® OleoSep GPC column provides a robust and efficient setup for sample preparation in phthalate analysis, offering rapid separation, high resolution, and minimal solvent consumption due to the short analysis time.</p><h3><strong>2. Shimadzu: Analysis of Chloride and Sulfate Ions in Bioethanol Using the </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=1&amp;search=Nexera+IC"><strong>Nexera IC Ion Chromatograph</strong></a></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_01_01211_en_55cbf3e64f.pdf"><strong>Full PDF for download</strong></a></li></ul><h5><strong>User Benefits</strong></h5><ul><li>Analysis of chloride and sulfate ions in fuel ethanol can be conducted in accordance with ASTM D7319-221) .</li><li>Accurate quantitative determination, exhibiting excellent linearity and repeatability, can be achieved at concentration levels significantly below the limits specified by the ASTM criteria.</li></ul><p>First-generation bioethanol produced from raw materials such as corn and sugarcane has been utilized to achieve carbon neutrality. However, research and development for second-generation bioethanol produced from non-food, cellulose-based raw materials is also underway to avoid competition with food crops. In Japan, eight companies, including Toyota Motor Corporation, have formed the “Research Association of Biomass Innovation for Next Generation Automobile Fuels” (raBit) to advance research on next-generation bioethanol technologies. Shimadzu participates as a supporting member and promotes research and development through analytical technology cooperation.</p><p>&nbsp;It is known that the presence of chloride and sulfate ions in fuel ethanol can form engine residue, leading to reduced engine performance. ASTM D4806-252) specifies fuel ethanol quality as criterion of chloride ion must not exceed 6.7 mg/kg and that of sulfate ion must not exceed 4 mg/kg. ASTM D7319-22 includes test methods for chloride and sulfate ions in fuel ethanol using ion chromatography.&nbsp;</p><p>In this application, we present an example of the analysis of chloride and sulfate ions in bioethanol using the <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=1&amp;search=Nexera+IC"><strong>Nexera IC</strong></a> in accordance with ASTM D7319-22.</p><h4><strong>Conclusion</strong></h4><p>Chloride and sulfate ions in bioethanol were determined using a Nexera IC system in accordance with ASTM D7319-22. The method offers high sensitivity, linearity, and repeatability, enabling reliable quantification at concentrations well below ASTM-specified limits, thus supporting effective quality control and regulatory compliance of fuel ethanol.</p><h3><strong>3. Thermo Fisher Scientific / HPLC Symposium: LC-MS analysis of intact and subunit-level mAb enabled by a novel monodisperse supermacroporous reversed-phase platform</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/po_004763_ccs_surepac_protein_reverse_phase_mabs_separation_po004763_na_en_56199ec50d.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Monoclonal antibodies (mAbs) are structurally complex biotherapeutics that require multi-level analytical characterization to ensure product quality, safety, and efficacy. LC-MS analysis is routinely applied at the intact protein and subunit levels to assess molecular mass, heterogeneity, and structural integrity. Enzymatic subunit generation, such as IdeS digestion, enables targeted domain-level characterization while reducing analytical complexity compared to full peptide mapping. Achieving high-performance reversed-phase separations across intact and subunit-level workflows remains challenging, as chromatographic columns optimized for intact proteins often compromise performance of smaller subunits. Consequently, multiple columns are required to support comprehensive mAb characterization.&nbsp;</p><p>In this study, we evaluate a reversed-phase separation column based on a novel 2.5 μm monodisperse supermacroporous (SMP) polymeric stationary phase for unified LC-MS analysis of monoclonal antibodies under intact, reduced, and IdeSdigested conditions. The SMP resin’s uniform particle size and highly accessible pore structure enable efficient separation of both small and large analytes, including intact mAbs, reduced subunits (LC and HC), and IdeS-generated fragments such as scFc and F(ab′)₂. Using the SurePac Protein RP MDi column, baseline separation of these species was achieved within a 10- minute gradient, providing a fast, all-in-one LC-MS approach for mAb variant characterization.</p><h4><strong>Materials and methods</strong></h4><h5><strong>Instruments&nbsp;</strong></h5><p><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/744"><strong>Thermo Scientific Vanquish Horizon UHPLC system</strong></a>; <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/401"><strong>Thermo Scientific Orbitrap Exploris 480 mass spectrometer</strong></a> with <strong>Thermo Scientific OptaMax NG ion source</strong>.&nbsp;</p><h5><strong>Data analysis&nbsp;</strong></h5><p>The UHPLC system with mass spectrometer were operated with <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1758"><strong>Thermo Scientific Xcalibur 4.7 software</strong></a>. Full MS spectra of intact mAbs and mAb fragments were analyzed using Thermo Scientific Freestyle 1.8 and BioPharma Finder 5.4 software that utilizes the ReSpect and Xtract algorithms for molecular mass determination.</p><h4><strong>Conclusions&nbsp;</strong></h4><ul><li>A SurePac Protein RP column enabled a rapid (10 min) separation of mAb LC, HC, scFc, and F(ab′)₂ fragments, with major proteoforms identified by mass agreement.&nbsp;</li><li>The SurePac Protein RP column supports comprehensive intact and subunit-level mAb characterization in a single workflow, with strong separation performance across mAb fragments.</li></ul><h3><strong>4. Waters Corporation / AOAC: IMPROVED PURIFICATION OUTCOMES FOR PROBLEMATIC COMPOUNDS USING AN INERT COLUMN WITH POLAR SORBENT</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/720009616_AOAC_f65ea1b771.pdf"><strong>Full PDF for download</strong></a></li></ul><div><div><section><div><div><div><div><div><div><p>Whether the goal is to obtain enough intermediate for the next step in a synthetic scheme, to polish a final product, or to create a suitable standard for compound identification, preparative liquid chromatography remains a primary technique for isolating compounds from complex mixtures. Recovering the target compound at the desired purity and yield in the least amount of time is of utmost importance.&nbsp;</p><p>Polar targets that do not retain, or “sticky” compounds that seemingly disappear on the column are two groups that many consider to be ’problematic’ in purification. “Sticky” compounds, also known as non-specific adsorbers (NSAs), are metal-sensitive targets what can adsorb to positively charged metal surfaces in the LC system flow path and column, making them difficult to detect and collect effectively. Although other methods, such as column pre-conditioning, can be implemented for isolating compounds known to be interactive, this option can be time-consuming and lead to sample loss and excessive solvent waste.&nbsp;</p><p>Although lab scale purifications in which tens to hundreds of milligrams of target compound are isolated from crude mixtures are still performed routinely, the trend toward smaller scale purification is becoming more prevalent. Laboratories are increasingly opting to isolate only a few milligrams of target compound for preliminary studies. Successful target candidates are then isolated in greater amounts to satisfy ensuing experiments. Whether the objective is to isolate a small amount of target compound for exploratory studies, or to purify greater amounts for their use as reference standards, a column which can resolve eluting impurities efficiently is required.&nbsp;</p><p>Echinacea is an herbaceous flowering plant in the daisy family<sup>1,2</sup> and is one of the most important medical herbs widely used to treat the common cold and other infectious diseases.<sup>3</sup> One of the most abundant compounds in echinacea is chicoric acid (Figure 1), a phenylpropanoid and caffeic acid derivative.<sup>4,5</sup> In this scale-up study, chicoric acid, a suspected “sticky” target polar compound was isolated from a complex echinacea tea extract using two inert XSelect HSS T3 MaxPeak Premier OBD Columns with different particle sizes and dimensions (3.5 μm 10 x 100 mm and 5 μm 10 x 150 mm). The MaxPeak Premier OBD preparative HPLC columns are considered ’inert’ because they are enabled with Waters High Performance Surface (HPS) Technology. The chicoric acid isolated using the 3.5 μm column was of equivalent UV purity to the product isolated using the 5 μm column, with a 34% savings in run time. Smaller particle preparative isolations using columns with inert hardware are a practical option for those laboratories where reduced amounts of target are needed for projects conducted on accelerated timelines.</p><h4><strong>METHODS</strong></h4><ul><li><strong>Analytical Columns and flow rate:</strong> ACQUITY Premier HSS T3 and <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1952"><strong>ACQUITY UPLC HSS T3 Columns</strong></a>; 1.8 μm, 2.1x50 mm; 0.35 mL/min&nbsp;</li><li><strong>Prep Columns and flow rate:</strong> XSelect HSS T3 OBD Prep Column and XSelect Premier HSS T3 OBD Prep (custom) Columns, 5 μm, 10x150 mm; XSelect Premier HSS T3 OBD Prep Column, 3.5 μm, 10x100 mm; 5.4 mL/min</li></ul><h5><strong>Instrumentation&nbsp;</strong></h5><ul><li><strong>Analytical:</strong> <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/198"><strong>ACQUITY UPLC H-Class System</strong></a>; Quaternary Solvent Manager, Sample Manager FTN-H, Column Manager, TUV Detector, <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1543"><strong>ACQUITY QDa Detector&nbsp;</strong></a></li><li><strong>Prep:</strong> Waters AutoPurification System; 2545 Binary Gradient Module, 2767 Sample Manager, System Fluidics Organizer, 2998 Photodiode Array Detector</li></ul><h4><strong>CONCLUSIONS&nbsp;</strong></h4><ul><li>Chicoric acid was analyzed and isolated using analytical and preparative MaxPeak Premier HSS T3 Columns with inert surfaces, which increased the peak area and height for improved detection and collection.&nbsp;</li><li>Chicoric acid was successfully isolated using 3.5 and 5 μm XSelect Premier HSS T3 OBD Prep Columns and fraction pool analysis showed equivalent UV purity, which suggests the viability of incorporating small particle preparative chromatography into the purification workflow.&nbsp;</li><li>3.5 μm preparative columns improve purification process efficiency and promote sustainability by reducing method run time, solvent usage, and fraction lyophilization time.&nbsp;</li><li>Inert MaxPeak Premier column hardware, OBD Technology, and small particle preparative columns are well-suited for the demands of the purification laboratory when results must be generated efficiently to satisfy accelerated production timelines</li></ul></div></div></div></div></div></div></section></div></div>

News from LabRulezLCMS Library - Week 40, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 5th October 2026? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><strong>LabRulezICPMS</strong></a> libraries.</p></blockquote><p>This week we bring you application notes by <strong>Metrohm </strong>and posters by <strong>Shimadzu / ASMS, Thermo Fisher Scientific / Metabolomics </strong>and <strong>Waters Corporation / ASMS!</strong></p><h3><strong>1. Metrohm: Carbonate in lithium carbonate by potentiometric titration</strong></h3><p><strong>Determination of carbonate in lithium carbonate by potentiometric titration according to draft standard ISO 10662</strong></p><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/an_t_251_download_c1c530d784.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Lithium carbonate is one of the main lithium salts in cathode materials used for lithium-ion batteries. Accurate carbonate and overall purity determination in this raw material are essential because even trace impurities can affect key physicochemical properties, ultimately influencing electrochemical behavior in downstream applications. This is especially significant in battery-grade materials, where strict compositional tolerances are required to ensure consistent manufacturing performance, long-term cell stability, and overall safety. This Application Note describes carbonate content determination in lithium carbonate on an automated OMNIS system with Dis-Cover lids. The ISO 10662 draft method quantifies the main content of lithium carbonate to enable a precise assessment of material purity.</p><h4><strong>EXPERIMENTAL</strong></h4><p>The analysis is carried out on an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=220&amp;search=OMNIS+Titrator"><strong>OMNIS Advanced Titrator</strong> </a>with an <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=220&amp;search=OMNIS+Sample+Robot"><strong>OMNIS Sample Robot</strong></a> equipped with a dUnitrode and Dis-Cover lids (Figure 1). A blank analysis is performed with a start volume of hydrochloric acid and titrated until after the equivalence point. Samples are titrated with hydrochloric acid until after the second equivalence point.</p><h4><strong>CONCLUSION</strong></h4><p>The OMNIS Titrator and OMNIS Sample Robot with Dis-Cover lids provide a fast and reliable determination of carbonate in lithium carbonate according to draft standard ISO 10662. The OMNIS system can be expanded to other titration applications as required.</p><h3><strong>2. Shimadzu / ASMS: Comprehensive Untargeted Metabolomic Analysis from Five Stages of Blueberry Development by High Resolution Accurate Mass Spectrometry</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/MP_459_Comprehensive_Untargeted_Metabolomic_Analysis_from_Five_Stages_of_Blueberry_Development_by_High_Resolution_Accurate_Mass_Spectrometry_bc0aadf181.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Metabolomic studies of blueberry cultivars and growth stages have been conducted to identify optimal cultivation conditions maximizing antioxidant production. Many of these studies utilize reversed phase (RP) chromatography and target fragmentation data collection at the most abundant chemical species as observed by electrospray ionization mass spectrometry (ESI MS). However, this strategy may miss important metabolites suppressed by matrix effects or unfavorable ionization. A comprehensive untargeted metabolomic study was performed to determine how diverse chromatographic separation and multiple fragmentation strategies could impact the identification of additional metabolites. The expanded metabolomics data was used to assess differences across fruit developmental stages and determine if unique metabolomic populations could be identified between stages.</p><h4><strong>Methods</strong></h4><p>All samples were analyzed in triplicate and in a randomized order using a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=1&amp;search=nexera+hplc"><strong>Nexera HPLC</strong></a> and a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=1&amp;search=9050"><strong>Shimadzu LCMS-9050 Q-TOF</strong></a>. To maximize feature identification across the blueberry developmental stages, both RP and hydrophilic interaction liquid chromatography (HILIC) were used. Mass spectrometry data was collected with ESI in positive and negative mode using data-independent analysis (DIA) and data-dependent analysis (DDA), generating 8 different analytical methods in total.</p><h4><strong>Conclusions</strong></h4><p>The Shimadzu LCMS-9050 provided a comprehensive analysis of plant extracts when complementary chromatographic and MS analysis modes were utilized. All five growth stages showed distinct metabolimic populations. Overall differentiation of groups is captured by any of the analytical methods employed, but the same approach can be used to get a more holistic approach to metabolome coverage. If reduced analysis time is preferred, a combination of HILIC DDA and RP DDA methods characterize most metabolites.</p><h3><strong>3. Thermo Fisher Scientific / Metabolomics: Pushing the limits of structural lipidomics: enhanced sensitivity and MS³-driven annotation on Orbitrap Tribrid Apex Small Molecule MS</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/po_004763_ccs_surepac_protein_reverse_phase_mabs_separation_po004763_na_en_56199ec50d.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Advances in lipidomic analysis require mass spectrometry deliver high sensitivity, rapid acquisition, and efficient parallel use of multiple mass analyzers. Orbitrap Tribrid Apex Small Molecule MS was evaluated to meet these demands through improved sensitivity, faster polarity switching, and enhanced parallelization between the Orbitrap analyzer and linear ion trap analyzer. High-resolution MS enables effective resolution of isobaric lipid species, while alternative fragmentation strategies with rapid MSⁿ, supports confident lipid identification and structural annotation of lipid classes. The parallel operation of the Orbitrap analyzer and linear ion trap analyzer minimizes duty-cycle limitations while maximizing data density and throughput. Leveraging these instrument enhancements, robust lipidomics workflows were demonstrated through method evaluation with lipid reference materials and application to complex biological samples from plants.</p><h4><strong>Materials and methods</strong></h4><p><strong>Instrumentation and methods: </strong>A <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1988"><strong>Thermo Scientific Accucore C30 HPLC Column</strong></a> (150 mm x 2.1 mm, 2.6 µm particle size) connected to a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/744"><strong>Thermo Scientific Vanquish Horizon UHPLC System</strong></a> and a <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/lcms/library?mainauthorItems=3&amp;search=Orbitrap+Tribrid+Apex"><strong>Orbitrap Tribrid Apex Small Molecule MS</strong></a> were used to acquire the data.</p><h4><strong>Conclusions&nbsp;</strong></h4><p>We have successfully demonstrated the utility of the Orbitrap Tribrid Apex Small Molecule MS for structural lipidomics, using various fragmentation strategies on an LC timescale. We applied this to study lipid extracts from a plant and annotated around 1700 high grade lipids.</p><h3><strong>4. Waters Corporation / ASMS: Tandem Quadrupole DESI Imaging To Visualize Spatial Distribution of Gefitinib and Related Metabolites in Rat Liver</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/720009433_4e913e0193.pdf"><strong>Full PDF for download</strong></a></li></ul><div><div><section><div><div><div><div><div><div><p><span>This poster presents a targeted DESI-MS/MS imaging workflow for visualizing the spatial distribution of gefitinib and its metabolites in rat liver after a single therapeutic subcutaneous dose. The study addresses a common limitation in drug-distribution studies: spatial localization is often assessed using radiolabeled compounds, which may not be available during early drug discovery. DESI offers a label-free ambient ionization approach with minimal sample preparation, enabling direct mapping of drugs and metabolites in tissue.</span></p><p><span>Male Wistar rats received gefitinib at 10 mg/kg, while plasma, urine, and liver samples were collected over a 24-hour period. Plasma and urine were analyzed by LC-MS/MS for pharmacokinetics and metabolite identification, whereas fresh-frozen liver sections were analyzed by targeted DESI MRM imaging on a </span><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2100"><span><strong>Xevo TQ-Absolute XR tandem quadrupole mass spectrometer</strong></span></a><span>. Liver sections were cryosectioned to 10 µm thickness and analyzed using DESI with a methanol/water solvent containing formic acid.&nbsp;</span></p><p><span>The targeted DESI imaging experiment detected gefitinib together with six metabolites in liver tissue. Signal intensities were generally highest at approximately 1 hour after dosing, but the compounds remained detectable at 24 hours. Importantly, this was achieved at a therapeutically relevant dose rather than the much higher doses often required for imaging studies. The spatial imaging data also showed good agreement with LC-MS/MS pharmacokinetic profiles, particularly for gefitinib and the M11 metabolite.&nbsp;</span></p><p><span>Overall, the poster demonstrates that tandem quadrupole DESI MRM imaging can complement conventional LC-MS/MS by adding spatial information to quantitative pharmacokinetic and metabolite data. The approach enables label-free mapping of drug distribution directly in tissue and may therefore provide a useful tool for drug metabolism and disposition studies during discovery and development.</span></p></div></div></div></div></div></div></section></div></div>

News from LabRulezLCMS Library - Week 41, 2026

<p><strong>Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in the week of 5th October 2026? Check out new documents from the field of spectroscopy/spectrometry and related techniques!</strong></p><blockquote><p><span style="font-size:20px;">👉 </span><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library"><span style="font-size:20px;"><strong>SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT SPECTROSCOPY/SPECTROMETRY RELATED TECHNIQUES</strong></span></a></p></blockquote><blockquote><p><strong>👉 Need info about different analytical techniques?</strong> Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library"><strong>LabRulezLCMS</strong></a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library"><strong>LabRulezGCMS</strong></a> libraries.</p></blockquote><p>This week we bring you technical note by <strong>Agilent Technologies, </strong>application notes by<strong> LECO </strong>and <strong>Thermo Fisher Scientific </strong>and poster by <strong>Shimadzu / AOAC!</strong></p><h3><strong>1. Agilent Technologies: ATR Sampling Accessories for the </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?instrumentationItems=89&amp;mainauthorItems=10&amp;search=635"><strong>Agilent Cary 635 FTIR</strong></a><strong> Spectrometer</strong></h3><p><strong>An easy and versatile way to perform FTIR measurements</strong></p><ul><li>Technical note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/5991_6858_EN_bcf9447b77.pdf"><strong>Full PDF for download</strong></a><strong>&nbsp;</strong></li></ul><p>Attenuated total reflectance (ATR) is the most widely used sampling methodology for Fourier transform infrared (FTIR) spectroscopy. This popularity is due to its ability to quickly and easily measure a broad range of sample types, including liquids, solids, powders, semisolids, and pastes. The Agilent Cary 635 FTIR spectrometer uses a versatile modular concept, where precisely optimized sampling modules are attached to the front of the Cary 635 FTIR engine. Depending on the specific application or sample, different ATR sensors are used. Permanently aligned optics allow a wide range of modules to be swapped in seconds, with no user alignment. The Cary 635 FTIR accommodates a wide selection of ATR sensors, and features the ability to switch from one ATR sensor to another instantaneously.&nbsp;</p><p>For most applications, single reflection zinc selenide (ZnSe), diamond, and germanium (Ge) ATR sampling modules are available for the Cary 635 FTIR. These modules are used with a sampling press, and are excellent for analyzing solid materials, as well as liquids, pastes, and gels. The diamond sensor is highly durable, and the best choice for harder materials. The ZnSe sensor is a good choice for softer solids. The Ge sensor, with a shorter pathlength, is the best choice for highly absorbing samples. In addition, the multireflection ZnSe ATR sampling module is a great option for the analysis of liquids, pastes, and gels, where extra sensitivity is&nbsp;needed.&nbsp;</p><p>Because these sampling technologies are custom engineered for the Cary 635 FTIR, the analyst can have confidence in the results, whichever ATR sensor is chosen for their application. This custom engineering translates into the highest performance, sensitivity, and ease-of-use of any spectrometer in its class.</p><h4><strong>ATR sensors for the </strong><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?instrumentationItems=89&amp;mainauthorItems=10&amp;search=635"><strong>Cary 635 FTIR&nbsp;</strong></a></h4><p>Whether your applications require the single reflection ZnSe, diamond or Ge, or the multireflection ZnSe, the Cary 635 FTIR delivers class-leading performance. Unlike other FTIR spectrometers that use third-party accessories, sampling technology for the Cary 635 FTIR is custom designed by Agilent engineers, and perfectly matched to the optical characteristics of the spectrometer. The rugged, no‑alignment design permits instantaneous exchange of these ATR sampling technologies, so that any sample type you might face will readily be accommodated.&nbsp;</p><h5><strong>Zinc selenide (ZnSe) ATR modules&nbsp;</strong></h5><p>ZnSe is a semiconductor-type material that has been used for many years as an ATR sensing element. It is relatively hard, has a broad wavelength range, and is insoluble in water. For this reason, it is an excellent choice for pliable solids, pastes, gels, and liquids. It can be used to analyze aqueous solutions in the pH 5 to 9 range. The Cary 635 FTIR has two variations of ZnSe sampling technology available: multireflection and single reflection sensors.&nbsp;</p><h5><strong>Single reflection ZnSe ATR module&nbsp;</strong></h5><p>Because of the relatively short pathlength of infrared light into the sample, this sensor is ideal for neat samples; that is, samples that are relatively concentrated or pure. The single reflection ZnSe module is a good choice for identification of softer materials, as well as viscous liquids. When measuring solids, such as polymer films, it can be used with the Cary 635 FTIR.&nbsp;</p><h5><strong>Multireflection ZnSe ATR module&nbsp;</strong></h5><p>The exceptional performance of the Cary 635 FTIR, combined with the increased pathlength of the multireflection ATR sensor, demonstrates a spectrometer system of unsurpassed sensitivity. Lower concentration components in pastes, gels and liquids can be measured. Solutes in diluted or concentrated aqueous solutions in the pH range of 5 to 9 can also be analyzed. Since the multireflection sensor is recessed slightly in its stainless steel holder, it is ideal for analyzing nonviscous liquid samples. This sensor is a superior choice when qualitative or quantitative measurements are required. It is not recommended for use with solid materials, since it is not used with the pressure clamp.&nbsp;</p><h3><strong>2. LECO: Temperature-Dependent Determination of Total Organic Carbon (TOC) in Geological Materials</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/RC_612_TOC_GEOLOGICAL_MATERIALS_203_821_543_d525d35b59.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Total Organic Carbon (TOC) determination in geological materials—such as metal-bearing ores, oil shales, minerals, and aggregates—is routinely performed to assess organic matter content. This is an essential quality control procedure used to identify locations of natural hydrocarbon fuel deposits and to ensure the quality and compositional integrity of raw materials used in construction.&nbsp;</p><p>The organic Carbon content of rock and shale samples is one of the most important parameters used in the evaluation of sediments as a potential source for petroleum or natural gas. TOC content controls the hydrocarbon generation potential of the rock and the content of adsorbed natural gas within the rock, as it is the source material responsible for the formation of natural hydrocarbon fossil fuel deposits.&nbsp;</p><p>The determination of TOC is also an important quality control procedure used during the manufacturing of cement, from the raw material to the final product. TOC content is used to monitor the quality of raw materials such as limestone and shale and manage the kiln operation. This allows manufacturers to ensure that the final product meets the requirements necessary for optimal performance and compliance with environmental regulations.</p><h4><strong>Instrument Model and Configuration&nbsp;</strong></h4><p>The <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/1845"><strong>LECO RC612</strong></a> is a multiphase Carbon and moisture determinator with a variable ramp furnace and a wide Carbon detection range that is specifically designed to differentiate various forms of Carbon by the temperature at which they combust or decompose. This capability facilitates the temperature differentiation determination of the different species of Carbon in geological materials. The following application note outlines the instrument parameters and procedure for temperature-dependent Carbon determination using the RC612.</p><h4><strong>Typical Results</strong></h4><p>The low Carbon calibration was performed utilizing a single standard, linear, force through origin calibration, using LECO 502-029 Synthetic Carbon (1.00 % C). The high Carbon calibration was performed utilizing a linear, full regression calibration, using LECO 502-030 Synthetic Carbon (4.99 % C) and LECO 501-034 Calcium Carbonate (12.01 % C). The results are reported on a dry basis.</p><h3><strong>3. Shimadzu / AOAC: Rapid analysis of harmful heavy metals in pet food using EDXRF</strong></h3><ul><li>Poster</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/aoac_2026_24_4b781e06d8.pdf"><strong>Full PDF for download</strong></a></li></ul><p>On June 1, 2009, the Act on Ensuring the Safety of Pet Food was enacted in Japan, and compositional standards for dog and cat food were established. The ordinance specifies maximum levels for toxic heavy metals in pet food: cadmium (Cd) ≤ 1 μg/g, lead (Pb) ≤ 3 μg/g, and inorganic arsenic (As) ≤ 2 μg/g.&nbsp;</p><p>Although atomic absorption spectrophotometry (AA) and inductively coupled plasma mass spectrometry (ICP-MS) are commonly used for heavy metal analysis, they require complicated pretreatment such as acid digestion and skilled operators.&nbsp;</p><p>In this study, we focused on X-ray fluorescence analysis, which enables simple and rapid pretreatment, and analyzed five elements: Cd, Pb, As, mercury (Hg), and selenium (Se). This poster presents the usefulness of X-ray fluorescence analysis for toxic heavy metals in pet food and discusses prospects.</p><h4><strong>Methods</strong></h4><p>An energy-dispersive X-ray fluorescence spectrometer, <a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/icpms/library?mainauthorItems=1&amp;search=altrace"><strong>ALTRACE</strong></a> (EDXRF; Shimadzu Corporation), was used for the analysis (Fig. 1). Table 1 summarizes the analytical conditions.&nbsp;</p><p>The main features of EDXRF are as follows:&nbsp;</p><ul><li>Samples can be analyzed directly or with only simple pretreatment, such as grinding.&nbsp;</li><li>Elements from sodium (11Na) to uranium (92U) can be analyzed.&nbsp;</li><li>Various sample types, including solids, powders, and liquids, can be analyzed.&nbsp;</li><li>Typical measurement times range from a few minutes to several tens of minutes.</li><li>Quantification limit is well below 1 ppm.</li></ul><h4><strong>Conclusion&nbsp;</strong></h4><p>X-ray fluorescence analysis enables the determination of harmful heavy metals with simple sample pretreatment. ALTRACE, characterized by its high sensitivity, demonstrated a lower limit of quantification sufficient for analysis at the level of a few ppm, as well as good reproducibility.</p><p>Since XRF is an elemental analysis technique, separate analysis is required to distinguish between the chemical forms of inorganic and organic arsenic; however, it is considered useful for the screening of hazardous heavy metals.</p><h3><strong>4. Thermo Fisher Scientific: Characterizing carbon materials with Raman spectroscopy</strong></h3><ul><li>Application note</li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/pdf/D19504_cc33b312f3.pdf"><strong>Full PDF for download</strong></a></li></ul><p>Carbon nanomaterials have revolutionized the field of material science in recent years. Individual carbon nanomaterials offer a wide range of useful properties pertaining to electrical conductance, thermal resistance, and exceptional strength, making them very interesting materials to a broad range of industries. The high-level of interest in the processing, modification, and customization of these materials has created a strong demand for techniques that can be used to characterize carbon nanomaterials. Raman spectroscopy is one technique that has proven to be very well suited to many of the characterization needs with these materials.&nbsp;</p><p>Raman spectroscopy is most sensitive to highly symmetric covalent bonds with little or no natural dipole moment. The carbon-carbon bonds that make up these materials fit this criterion perfectly and as a result Raman spectroscopy is highly sensitive to these materials and able to provide a wealth of information about their structure. As we shall see, Raman spectroscopy is capable of discerning even slight changes in structure making it a very valuable tool in the characterization of carbon nanomaterials.</p><h4><strong>Raman highly sensitive to morphology&nbsp;</strong></h4><p>Raman spectroscopy is particularly well suited to molecular morphology characterization of carbon materials. Every band in the Raman spectrum corresponds directly to a specific vibrational frequency of a bond within the molecule. The vibrational frequency and hence the position of the Raman band is very sensitive to the orientation of the bands and weight of the atoms at either end of the bond. Figure 2 shows an example in which the Raman spectrum of diamond is compared to the Raman spectra of crystalline silicon and germanium. These spectra show us several things. First, note that in the case of diamond, where the material consists of highly uniform C-C bonds in a tetrahedral crystal structure, the Raman spectrum is very simple. It consists of only a single band because all of the bonds in the crystal are of the same orientation and strength resulting in a single vibrational frequency. We also see that the spectrum of diamond is easily distinguished from the spectra of silicon and germanium by the frequency (cm-1 position) of the band even though they share the same tetrahedral crystal configuration. The heavier atoms of silicon and germanium slow the vibrational frequency and shift the corresponding Raman band to lower frequency as well.&nbsp;</p><ul><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2239"><strong>Thermo Scientific DXR3 Raman Microscope</strong></a></li><li><a target="_blank" rel="noopener noreferrer" href="https://labrulez.com/en-us/all/products/2235"><strong>Thermo Scientific DXR3 SmartRaman Spectrometer</strong></a></li></ul><h4><strong>Conclusions&nbsp;</strong></h4><p>Raman is a very powerful and valuable technique that can be of great benefit to characterization of carbon nanomaterials. Raman is particularly well suited to detect small changes in structural morphology of carbon nanomaterials making it an indispensable tool for many material scientists working with carbon nanostructures. Raman instruments are very fast and provide a great deal of flexibility in samples that can be accommodated. Every lab that is characterizing carbon nanomaterials will benefit from having access to Raman instrumentation.</p>

News from LabRulezICPMS Library - Week 41, 2026

News from LabRulezLCMS Library - Week 42, 2026

Article

Product

Events

Webinars

Application

Academy

Video

Poster

Scientists

Plastics

Environment

Food

Water

Health

Presentation

Scientific article

Interview

Toxicology

Popularization

Science and research

Software

Covid-19

Career

Laboratories

Various

PFAS 

Zaměření

Type of News

Focus

Everything from the world of analytical chemistry in one place. We connect people in solving their problems. At Labrulez you will find all the necessary information easily, quickly and clearly. Stop searching and start finding.

LabRulez

Thermo Fisher Scientific Mass Spectrometry Users’ Meetings 2026

LECO Training Course GDS900/950 & CDP

Thermo Fisher Scientific Analytical solutions forum

Validated Method for PFAS Testing in Food, Including Meats

Confidence in PFAS Data: Smarter Sample Prep, Contamination Control, Highly Sensitive and Robust MS

From sample to result: advanced sample prep strategies for food and environmental matrices