Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 19th August 2024? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!
<blockquote>
<h4>👉 <a href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></h4>
</blockquote>
<blockquote>
👉 Need info about different analytical techniques? Peek into <a href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.
</blockquote>
This week we bring to you a posters from <a href="https://gcms.labrulez.com/events/568">ASMS 2024</a> by LECO, Agilent Technologies, Shimadzu, and Thermo Fisher Scientific!
<h4>1. LECO: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/NIST_LIBRARY_MATCH_QUALITY_HRT_MMS_CF_ASMS_24_LPSS_320_90d3c6e8c9.pdf">Evaluation of the NIST Library Matching Quality of Mass Spectra Generated by the GC-HR-TOFMS with Multi-Mode Ionization Source</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
Introduction: Comparison of electron ionization spectra against standardized libraries is a staple approach to compound identification in non-targeted GC-MS analysis. High-quality matches are central to the pace of, and confidence in, such analyses. Recent developments in gas chromatography high resolution mass spectrometry have progressed non-targeted analysis applications to a wide variety of studies. However, modern ion-optical design principles which allow gains in sensitivity and resolving power may inadvertently alter fragmentation patterns, which may in turn affect the reliability of automated comparisons against standard libraries. Thus, thorough evaluation and validation of the high-quality spectra matching to the standard libraries, like NIST, is necessary for comprehensive assessment of the promised benefits of new technologies.
Conclusions: This multi-mode ionization source, as assessed using these 207 diverse analytes, generates fragmentation patterns which align very well with the NIST spectral library. Across all analytes in standard solutions, the mean library match score was 935 and the standard deviation for this value was 24.2. Mean match scores were agreeable regardless of moieties present. Percent differences for MRPS #2 spiked into a Pu’er Tea and MRPS #8 spiked into a dietary supplement were - 3.75 % and -1.44 %, illustrating how the system can easily maintain spectral confidence even in complex matrices. Overall, this study suggests the electron ionization mode of this multimode ion source, in combination with its high-resolution time of flight mass analyzer, yields spectra in excellent agreement with the quadruple dominated NIST library.
<h4>2. Agilent Technologies: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_7000d_mrm_fast_analysis_enviro_compounds_asms_2024_thp360_en_agilent_d338929001.pdf">Fast Analysis of 140 Environmental Compounds by GC/MS/MS</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
Introduction: Pesticides, polycyclic aromatic hydrocarbons (PAHs), and polychlorinated biphenyls (PCBs) are persistent environmental pollutants with the potential for bioaccumulation.¹ Previously, these compound classes have been analyzed using gas chromatography with an electron capture detector (GC-ECD), but this requires full chromatographic separation of all analytes for confident chemical identification. With a triple quadrupole detector (QQQ), analysis time significantly drops due to mass identification eliminating the need to chromatographically separate all components. Further, multiple reaction monitoring (MRM) mode on the QQQ provides a higher confidence in peak identification than analysis by scan or selected ion monitoring (SIM) mode. Combining chromatographic separation and MS/MS analysis is especially useful for PAHs and PCBs where multiple analytes may have the same m/z value.
Conclusions: Transitioning methods from GC-ECD to GC/MS/MS is highly beneficial.
By running in MRM mode, we enable the following:
<ul>
<li>Significant time-savings</li>
<li>Increased confidence in hits</li>
<li>Sample quantification remains the same</li>
</ul>
<h4>3. Shimadzu: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Th_P364_Novel_High_Sensitivity_Detector_for_GCMS_adcdac36c4.pdf">Novel High Sensitivity Detector for GC/MS</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
Overview
<ul>
<li>We have developed a novel high sensitivity detector which has a simple structure to achieve high ion transmission and eliminate neutral molecules simultaneously.</li>
<li>Signal to noise ratio (S/N) was 1.5 times higher than that with a conventional detector.</li>
</ul>
Introduction: 
In GC/MS, numerous neutral molecules originated from carrier gas pass through quadrupole mass filter without being removed, and thereby they are finally transferred to ion detector. When they enter the detector, they may cause noise in the detecting signal. For this problem, some detector structures have already been proposed to remove these neutral molecules. However, they have complex structures and the room for improvement of ion transmission. In this study, we have developed the new high sensitivity detector which has a simple structure to achieve high ion transmission and to eliminate neutral molecules simultaneously.
Conclusions:
<ul>
<li>We have developed the new high sensitivity detector and achieved the high ion transmission and removal of neutral molecules simultaneously.</li>
<li>Signal intensity was increased by 1.2 times and noise was reduced by about 20%, S/N was 1.5 times higher than that with the conventional detector.</li>
<li>This noise reduction effect will be larger in the high flow analysis. In addition, this detector is promising to extend the lifetime of the detector due to less contamination from neutral particles in the conversion dynode and electron multiplier.</li>
</ul>
<h4>4. Thermo Fisher Scientific: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_142_utilizing_hydrogen_pesticides_food_gc_ms_po142_asms2024_en_7ed0951b93.pdf">Utilizing hydrogen carrier gas for sensitive analysis of pesticides in food using gas chromatography mass spectrometry</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
<h5>Abstract</h5>
Purpose: To demonstrate the performance of the Thermo Scientifc HeSaverH2Safer kit for iConnect split-splitless (SSL) injection module for trace analysis of pesticides using H2 as a carrier gas as a safe and sustainable solution for laboratory operations 
Methods: In this study, hydrogen was used as a carrier gas for GC-MS/MS analysis of trace levels of pesticides in food. The GC was fitted with a new hydrogen safer split/splitless injector, with chromatographic separation performed on a TG-5 SIL MS (30 m × 0.25 mm, 0.25 μm) capillary GC column. The chromatographic conditions applied ensured critical pair separation was achieved. The GC-MS/MS system was equipped with an advanced electron ionization (AEI) source to increase sensitivity for analyte detection. Quantification and assessment of critical regulatory requirements, such as linearity and sensitivity, were performed in a single software.
<h5>Conclusions</h5>
<ul>
<li>The use of the HeSaver-H2Safer technology allows for a safe and compliant use of hydrogen as an alternative carrier gas in GC/GC-MS applications without the need to install a hydrogen sensor and removes any risk of unwanted reactions with the sample in the hot SSL injector.</li>
<li>When used with hydrogen, the limited carrier gas consumption offered by the HeSaverH2Safer mode permits a very controlled system demand for hydrogen, making this solution ideal for laboratories working with hydrogen generators.</li>
<li>Migrating the GC-MS/MS method from helium to hydrogen requires an adaptation of method parameters to address (i.e., retention time shift and different fragmentation patterns).</li>
<li>97% of pesticides in baby food and 98% in honey showed a linear response in the concentration range 0.005–0.500 mg/kg and the relative standard deviation for N=5 repeats of each sample type at 0.01 mg/kg was equal or lower than 10% for 98% of the evaluated compounds.</li>
</ul>

News from LabRulezGCMS Library - Week 34, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 19th August 2024? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!
<blockquote>
<h4>👉 <a href="https://lcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</a></h4>
</blockquote>
<blockquote>
👉 Need info about different analytical techniques? Peek into <a href="https://gcms.labrulez.com/library">LabRulezGCMS</a> or <a href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.
</blockquote>
This week we bring to you posters from <a href="https://gcms.labrulez.com/events/568">ASMS 2024</a> by Agilent Technologies, Shimadzu, Thermo Fisher Scientific, and Waters Corporation!
<h4>1. Agilent Technologies: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_6475_spe_pfas_semiconductor_asms_2024_wp496_en_agilent_cf6e3f6528.pdf">Quantitative Analysis of Legacy &amp; Emerging PFAS in Semiconductor Lubricant using Triple Quadrupole LC/MS</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
Introduction: Per- and polyfluoroalkyl substances (PFAS) are known to play an important role in the semiconductor industry. For example, PFAS-containing lubricants used in manufacturing processes mainly include perfluoropolyether (PFPE), polytetrafluoroethylene (PTFE) and others that are believed to be of very low toxicity.¹ With environmental regulations &amp; manufacturing restrictions continuing to expand in their scope, the semiconductor industry is facing the challenge of sustainability.² Reliable workflows are needed to ensure effective monitoring and control of PFAS in upstream processes. This study established a workflow based on solid phase extraction (SPE) and LC/MS/MS for analyzing over 100 PFAS from semiconductor lubricant matrix. 
Conclusions:
<ul>
<li>A reliable workflow for quantitation of trace levels of PFAS in semiconductor lubricant, based on SPE cleanup and LC/MS/MS was developed.</li>
<li>The Agilent Bond Elut PFAS WAX cartridge offered selective and effective extraction for matrix cleanup and preconcentration of PFAS analytes in lubricant.</li>
<li>The workflow performance confirmed the applicability of the Agilent PFAS MRM Database and eMethod, for quantitation of PFAS using the Agilent 6475 LC/TQ system.</li>
<li>This workflow enables a ready-to-use protocol for lubricant suppliers and semiconductor manufactures to monitor trace levels of critical PFAS in lubricants.</li>
</ul>
<h4>2. Shimadzu: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/MP_220_Identification_of_Double_Bond_Position_in_Cyclic_Ester_using_OAD_TOF_system_5918fdc1f4.pdf">Identification of Double Bond Position in Cyclic Ester using OAD TOF system</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
<h5>Overview</h5>
Oxygen Attachment Dissociation (OAD) (x1 000 000) is a novel method for fragmentation providing additional fragmentation to CID on the LCMS 9050 To enhance identification of cyclic ester(lactone) which is one of the aromatic ingredients OAD-MS/MS has been applied to provide double bond specific dissociation enabling C=C position assignments.
Introduction: Lactones Lactones, which are aromatic aromatic ingredients find wide applications in perfumes detergents, and foods The aroma is derived from a combination of various compounds rather than single compound The presence of different types and amounts of impurities in these compounds whether synthesized or purified from natural products can result in distinct aromas To accurately evaluate the aroma it is crucial to identify the precise structural information of the compound including impurities However when the compound has a stable cyclic structure such as lactone direct access to the double bond position within the ring by the neutral radical generated through OAD becomes challenging. In this study, various lactones were hydrolyzed to convert the cyclic ester into a hydroxycarboxylic acid, enabling the identification of the double bond position.
<h5>Conclusions:</h5>
<ul>
<li>Hydrolyzation combined with OAD MS/MS was worked to identify C=C bond positions of cyclic ester.</li>
<li>It was suggested that there are several isomers of Lactone B other than the position of the C=C bond.</li>
<li>OAD-MS/MS can distinguish isomers that cannot be identified by CID.</li>
</ul>
<h4>3. Waters Corporation: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/2024_asms_stevens_pahs_micro_plastic_bf33e7cfcd.pdf">ANALYSIS OF HIGH MASS POLYCYCLIC AROMATIC HYDROCARBONS (PAHS) EXTRACTED FROM MICROPLASTICS SPILLED IN THE MARINE ENVIRONMENT</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
INTRODUCTION
In 2021 the container ship M/V X-Press Pearl caught fire and later sank off the coast of Sri Lanka. Over 1600 tons of polyethylene pellets, aka nurdles, were aboard the ship along with 25 tons of nitric acid which began to leak and is suspected to be the cause of the fire that lead to the sinking. To add to the witches brew of ingredients in this fire were fertilizers and explosives being transported and flame retardants deployed to douse the fire. When combined with abundant, naturally-occurring compounds found in the marine environment, the need arises to characterize the composition of intact, burned, and broken pieces of the spilled plastic later collected from kilometers of Sri Lankan beaches¹.
Determining the distribution and abundance of PAHs in the samples is important for characterizing the source of the microplastics (MPs) and in selecting appropriate handling, disposal and/or recycling methods. Both traditional and advanced GC/MS methods such as 2D GC are suitable for the determination of PAHs up to 302 Da which is useful for such purposes as the differentiation of pyrogenic versus petrogenic inputs2. However, the toxicity characteristics of samples has demonstrated poor correlation with low mass (&lt;302 Da) PAHs in past studies3. For that reason this work was aimed at investigating the routine analysis of higher mass PAHs in the range of 314 to 424 Da to provide access to additional analytes that may better correlate with toxicity as well as to provide the possibility of additional source markers.
CONCLUSIONS
<ul>
<li>Analysis of an expanded range of high molecular weight PAHs in unfractionated extracts of MPs was achieved using a standard GC-APCI QqQ configuration combined with asimple, generic METHODS microextraction</li>
<li>Charge transfer, atmospheric pressure chemical ionization facilitated the implementation of a class-specific MRM acquisition scheme</li>
<li>Only minor modification to the GC method used for lower mass PAHs is required</li>
<li>Nitrogen carrier gas achieved elution of HWM PAHs with symmetric, narrow peaks through the use of flow programming</li>
<li>Further investigation of HMW PAHs for potential source markers and toxic compounds is enabled with this approach</li>
</ul>
<h4>4. Thermo Fisher Scientific: <a href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_carbon_nitrogen_isotopomer_orbitrap_stellar_ms_hybrid_po_en_0e1e253794.pdf">Carbon and Nitrogen Positional Isotopomer Determination in Metabolites using Orbitrap IQ-X and Stellar MS - a novel hybrid nominal mass instrument</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
<h5>Abstract</h5>
Purpose: Development of a targeted MS²/MS³ approach for the determination of positional isotopomers.
Methods: Initial data acquired on Thermo Scientific Orbitrap IQ-X Tribrid Mass Spectrometer was used for the structural annotation. A targeted MSn based assay utilizing the above data to get the structural information of the metabolites was developed on a novel hybrid nominal mass instrument.
Results: A targeted MS²/MS³ method was established for the determination of positional isotopomers in Adenosine Monophosphate (AMP). The method was used for evaluation of the effect of hypoxia on cellular metabolism in an in-vitro model.
<h5>Conclusions</h5>
<ul>
<li>A workflow for targeted stable isotope analysis of isotopomer is described.</li>
<li>The use of product scans with MSn and alternate fragmentation can give positional information of label using nominal mass resolution instrument.</li>
</ul>

News from LabRulezLCMS Library - Week 34, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in week 34, 2024? Check out new documents from the field of spectroscopy, especially ICP/MS techniques!
<blockquote>
<h4>👉 <a href="https://icpms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT ICPMS AND RELATED TECHNIQUES</a></h4>
</blockquote>
<blockquote>
👉 Need info about different analytical techniques? Peek into <a href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a href="https://gcms.labrulez.com/library">LabRulezGCMS</a> libraries.
</blockquote>
This week we bring to you a poster from <a href="https://gcms.labrulez.com/events/568">ASMS 2024</a> by Agilent Technologies, applications by Shimadzu and Thermo Fisher Scientific, and technical note by Metrohm!
<h4>1. Agilent Technologies: <a href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_7850_icpms_elemental_impurities_oligo_asms_2024_mp131_en_agilent_e8292cc884.pdf">Analysis of Elemental Impurities in Synthetic Oligonucleotides by ICP-MS In compliance with USP &lt;232&gt;/&lt;233&gt; and ICH Q3D(R2)/Q2(R1)</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
Introduction: Synthetic oligonucleotides are short chains (oligomers) of deoxyribonucleic acid (DNA) or ribonucleic acid (RNA) molecules. They are used in applications such as polymerase chain reaction (PCR) tests, DNA sequencing and novel therapeutic products.
The synthesis of oligonucleotides involves a four-step cyclic process followed by multi-step downstream purification. This manufacturing process as well as environment, packaging, and container closure systems can be potential sources of contamination leading to inorganic impurities formation.
To control and monitor product safety, permitted daily exposure (PDE) limits of 24 elements are defined in ICH guideline Q3D(R2)1 and USP chapter &lt;232&gt;2. ICH Q2(R1)3 and USP&lt;233&gt; 4 describe analytical measurement requirements and procedures for the measurement of those elemental impurities. Although oligonucleotide products have not been included in those regulatory guidelines yet, the industry common practice is to follow those guidelines.
In this study, an analytical workflow (Figure1) was developed in accordance with the ICH/USP guidelinesfor the analysis of elemental impurities in an oligonucleotide sample using an Agilent 7850 ICP-MS. Data was acquired to evaluate the accuracy, specificity, reproducibility, and ruggedness of the method.
Conclusion: The study has demonstrated the suitability of the Agilent 7850 ICP-MS for the identification and quantification of 24 elements in a synthetic oligonucleotide sample in compliance with existing USP and ICH guidelines. Instrument and method performance requirements for stability, detectability, precision, specificity, ruggedness, accuracy, and spike recovery were all achieved per the criteria given in USP &lt;232&gt;/&lt;233&gt; and ICH Q3D(R2)/Q2(R1).
As the development and use of oligonucleotides in therapeutic applications continue to advance, the elemental impurities analysis of oligonucleotides using 7850 ICP-MS can safeguard the product quality and safety.
<h4>2. Metrohm: <a href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Metrohm_OMNIS_NIRS_An_efficiency_boost_for_your_706048fea4.pdf">OMNIS NIRS: An efficiency boost for your laboratory</a></h4>
<ul>
<li>Technical note</li>
</ul>
<h5>Routine lab analysis – simplified with OMNIS NIRS</h5>
Near-infrared spectroscopy (NIRS) is an analytical technique used to determine multiple parameters in samples quickly without requiring any chemicals. Determinations can be performed in liquids, pastes, and solids with this non-destructive method.
Many industries benefit from using NIRS in their laboratory workflows. Time and cost savings are two of the most convincing arguments for adopting NIRS in the laboratory. It is also easy to use, even for non-technical operators.
This White Paper discusses the concept and benefits of NIR spectroscopy, supplemented with the use of the Metrohm NIR solution, OMNIS NIRS, in several real-life laboratory application examples. Applications from the petrochemical, food and beverage, semiconductor, and pharmaceutical industries are used to demonstrate the unique functionalities of OMNIS NIRS in different situations.
SUMMARY: With OMNIS NIRS, users get a flexible, modular analytical solution which is suitable for many industries. Unique functionalities include:
<ul>
<li>automatic model development (OMD)</li>
<li>a high measurement speed</li>
<li>the possibility to recognize sample insertion and removal</li>
<li>sophisticated temperature control</li>
<li>the ability to combine different analytical technologies from a single manufacturer—even in an automated system</li>
</ul>
Boost the efficiency of your laboratory with OMNIS NIRS.
<h4>3. Shimadzu: <a href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00712_en_f0d3971af4.pdf">Analysis of Metal Elements in Culture Medium Using ICPMS-2050</a></h4>
<ul>
<li>Application</li>
</ul>
User Benefits
<ul>
<li>Analysis of both trace and high-concentration elements is possible in culture media.</li>
<li>Culture media can be analyzed with simple dilution-only pretreatment using the ICPMS-2050.</li>
<li>The elements in the culture medium can be analyzed reliably and accurately over a long period.</li>
</ul>
Introduction: A culture medium usually contains elements spanning a wide range of concentrations, from trace (Co, Cu, Se, etc.) to several thousand ppm (Na). Elementsin the medium are important in cell cultures because they are taken up by the cells and contribute to enzyme activity and redox reactions. On the other hand, it has been pointed out that unexpected contamination from raw materials and equipment in the culture media manufacturing process may cause differences in element concentrations among batches. Therefore, it is important to know the element concentration profiles in the culture medium to achieve a homogeneous cell culture. 
ICP-MS issuitable for this purpose because it can analyze multiple elements with high sensitivity and has a wide dynamic range. In this Application News, an ICPMS-2050 was used to analyze both trace and high-concentration elements in a culture medium by dilution-only pretreatment. Furthermore, the spike recovery and long-term stability in the culture medium were evaluated using the ICPMS-2050 to confirm that there was no effect on the analytical value due to dilution-only pretreatment.
Summary: In this Application News, the ICPMS-2050 was used to analyze trace and high-concentration elements in a culture medium using dilution-only pretreatment. Good spike recoveries were obtained for all the measured elements, verifying that the culture medium can be accurately analyzed with dilution-only pretreatment. In addition, the results of CCV and internal standard recoveries showed good long-term stability.
<h4>4. Thermo Fisher Scientific: <a href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_002821_tea_icap_ms_icap_tqe_industrial_an002821_em_en_b60acdccc6.pdf">Analysis of process water from hydrogen fuel cells using triple quadrupole inductively coupled plasma mass spectrometry (ICP-MS)</a></h4>
<ul>
<li>Application</li>
</ul>
Keywords: Fluorine, fuel cell, high resolution, ICP-MS, KED, PEM, process water, triple quadrupole, TQ-O2 mode
Goal: To demonstrate the analysis of process water from hydrogen fuel cells for inorganic trace contaminants with high sensitivity and accuracy using triple quadrupole ICP-MS
Conclusions: The iCAP TQe ICP-MS was employed to analyze 53 elements including fluorine in process water derived from hydrogen fuel cells. Among the analytes, several critical interferences can cause unexpected bias, and these were investigated closely for effective and complete removal by means of selective collision / reaction cell reactions with oxygen. This study also included the development of a method for the analysis of fluorine, generally only possible in an indirect measurement. This analytical method was rigorously tested, and the results obtained clearly demonstrate the fowling analytical advantages:
<ul>
<li>The iCAP TQe ICP-MS operated in TQ-O2 and He KED modes allowed the analysis of 53 elements in relevant sample matrices over a wide concentration range. For minor elements, the method was tested over 4 orders of magnitude (from 0.01 to 100 µg·L-1), whereas major elements were tested between 1 to 100 µg·L⁻¹.</li>
<li>Using a high throughput analysis approach, with a new autosampler equipped with a Step Ahead feature for minimizing total analysis time, all elements relevant for the development of hydrogen fuel cell technology could be measured accurately with low detection limits.</li>
<li>The use of TQ-O₂ mode provided advanced performance for eliminating the polyatomic interferences of phosphorus, sulfur, silver, and cadmium in the simulated hydrogen fuel cell process water. This covered both polyatomic interferences as well as overlaps created by intense signals from isotopes of elements present in high concentrations.</li>
<li>he iCAP TQe ICP-MS offers the flexibility to choose high resolution for the Q1 and Q3 quadrupoles, enabling complete elimination of polyatomic interference and isobaric interferences.</li>
<li>The feasibility of fluorine analysis was demonstrated using an indirect method after complexation with barium. The iCAP TQe ICP-MS showed accurate and precise determination of fluorine as proven by the spike recovery tests performed.</li>
<li>Excellent stability performance was obtained with the iCAP TQe ICP-MS together with excellent CCV and spike recovery results over a 3-hour run without internal standard correction. This provides the advantage of avoiding potential contamination from addition of the internal standard solution.</li>
</ul>

News from LabRulezICPMS - Library Week 34, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 26th August 2024? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!
<blockquote>
<h4>👉 <a href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></h4>
</blockquote>
<blockquote>
👉 Need info about different analytical techniques? Peek into <a href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.
</blockquote>
This week we bring to you a posters from <a href="https://gcms.labrulez.com/events/568">ASMS 2024</a> by LECO, Agilent Technologies, Shimadzu, and Thermo Fisher Scientific!
<h4>1. LECO: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Long_Lifetime_Ion_Detector_GC_G_Cx_GC_TOFMS_MS_ASMS_24_LPSS_326_4c9e1fb7a1.pdf">A Novel Long-Lifetime Ion Detector for GC-TOFMS and GCxGC-TOFMS with Sub-Femtogram Detection Limits</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
Introduction: Ion detection efficiency and fast response times are critical aspects of the ion detectors used in time-of-flight mass spectrometry (TOFMS). With modern advancements in ionization, ion optics, and ion transfer efficiency, TOFMS systems are capable of generating high ion flux onto the ion detectors. Having an ion detector that is capable of maintaining optimal performance over a long period of time while accepting high amounts of ion flux is a significant challenge in development of TOFMS instrumentation. Improvements in detector life will minimize maintenance costs and improve TOFMS user experience. A novel long-lifetime ion detector was developed in partnership with El Mul Technologies for use in LECO’s Pegasus® BTX GC and GCxGCTOFMS. The system was thoroughly evaluated for sensitivity and robustness, including longevity of the detector.
Conclusions: The Pegasus BTX GC(GCxGC)-TOFMS with a novel Long-Lifetime Ion Detector has demonstrated the following performance characteristics:
<ul>
<li>Sub-2 fg IDL for GC-TOFMS and Sub-fg IDL for GCxGC-TOFMS</li>
<li>Linear dynamic range of 5 orders of magnitude in GC-TOFMS and 4 orders of magnitude in GCxGC-TOFMS</li>
<li>Robust operation: the detector bias remains consistent and BTX peak intensity remains consistent over long periods of time, even with large numbers of samples acquired and significant amounts of charge accumulation on the detector.</li>
</ul>
<h4>2. Thermo Fisher Scientific: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_153_dioxin_analysis_gc_orbitrap_capabilities_po153_asms2024_en_f72a355ee6.pdf">Meeting the challenges of Dioxin analysis and more with GC-Orbitrap high mass resolution capabilities</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
<h5>Abstract</h5>
Purpose: Evaluate the performance of gas chromatography (GC) Orbitrap high mass resolution spectrometry for trace analysis of polychlorinated dibenzo-p-dioxins/furans (PCDD/PCDF) at current maximum allowable limits in soil according to EPA 1613 method criteria.¹ 
Method summary: Sample analysis was carried out on the Thermo ScientificOrbitrap Explorisᵀᴹ GC 240 mass spectrometer. A sample volume of 1.5 μL was injected for chromatographic separation using a TG-Dioxin (60 m × 0.25 mm, 0.25 μm) capillary GC column with a Thermo Scientific TRACE 1610 GC. Ion source conditions were optimized to fulfill sensitivity criteria of EPA 1613. Performance was evaluated through analysis of a raw soil extract previously analyzed using a regulatory compliant method². Quantification was performed using isotopic dilution in Thermo Scientific Chromeleon Chromatography Data System (CDS) software using the Dioxin Analyzer workflow . 
Results: The Orbitrap GC mass spectrometer fulfilled the high sensitivity, mass accuracy and resolution criteria of EPA 1613 at femtogram (fg) levels within a raw soil extract. Combined with a large dynamic range (0.05 – 100 pg•μL⁻¹), the OE GC provides users with an alternative analytical approach to deliver sensitive and accurate analysis of PCDD/F while enabling laboratories to meet future analytical challenges with high resolution accurate mass data.
<h4>3. Shimadzu: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Th_P_347_ASMS_Poster_Cafe_Ana_V6_239x117_03f5bcb26c.pdf">Ensuring food safety through the study of potential extractables and leachables in roasted coffee packaging by ultra-sensitive Headspace GC/MS</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
Introduction
<ul>
<li>The main function of food product packaging is to protect food against any contaminant. However, in some circumstances, this packaging can release possible substances that pose a risk to human health. These are extractables and leachables (E&amp;L) compounds that migrate from materials into the product, especially under factors such as temperature, time, and solvents.</li>
<li>Notably, Brazilian legislation lacks a consolidated assessment to monitor these compounds in the food industry.</li>
<li>The Headspace Shimadzu HS-20 NX trap model allows the concentration of compounds, up to 10 times, in a trap material. This means that even very small traces of these contaminants can be detected and quantified accurately.</li>
<li>When coupled with GCMS-QP2020 NX (Fig.1), the HS-20 NX becomes a powerful tool for identifying and analyzing potential toxic contaminants, significantly contributing to food safety and compliance with quality regulations.</li>
</ul>
Conclusion
<ul>
<li>The use of HS-20 NX in Trap mode with GC/MS enabled the identification of over 100 compounds, comparing the spectra with the National Institute of Standard and Technology (NIST) library. Among these compounds are potential E&amp;L substances, as well as coffee aroma components.</li>
<li>This technique demonstrates high versatility and efficiency by providing high analytical sensitivity capable of identifying compounds even at low concentrations, something unachievable by conventional methods. This evolution represents a notable advancement in coffee and food quality control, enabling precise detection of essential characteristics and components to ensure the excellence of the final product and consumer health.</li>
</ul>
<h4>4. Agilent Technologies: <a href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Th_P_347_ASMS_Poster_Cafe_Ana_V6_239x117_03f5bcb26c.pdf">Faster Qualitative Analysis of Essential Oils Using GC/MS with Hydrogen Carrier Gas and a Hydrogen Optimized EI Source</a></h4>
<ul>
<li>poster / <a href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li>
</ul>
Introduction: Due to the price of helium (He), many laboratories are looking for alternative carrier gases for their gas chromatography/mass spectrometry (GC/MS) methods. This work describes the conversion of a GC/MS method for the identification of flavor and fragrance compounds in essential oils from helium to hydrogen (H₂). A single quadrupole GC/MS system was used with hydrogen carrier gas and an EI source optimized to provide spectral fidelity with hydrogen. To increase confidence in compound identifications, deconvoluted mass spectra and linear retention indices (RI) were searched against the NIST23 mass spectral library. A column and chromatographic conditions for hydrogen were chosen that reduce the analysis time by 2.5 times compared to the helium method and generates results comparable to helium.
Conclusions: The data presented here shows that H₂ can successfully be used as a carrier gas for flavor and fragrance analyses with the proper conversion steps.
<ul>
<li>The choice of the 20 m x 0.18 mm id x 0.18 µm film HP-5MSUI column allowed a 2.5 times faster analysis with equivalent chromatographic resolution.</li>
<li>The Method Translation calculator provided chromatographic conditions that maintained the same elution order as with the He method, resulting in excellent agreement of the RI values measured with both methods.</li>
<li>The use of MassHunter Unknowns Analysis software to deconvolute spectra and search them with RI filtering against the NIST23 library significantly simplified identification of the flavor components.</li>
<li>The HydroInert EI source minimized in-source reactions with H₂, resulting in higher LMS values.</li>
</ul>
For further details on this work, please see reference 3. Reference 4 provides more information on flavor components that can react with H₂ in the source, and which benefit from the use of HydroInert. Note that if He is available at an acceptable price, it is the preferred carrier for GC/MS and should be used. However, as shown in this work, H2 can be used if appropriate method adjustments are made to accommodate its use.

News from LabRulezGCMS Library - Week 35, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 26th August 2024? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!<blockquote><h4>👉 <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</a></h4></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">LabRulezGCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring to you posters from <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/events/568">ASMS 2024</a> and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/events/592">52nd HPLC</a> by Agilent Technologies, Shimadzu, Thermo Fisher Scientific, and Waters Corporation!<h4>1. Agilent Technologies: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/enhancing_high_throughput_preparative_hplc_poster_06b9abadd0.pdf">Enhancing High Throughput Preparative HPLC: Offline Regeneration of Identical Superficially Porous Particle Preparative Columns Utilizing The 1290 Infinity II Preparative LC System and Agilent InfinityLab Poroshell 120 Preparative LC Columns to extend Column Lifetime, Minimize Sample Carryover and Increase Throughput</a></h4><ul><li>poster / <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/303">HPLC</a></li></ul>Abstact: High throughput sample purification and analysis are important tasks in many industries. With the increasing number of samples synthesized– HPLC purification should not be the bottleneck in discovery and development. The throughput on the Prep system can be increased by optimizing the chromatographic method and by optimizing the instrument hardware. In this poster we show how the throughput can be enhanced even further by using two identical Poroshell Preparative HPLC columns in the system and operating them alternately optimizing the 1290 Infinity II Preparative LC System for Off-Line Column Regeneration. The greatest benefit of the offline column cleanup and equilibration is the increase in sample throughput, but added benefits include extended column lifetime and a reduction in sample carryover.Conclusions: Faster run times and higher throughput is desirable when doing preparative HPLC. Using higher flow rates, shorter and lower pressure columns as well as optimized equipment can help to achieve these goals. Higher backpressure limits of the Agilent Inf II Prep pumps along with high pressure valves further reduce cycle times by allowing configuration of automated offline column regeneration. This means two columns are alternatively used via a 2-position/14-port valve. Cleaning and equilibration time can be excluded from the cycle time and 50% more runs were performed.<h4>2. Waters Corporation: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/2024_hplc_maziarz_hydrophilic_hilic_f04a258724.pdf">Scaling Reverse-Phase and Hydrophilic Interaction Liquid Chromatography (HILIC) Methods to HPLC</a></h4><ul><li>poster / <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/303">HPLC</a></li></ul>INTRODUCTION:Achieving identical chromatographic separation and equivalent results are critical when scaling and migrating methods between different liquid chromatography (LC) instruments.In this work, two different methods developed on 1.7 μm particle size columns using a low dispersion system were scaled to HPLC. In first example, a reverse-phase method for naphazoline hydrochloride, pheniramine maleate and associated related substances was scaled from 1.7 μm to a 2.5 μm particle column. A second method for the analysis of ribavirin and related compounds, operated under HILIC conditions, was scaled from 1.7 μm to 2.5 and 3.5 μm particle columns and run on different HPLC platforms. The scaled methods generated equivalent chromatographic performance and assay results as the original method.CONCLUSION:<ul><li>Reverse-phase and HILIC methods were successfully scaled from 1.7 µm particle size columns to HPLC.</li><li>The target LC systems including ACQUITY Arc, Arc HPLC and Alliance iS HPLC Systems generated equivalent performance as the original method run on an ACQUITY UPLC H-Class Plus System.</li><li>Dwell and extra-column volumes were accounted for to ensure quality of the chromatographic data for method scaling and migration across different LC platforms.</li></ul><h4>3. Thermo Fisher Scientific: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_003231_hplc_peptide_level_analysis_monoclonal_antibodies_evaluation_po003231_na_en_31f6f13cf1.pdf">Performance evaluation of a new reversed-phase column for peptide mapping and monitoring of monoclonal antibodies</a></h4><ul><li>poster / <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/303">HPLC</a></li></ul><h5>Abstract</h5>Purpose: Demonstrating the benefits of the newly introduced Thermo Scientific Hypersil GOLD Peptide C18 column with 1.9 µm particle and 175 Å average pore size, in the dimension of 150 x 2.1 mm (L x ID) for the analysis of tryptic mAb digest samples.Methods: UHPLC-MS/MS peptide mapping and UHPLC-UV-MS peptide monitoring.Results: The Hypersil GOLD Peptide column enables to uniquely meet the demands of peptide level analysis where consistent lot-to-lot and column-to-column performance is required.<h5>Conclusions</h5>The two studies of peptide mapping and peptide monitoring demonstrate the benefits of the Hypersil GOLD Peptide column for peptide level biopharma analysis based on a comprehensive dataset obtained from rituximab and adalimumab digest samples.<ul><li>SET and SST criteria of retention time and peak area precision are easily met when using the Hypersil GOLD Peptide column.</li><li>The Hypersil GOLD Peptide column provides<ul><li>peaks with good asymmetry values, strong retention time and peak area reproducibility.</li><li>retains and separates hydrophilic peptides and has very good chromatographic resolution values for deamidated species in the PENNYK region.</li><li>excellent column lot-to-lot reproducibility with % RSD RT ≤ 0.6, and % RSD peak area ≤ 6.2 for peptides across the entire elution window.</li><li>consistent column-to-column results for the quantification of glycopeptides with % RSD of relative abundance ≤ 3.0.</li></ul></li></ul><h4>4. Shimadzu: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/ASMS_2024_LEIPP_WP_119_45a784b1d5.pdf">Development of a blood-based multiplex quantitative LC-MS method for neurodegenerative diseases patient stratification : towards an innovative diagnostic tool</a></h4><ul><li>poster / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li></ul>Introduction and objectives: Current neurodegenerative biomarkers measurements for diagnosis purposes are performed using CSF samples which requires invasive procedures for the patient. Besides, AD and other associated dementias are very complex pathologies that can have intricate symptoms and pathological deleterious effects. Therefore, the developed quantitative multiplex method includes 22 blood neuroinflammatory, brain function-linked, genetic and general state biomarkers for disease state evaluation and monitoring, patient stratification and differential diagnosis purposes.Conclusions and Perspectives: Further analytical validation would be performed to fully assess method performances (stabilities, intra-laboratory reproducibility). Then, large patient cohorts would be analyzed to evaluate and clinically validate this innovative tool and its capacity to differentiate diseases, severity and co-pathologies. Such tool would bring dementia diagnosis within the landscape of personalized medicine fostering better patient care.

News from LabRulezLCMS Library - Week 35, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezICPMS Library in week 35, 2024? Check out new documents from the field of spectroscopy, especially ICP/MS techniques!<blockquote><h4>👉 <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT ICPMS AND RELATED TECHNIQUES</a></h4></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">LabRulezGCMS</a> libraries.</blockquote>This week we bring to you a poster from <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/events/568">ASMS 2024</a> by Agilent Technologies, applications by Shimadzu, Thermo Fisher Scientific, and Metrohm!<h4>1. Agilent Technologies: <style type="text/css"></style><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/po_8900_esi_microfast_yeast_asms_2024_wp774_en_agilent_06b2ce4cfb.pdf">Elemental Analysis in Yeast Cells and Selenium Enriched Yeast Cells by ICP-MS with Automated Micro-Flow Sample Introduction</a></h4><ul><li>poster / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/296">ASMS 2024</a></li></ul>Introduction: Nanoparticle and single cell elemental analysis by ICP-MS has become popular in recent years due technological advancements in ICP-MS, as well as increasing needs for many other advancing fields of applications (1). In the current study, an automated, micro-flow autosampler in combination with an Inductively Coupled Plasma-Mass Spectrometry (ICP-MS) is used in the elemental analysis of nanoparticles and yeast cells. The sample introduction system is designed to deliver intact single cells or cell clusters to the plasma, while the ICP-MS offers high sensitivity for elemental determination within the cell or cell cluster. The preliminary results from this current study can potentially be applied to other applications, offering an easy and efficient way for high-throughput sample analysis.Conclusions: There is good agreement in the number of detected cells that contained the four elements, confirming the feasibility of the scICP-MS method for the measurement of multiple elements in single cells.<h4>2. <style type="text/css"></style>Shimadzu: <style type="text/css"></style><style type="text/css"></style><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00718_en_8760c1a035.pdf">Screening Analysis of 24 Elemental Impurity Elements in Drugs Using ICPMS-2040/2050</a></h4><ul><li>Application</li></ul>User Benefits<ul><li>Controlled elements can be verified by a screening analysis of 24 elemental impurity elements.&nbsp;</li><li>Use of the preset method in LabSolutions™ ICPMS makes it possible to begin the analysis simply without laborious study of conditions.</li><li>Study of candidate elements for internal standard correction is possible.</li></ul>Introduction: The ICH Q3D Guideline for Elemental Impurities 1) establishes permitted daily exposure (PDE) levels for 24 elements of toxicological concern. The elementsthat should be considered in risk assessments differ, depending on the administration route of the drug product. For oral preparations, only seven elements of Class 1 and 2A should be considered, except for the intentional addition of elements such as catalyst utilization during synthesis. However, the origins of contamination by elemental impurities are diverse, including not only the components of the drug substance and additives, but also manufacturing equipment and implements. Therefore, a screening analysis was carried out for all 24 elements, considering potential elemental impurities. In addition, when internal standard correction is to be used, as in a related article a, the content of candidate internal standard elements in the specimens must be verified in advance. In this article, a simple concentration analysis of the 24 elements in a drug product as elemental impurities was carried out using the preset method for screening analysis of drug products, which is included in the ICPMS-2040/2050 (Fig. 1). The concentration of the elements used in internal standard correction in the drug was also measured, and it was found that the elements can be used in correction.Conclusion: In this article, a simultaneous screening analysis of 24 elemental impurity elements in an oral drug product and candidate elements for internal standard correction was carried out using an ICPMS-2040/2050. The time and work necessary in study and registration of the analysis conditions and measured masses of the large number of elements in this experiment can be greatly reduced by using the preset method of the LabSolutionsICPMS software.<h4>3. <style type="text/css"></style><style type="text/css"></style>Thermo Fisher Scientific: <style type="text/css"></style><style type="text/css"></style><style type="text/css"></style><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an41218_oe_basic_inclusion_analysis_en_024ffa9f51.pdf">Iron and steel - ARL iSpark Plus Optical Emission Spectrometer - Basic inclusion analysis</a></h4><ul><li>Application</li></ul>Benefits&nbsp;<ul><li>Ultra-fast evaluation of some main inclusion types</li><li>Close to real-time inclusion check in up to hundreds of samples a day</li><li>More effective control of inclusiondependent steel properties</li><li>Helps reduce the number of costly issues caused by inclusions</li></ul>Basic inclusion analysisNon-metallic inclusions dramatically affect steel properties and cause process issues like nozzle clogging. The costs associated with bad steel properties, process issues or customer complaints may amount to several hundred thousand dollars every year. Controlling the formation and the modification of non-metallic inclusions has therefore become essential to the production of modern steels as demanded by today’s markets.The Thermo Scientific ARL iSpark Plus is a high-end metal analyzer that allows precise and accurate elemental analysis of steel. It also enables ultra-fast analysis of non-metallic inclusions, enabling a steel plant to control steel quality and production process even more effectively, and considerably reduce the costs associated with unwanted inclusions.The Basic Inclusion Analysis Spark-DAT (Spark Data Analysis and Treatment) option is the entry-level method for standard inclusion analysis in low alloy steel. It reports the amounts of some of the most common types of non-metallic inclusions together with the elemental concentrations, helping steel plants to guarantee the quality and the properties of the steel product, as well as the smooth running of the production process.Principles and details on Spark-DAT inclusion analysis can be found in the application note of the Standard Inclusion Analysis (AN41219).<h4>4. <style type="text/css"></style><style type="text/css"></style><style type="text/css"></style>Metrohm: <style type="text/css"></style><style type="text/css"></style><style type="text/css"></style><a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_nir_118_download_7c2174fc54.pdf">Quantification of cotton content in textiles by near-infrared spectroscopy</a></h4><ul><li>Application</li></ul>Fast, non-destructive determination of cotton with NIRSCotton and polyester are two of the most popular fabrics for creating garments. Polyester is a synthetic material produced from petrochemical products, and cotton is a natural and sustainable fiber harvested from cottonseeds. Polyester is the best choice for water-resistant, durable apparel, while cotton is better suited for breathable, cool summer clothing. Textile products must be labeled according to their fiber composition. The procedures for the determination of fiber composition include mechanical, chemical, and microscopic methods—all of which are time consuming. In contrast, nearinfrared spectroscopy (NIRS) is a fast and chemicalfree alternative. This Application Note shows how NIR spectroscopy can be used to determine the cotton content in textile products within 30 seconds.CONCLUSION&nbsp;This Application Note demonstrates the feasibility of NIR spectroscopy to determine the cotton percentage in textile blends quickly and easily. Vis-NIR spectroscopy offers users a fast, cost-effective, and highly accurate alternative to other standard testing methods.Additionally, NIRS analysis is non-destructive, completely reagent-free, and gives results in only 30 seconds.

News from LabRulezICPMS - Library Week 35, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezLCMS Library in the week of 16th September 2024? Check out new documents from the field of liquid phase, especially HPLC and LC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT LCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">LabRulezGCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring to you applications, technical notes, posters, and other documents by Agilent Technologies, Shimadzu, Thermo Fisher Scientific, Waters Corporation, Metrohm, and <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/313">Galochrom</a>!<h4>1. Galochrom: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/Chiral_ION_QN_and_Chiral_ION_QD_Brochure_10c44e1448.pdf">Galochrom Chiral ION-QN &amp; Chiral ION-QD</a></h4><ul><li>Brochure</li></ul><h5>Weak Anion-Exchanger (WAX) stationary phases for reliable chiral separation of acidic compounds</h5>Transform Your Chiral AnalysisWeak Anion-Exchanger (WAX) stationary phases for reliable chiral separation of acidic compounds One of the main challenges of today’s liquid chromatography is chiral separation of ionised and ionisable analytes, e.g., organic acids, amino acids, N-protected amino acids, amino acid mimics, etc. The most efficient approach to purify and resolve such troublesome racemates utilises ion exchange-type stationary phases that facilitate strong interactions between the chiral selector and the analyte.Galochrom introduces its own generic series of weak anion-exchangers, based on tert-butyl-carbamoylated Cinchona alkaloids quinine (QN) and quinidine (QD). These chiral phases have demonstrated excellent selectivity and improved peak resolution, resulting in highly accurate and replicable analyses. Our innovative manufacturing and strict quality control ensure that these generic columns not only outperform commercial alternatives, but also meet your technical requirements.Chiral <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1241">ION-QN</a> &amp; Chiral <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/products/1240">ION-QD</a> represent the most efficient approach to purify and resolve even the most challenging mixtures.<h5>Applications</h5>Chiral ION-QN &amp; Chiral ION-QD are ideal for enantioseparations of:<ul><li>N-protected amino acids</li><li>Aminophosphonic &amp; Aminosulfonic acids</li><li>Lactic &amp; Thiolactic acids</li><li>Clenbuterol &amp; Thyroxine</li></ul><h4>2. Metrohm: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_eis_004_download_4e13c9c1a9.pdf">Electrochemical Impedance Spectroscopy - Equivalent circuit models</a></h4><ul><li>Technical note</li></ul><h5>Electrochemical Impedance Spectroscopy</h5>Part 4 – Equivalent circuit modelsThe circuit elements which are described in Application Note AN-EIS-003 can be combined in series and in parallel to build equivalent circuit models which can then be used to model the various phenomena occurring at the electrochemical interface.This seven-part series introduces EIS and covers basic theory, experimental setups, common equivalent circuits used for fitting data, and tips for improving the quality of the measured data and fitting. This Application Note (part 4) provides example equivalent circuit models produced from the elements discussed in part 3. These models are among the most commonly encountered within electrochemistry research. The associated Nyquist plot is also shown for each model discussed.CONCLUSIONSThis Application Note shows how electrical elements can be arranged in order to build both simple and more complex equivalent circuits that can be used for fitting EIS data. The resulting Nyquist plots for all the equivalent circuits are shown as well.<h4>3. Thermo Fisher Scientific: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/wp_002641_ic_dionex_inuvion_ionic_small_polar_compounds_wp002641_na_en_9c0213a96b.pdf">Developing an ion chromatography system</a></h4><ul><li>Technical note</li></ul>IntroductionIon chromatography (IC) has become essential for analyzing ionic and small polar compounds. It has been applied in many areas, ranging from the analysis of drinking water, food and beverages, and cooling water to lithium-ion battery research, process quality assurance, and the presence of corrosives in liquified petroleum gas.IC can trace its origins to work done at what would become Dionex Corporation in the mid-1970s with the introduction of the first ion chromatograph in 1975, the Dionex™ Model 10 IC system. This system had the essential elements of an IC system: a pump, separating column, eluent suppressor, conductivity detector, and data recorder (Figure 1).This basic system provided adequate data, but several factors restricted sample throughput and required a considerable investment in labor and significant expertise to maintain. Column capacity and packed bed suppressor capacity were limited, and the instrument configuration was inflexible, constraining the type of samples that could be analyzed. Offline suppressor column regeneration was needed, the pressure tolerance was low, and the background conductivity was comparatively high. Furthermore, manual peak integration was required, eluent usage was significant, and there was substantial run-to-run variability. Since the Dionex Model 10 IC system, many innovations have been developed and incorporated into new systems to address these deficiencies. Additional advancements have enhanced robustness, reliability, user-friendliness, functional flexibility, and integrated data analysis. Ideally, an ion chromatograph will meet current customer demands while being adaptable to address potential future analytical needs.ConclusionThe progression from the Dionex Model 10 IC system to the sophisticated Dionex Inuvion IC system highlights the significant advancements that have been made in the field of IC. These advancements have not only addressed previous limitations but also introduced new features and capabilities that significantly enhance the performance, reliability, and user-friendliness of IC systems. As a result, the Dionex Inuvion IC system represents the current pinnacle in the ongoing development of IC technology, setting a new standard for what can be achieved in the analysis of ionic and small polar compounds.The Dionex Inuvion IC system is the result of state-of-the-art techniques and processes used to manufacture, design, and optimize essential hardware components such as pumps, instrument electronics, range-free detectors, and conductivity cells. This integration of advanced technology has resulted in a system that is not only reliable and robust but also flexible and user-friendly.As we look to the future, the field of ion chromatography will continue to evolve with new challenges and opportunities on the horizon. The Dionex Inuvion IC system is well-positioned to meet these challenges, providing laboratories with a reliable and efficient solution for their analytical needs. In conclusion, the Dionex Inuvion IC system represents a significant achievement in ion chromatography, solidifying Thermo Fisher Scientific's position as a leader in the industry.<h4>4. Waters Corporation: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/2024_asms_alelyunas_cellculturemediabioprocessing_27380a2953.pdf">A High Throughput LC-MS Method for Cell Culture Media Nutrient and Metabolite Analysis Supporting Upstream Bioprocessing</a></h4><ul><li>poster / <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/296">ASMS</a></li></ul>INTRODUCTIONA 9-minute rapid and direct liquid chromatography and mass spectrometry (LC-MS) analysis method for cell culture media (CCM) nutrients and metabolites covering 220+ compounds is described. The method is based on reversed phase chromatography where amino acids are directly detected without derivatization. This rapid method reduces turn-around time for monitoring and decision making using previously established user-friendly data review workflows and access to multivariate data analytics (MVDA). The method has been applied for the qualitative and quantitative determination of cell culture media nutrient and metabolite analysis in commercial cell culture media and spent media from process optimization in cNISTmAb production using NISTCHO cells. Monitoring of glucose directly from media using this method was also investigated and described.CONCLUSION<ul><li>A rapid throughput method based on 9 min data acquisition is described for cell culture media nutrient and metabolite monitoring.</li><li>The method uses less than 10 μL of spent media sample and has coverage of 220 compounds.</li><li>Comparison with the previous 20 min method suggests the same high-quality data and method robustness, even when the analysis time is shortened by 50%.</li><li>Combination of the rapid throughput method with Waters bioprocess walk-up solution2 can enable analytical scientist and bioprocess engineers to obtain high quality data easily and routinely for upstream bioprocess optimization.</li></ul><h4>5. Shimadzu: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_01_00767_en_135939ebe6.pdf">Automatic Optimization of Gradient Conditions by AI Algorithm for Impurity Analysis</a></h4><ul><li>Application</li></ul>User Benefits<ul><li>The AI algorithm of LabSolutions MD can automatically optimize gradient conditions to greatly reduce labor of LC method development.</li><li>Anyone can optimize gradient conditions, regardless of their experience in chromatography.</li><li>Gradient conditions that meet the resolution criteria for specified peaks are automatically searched (e.g., principal component and its related impurities).</li></ul>IntroductionIn the typical LC method development, the process begins with “preparation” which includes mobile phase preparation, column installation, and creation of analysis schedules, then the analysis is started. After that, the acquired data is analyzed and “preparation” for the subsequent analysis is carried out, followed by starting the next analysis again. The method development progresses by repeating these processes, but in addition to the significant time required to repeatedly create analysis schedules, expertise in chromatography is necessary to explore optimal conditions based on data analysis. In other words, typical method development requires “human intervention”. Therefore, eliminating human involvement and automating such method development processes would be desirable to improve labor efficiency. This article introduces an example of automatic optimization of gradient conditions to separate montelukast (a small molecule drug) and its related impurities using LabSolutions MD (<a target="_blank" rel="noopener noreferrer" href="https://www.shimadzu.com/an/sites/shimadzu.com.an/files/pim/pim_document_file/technical/technical_reports/22105/c190-e309.pdf">Technical Report C190-E309</a>), a dedicated software for supporting method development.ConclusionAutomatic optimization of gradient conditions using AI algorithm of LabSolutions MD was applied to montelukast and its related impurity. As a result, gradient conditions that met the criteria (“resolution for montelukast and related impurity &gt; 3.0” and “elution time of the last peak &lt; 15 minutes”) were successfully explored. This result indicates that significant labor saving in method development can be expected by LabSolutions MD. This article introduces an automatic optimization of gradient conditions in method development while LabSolutions MD also supports a series of workflow of method development, including the screening phase and robustness evaluation phase. For details, please refer to the Technical Report “<a target="_blank" rel="noopener noreferrer" href="https://www.shimadzu.com/an/sites/shimadzu.com.an/files/pim/pim_document_file/technical/technical_reports/14629/c190-e284.pdf">Efficient Method Development Based on Analytical Quality by Design with LabSolutions MD Software (C190-E284)</a>”.<h4>6. Agilent Technologies: <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_polar_nitrosamines_1260_infinity_ii_multisampler_5994_7589en_agilent_22cb1563ee.pdf">Improved LC/MS Performance to Determine Polar Nitrosamines Using the Agilent 1260 Infinity II Hybrid Multisampler</a></h4><ul><li>Application</li></ul>AbstractThis application note demonstrates the use of the Agilent 1260 Infinity II Hybrid Multisampler for the analysis of polar nitrosamines injected from organic solvents of high elution strength. The 1260 Infinity II Hybrid Multisampler is used under optimized feed speed conditions to trap and enrich the polar nitrosamines on the column. This avoids breakthrough and provides better peak shapes with more reliable quantification and improved detection limits.IntroductionWith the chemical synthesis of active pharmaceutical ingredients (APIs), impurities occur during chemical reactions. Genotoxic impurities (GTIs) are especially important because of their carcinogenic potential. To control the amount of GTIs, the U.S. Food and Drug Administration and the European Medicine Agency released guidelines for the maximum intake of GTIs with the daily dose of a drug depending upon the duration of application. According to these guidelines, the exposure to an individual genotoxic impurity must be below 1.5 μg/day for an application time longer than ten years.1 In 2018, the drug Diovan was withdrawn from the market due to an increased amount of the nitrosamine impurity N-nitrosodimethylamine (NDMA) in the included API valsartan.2,3 This application note describes the results achieved by the Agilent 1260 Infinity II hybrid injector for the analysis of nitrosamines injected from high organic solvents. The peak performance, like area precision, linearity, and sensitivity, will be discussed.ConclusionThis application note describes the comparative measurement of nitrosamines using the Agilent 1260 Infinity II Hybrid Multisampler in feed injection mode and classical flow through injection mode. With the application of an optimized feed injection method, highly polar nitrosamines in a solvent of high eluting strength can be separated with good peak shapes. With classical flow through injection, massive peak broadening or even breakthrough were observed. Peak area RSD and LOQs are typically lower by a factor of 3 to 5 with feed injection.

News from LabRulezLCMS Library - Week 38, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 30th September 2024? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!<blockquote>👉 <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/library">SEARCH THE LARGEST REPOSITORY OF DOCUMENTS ABOUT GCMS AND RELATED TECHNIQUES</a></blockquote><blockquote>👉 Need info about different analytical techniques? Peek into <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/library">LabRulezLCMS</a> or <a target="_blank" rel="noopener noreferrer" href="https://icpms.labrulez.com/library">LabRulezICPMS</a> libraries.</blockquote>This week we bring to you applications by Agilent Technologies, Waters Corporation, and Thermo Fisher Scientific, and a poster from <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/296">ASMS</a> by Shimadzu!<h4>1. Shimadzu: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/TP_093_Analysis_of_PFAS_in_Water_Final_05292024_8fa9fcb27d.pdf">Analysis of Volatile PFAS in Water Using Head-Space Solid Phase Microextraction- Gas Chromatography/Mass Spectrometry (HS-SPME GC/MS)</a></h4><ul><li>Poster / <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/companies/296">ASMS</a>&nbsp;</li></ul>Introduction&nbsp;Per- and Polyfluoroalkyl Substances (PFAS) are environmental pollutants with recognized health and environmental concerns due to their probable toxicity, persistence, and ubiquitousness throughout the environment, and consumer and industrial products. PFAS encompass a large family of chemicals with varying physicochemical properties. These properties not only affect their toxicity and environmental fate, but also complicates chemical analysis.In this work, a Head-Space Solid Phase Microextraction-Gas Chromatography/Mass Spectrometry (HS-SPME GCMS) analytical method was developed to analyze six classes of volatile PFAS in water. This HS-SPME method presents the advantage of simplifying sample extraction and handling for the analysis of volatile PFAS in water, hence, minimizing operational costs, potential errors, and risk of sample-cross contamination.ConclusionThis study demonstrated the use of a Shimadzu GC/MS-QP2020 NX single quadrupole instrument configured with the AOC-6000 Plus multifunctional autosampler and an automated head space solid phase microextraction unit for measurement of volatile PFAS compounds in water. Linear calibration curves were obtained for all compounds (R 2 ≥ 0.993 and RF %RSD &lt; 20 %). The HS-SPME GC/MS-QP2020 NX method demonstrated qualitative and quantitative capability of analyzing PFAS compounds.<h4>2. Thermo Fisher Scientific: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_003028_gc_ms_isq_epa_vocs_an003028_na_en_7646797ef5.pdf">Analysis of volatile organic compounds in drinking water according to U.S. EPA Method 524.4</a></h4><ul><li>Application</li></ul>GoalDemonstration of an analytical method that meets the requirements outlined in U.S. EPA Method 524.4 for the quantitation of volatile organic compounds (VOCs) in drinking water, using the Teledyne LABS Tekmar Lumin Purge and Trap (P&amp;T) concentrator paired with the AQUATek LVA autosampler system along with a Thermo Scientific™ ISQ™ 7610 MS system coupled with a Thermo Scientific™ TRACE™ 1610 gas chromatograph (GC) and Thermo Scientific™ Chromeleon™ Chromatography Data System (CDS). Target analyte linearity, method detection limit (MDL), minimum report level (MRL), and mid-point precision and accuracy were assessed to evaluate method performance.Keywords: EPA, U.S. EPA 524.4, VOCs, phthalates, trace analysis, gas chromatography, single quadrupole mass spectrometry, selected ion monitoring, sensitivity, GRO, THM, volatiles, environmental lab, environmental sample analysis, analytical testing laboratories, ISQ 7610 MS, TRACE 1610 GC, GC-MS.IntroductionVolatile organic compounds (VOCs) are man-made contaminants in various products that pose environmental and public health risks. These compounds are regulated in drinking water, and laboratories follow regulations including U.S. EPA Method 524.2.1 A previous application note described U.S. EPA Method 524.2,2,3 which is the most common method for VOC water testing in the USA. U.S. EPA Method 524.4 is an updated method that allows for nitrogen to be used as the purge gas, thus reducing helium consumption, and is now being more widely used. Targeting 75 VOCs, this method differs by offering more method parameter flexibility but stricter quality control, including the stringent calculation of the minimum reporting level for evaluating calibration checks.Implementing U.S. EPA Method 524.4 can present multiple challenges for laboratories. Striking a balance between optimized method conditions and meeting the acceptance criteria, like detection limit requirements for various compound concentrations, is pivotal. Another major hurdle is managing the water matrix to minimize GC-MS system water introduction, which could lead to detrimental effects and delay sample reporting, thereby increasing public safety risks. Ultimately, maintaining consistency in test results to avoid sample reanalysis is crucial. Another factor for laboratories to consider is the fluctuating cost of helium, which is the analytical gas of choice for this analysis. Reducing the use of helium—a limited resource—will enable the laboratory to reduce operational costs and increase profitability.The following evaluation describes the use of the ISQ 7610 GC-MS system coupled with a TRACE 1610 GC with the Thermo Scientific™ HeSaver-H2Safer™ split/splitless injector and Teledyne LABS Tekmar Lumin P&amp;T concentrator paired with the AQUATek LVA autosampler for U.S. EPA Method 524.4.ConclusionThe combined solution of the TRACE 1610 GC coupled with the ISQ 7610 system and the Tekmar Lumin P&amp;T concentrator with the AQUATek LVA autosampler system successfully addresses the challenges of VOC analysis and provides a robust, sensitive solution needed for ensuring maximized sample throughput and regulatory method compliance for U.S. EPA Method 524.4.<ul><li>Excellent linearity for all compounds was demonstrated with the linear regression (r²≥0.995) of the calibration response factors passing all method requirements.</li><li>MDL and precision for seven 0.5 ppb standards showed no interference from excessive water and produced very reproducible results.</li><li>The precision for n=30 samples over 245 injections displayed &lt;30% RSD for all compounds as the method requires and an average recovery of 91%.</li><li>Utilizing HeSaver-H2Safer technology reduced helium consumption for the method by 4 times, which provides a significant cost savings.</li></ul><h4>3. Waters Corporation: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/720008298_en_db4158391c.pdf">Extractables Analysis of Nasal Spray Devices Using Gas Chromatography and High- Resolution Mass Spectrometry With Soft Ionization</a></h4><ul><li>Application</li></ul>AbstractDue to concern about the safety of components from plastic, it is crucial to screen for and identify potential extractables and leachables (E&amp;L) in pharmaceutical packaging and medical devices. For volatile, and semi-volatile compounds, gas chromatography-mass spectrometry (GC-MS) with electron ionization (EI) is typically used. Compounds are determined using scientific libraries; however, where compounds are not listed or where the sensitivity of EI-MS is not sufficient, the identification process becomes challenging.Here, we describe an E&amp;L screening experiment using gas chromatography and a quadrupole time of flight high-resolution mass spectrometer (QToF-HRMS) with atmospheric pressure gas chromatography (APGC) for soft ionization. A data independent acquisition (DIA) strategy is utilized to aid screening and elucidation which are combined in a screening software solution.Benefits<ul><li>GC-QToF MS with APGC as an orthogonal technique to LC-QToF-MS allows for comprehensive compound coverage with increased sensitivity compared to typical EI techniques</li><li>The UNIFI™ application within the waters_connect™ platform provides customized workflows to simplify screening and structural elucidation in complex datasets</li><li>The Xevo™ G3 QTof Mass Spectrometer enables confident identification of E&amp;L components in complex matrices through novel ion optics and detection system which maximize transmission</li><li>Soft ionization using the APGC™ source allows for the detection of molecular ions from which elemental compositions can be derived to aid compound identification and confirmation&nbsp;</li><li>MSE, a data independent acquisition, increases confidence in identifications when screening against a library and provides additional information to aid structural elucidation</li></ul>Conclusion&nbsp;When undertaking E&amp;L screening analyses it is important to use a range of analytical techniques to account for different compound chemistries. GC-QToF MS with APGC as an orthogonal technique to LC-QToF-MS allowed for comprehensive compound coverage with increased sensitivity compared to typical EI techniques. Due to the soft ionization of APGC, the intact molecular ion is often present in the spectra. This combined with a data independent acquisition, MSE mode, utilizes full spectral acquisition of the accurate mass information of both precursor and fragment ions.This approach boosts confidence in component identifications when screening against an MS/MS library, while minimizing false positives. For instance, in the LC-QToF-MS there were just under 40 potential compounds matches in sample E48 after considering factors such as retention time match, mass accuracy below 3 ppm, and the presence of at least one fragment ion. A further 38 compound matches in sample E48 were tentatively identified using GC-QToF MS with APGC, with mass accuracy below 3 ppm, and the presence of at least one fragment ion.MSE data also aids in the structural elucidation of unknown substances by utilizing accurate mass and corresponding fragment ions, facilitating comprehensive characterization. This data increases confidence in identifications of components and assists with structural elucidation of unknowns to ultimately aid full characterization. For example an unknown with protonated m/z 284.2703 was tentatively identified as a N-(2-(1-piperazinyl)ethyl)decanamide (mass error 2.33 ppm) by the software.For the extractables analysis of nasal sprays the UNIFI application within the waters_connect platform provided SST benchmarking, screening against a library, summary plots to identify trends, filtering of AET levels, binary compare mode to isolate relevant unknowns, and a Discovery Tool for elucidation of unknowns.<h4>4. Agilent Technologies: <a target="_blank" rel="noopener noreferrer" href="https://gcms.labrulez.com/labrulez-bucket-strapi-h3hsga3/an_voc_rubber_gasket_extracts_gc_msd_5994_7777en_agilent_6a0a6bf7d0.pdf">Analysis of Volatile Compounds Identified in Rubber Gasket Extracts Using GC/MSD and High-Resolution GC/Q-TOF</a></h4><ul><li>Application</li></ul>AbstractChemicals that are part of polymeric container closure systems (CCS) and drug delivery systems have the potential to migrate into drug products during manufacturing, storage, transport, and delivery, and must be identified in the final products to ensure their safety.This application note presents a rubber gasket extractables study using a unit mass resolution gas chromatography/mass selective detector (GC/MSD) and a high-resolution gas chromatography/quadrupole time-of-flight (GC/Q-TOF) mass spectrometer to establish a process for identifying GC-amenable extractables and leachable (E&amp;L) compounds.IntroductionElastomeric gaskets, plungers, and O-rings are common sources of leachable compounds in the manufacturing, storage, and delivery of drug products. E&amp;Ls derived from elastomeric components may impact the stability and efficacy of small and large molecule drug products1, and therefore need to be characterized thoroughly. Exposure to some E&amp;L chemicals, such as phthalates and nitrosamines, even at low levels, may cause safety concerns.2 Chemicals derived from the elastomer manufacturing process typically include accelerators, activators, antioxidants, fillers, plasticizers (including phthalates), mold release agents, and other additives3 that may leach into the final product. Some additives present in elastomer packaging materials may also contain polycyclic aromatic hydrocarbons (PAHs)4 and aliphatic hydrocarbons.GC/MS is a commonly used technique for analyzing volatile and semivolatile organic compounds in the E&amp;L space. This study demonstrates the capabilities of GC/MSD to identify GC-amenable compounds present in a solvent extract of a rubber gasket by leveraging chromatographic deconvolution in combination with retention index (RI)-based filtering. Adding a high-resolution accurate mass GC/Q-TOF into the E&amp;L workflow provided a higher number of identified chemicals. It also increased confidence in compound identification and enabled structure elucidation of unknown compounds.The study was performed in the Network Workstation configuration using Agilent OpenLab Electronic Content Management (ECM) XT as the data repository. This configuration enabled tools that facilitate compliance with various national and EU electronic record regulations, including audit trails, user authentication, role-based permission controls, and remote data storage.5ConclusionThe GC/MSD is an effective and accessible tool for the analysis of volatile and semivolatile compounds in complex E&amp;L extracts. The established workflow includes deconvolution and an RI-based library search with the data acquisition performed in a compliant environment.The high-resolution Agilent 7250 GC/Q-TOF enabled the identification of additional components with increased confidence, as well as structure elucidation of the unknown compounds.Furthermore, using the novel ultra-low bleed Agilent J&amp;W DB-5Q GC column resulted in a significant decrease in background, which helps in the identification of late-eluting compounds.

News from LabRulezGCMS Library - Week 40, 2024

<blockquote>Maciej Stopa 1,2, Julia Mironenka1, Rafał Szewczyk1,2, Anna Lenartowicz1, Adrian Soboń1,2, Katarzyna Krupczyńska-Stopa1,2, Andrzej Kwaśnica31. LabExperts sp. z o. o., Gdańsk, Poland; 2. <a target="_blank" rel="noopener noreferrer" href="https://lcms.labrulez.com/companies/315">Bioanalytic</a> sp. z o. o., Gdańsk, Poland; 3. Lab4Tox sp. z o. o., Wrocław, Poland</blockquote><h4>Introduction</h4>The precision, reproducibility and trueness of the result in forensic analysis is crucial. The accuracy of sample preparation during the psychoactive compounds quantitation is one of the key aspects. Automatic sample preparation minimize mistakes caused by poor performance of the analysis, discrepancies between analysts habits or different days of analysis. Accurate analytes detection relies on efficient extraction, low detection limits and maintaining the efficiency and cleanliness of LC-MS/MS system. Liquid-liquid extraction, by default, are less amenable for automation, and may be challenging because of large amount of sample preparation steps. This work shows the effective translation from manual method to semi-automated procedure of determination of 34 psychoactive compounds from human plasma using LC-MS/MS method.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Bioanalytic_How_to_improve_the_precision_of_analysis_semi_automated_sample_preparation_for_psychoactive_compounds_quantification_in_human_plasma_Figure_1_Semi_automated_sample_07f1c50562.jpg" alt="Bioanalytic: Figure 1 - Semi-automated sample preparation protocol using Hudson SOLO automatic pipette station with Hudson SOLO Soft and SoftLink V protocol Editor." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Bioanalytic_How_to_improve_the_precision_of_analysis_semi_automated_sample_preparation_for_psychoactive_compounds_quantification_in_human_plasma_Figure_1_Semi_automated_sample_07f1c50562.jpg 123w," sizes="100vw" width="805" height="1021"><h4>Methods</h4>Liquid-liquid extraction is sufficient method to determine the amount of psychoactive compounds in human plasma. &nbsp;Sample preparation procedure developed using Hudson SOLO automatic pipette station with Hudson SOLO Soft and SoftLink V Protocol Editor include deproteinization and extraction, dissolution and transfer to a plate compatible with an LC autosampler in 100 minutes. Chromatography run was performed using ExionAC equipped with Fortis H2O C18 column. The method was run in reverse phase mode, using as mobile phases acidified with formic acid both, water and acetonitrile. Mass spectrometry was performed using &nbsp;ZenoTOF 7600 (SCIEX), with following conditions: positive electrospray scheduled MRMhr mode acquiring full MS/MS spectra. The data analysis including compound identification and quantification was performed with SciexOS 3.3 software.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Bioanalytic_How_to_improve_the_precision_of_analysis_semi_automated_sample_preparation_for_psychoactive_compounds_quantification_in_human_plasma_Table_1_Part_A_The_comparison_136f3d2667.jpg" alt="Bioanalytic: Table 1. Part A - The comparison of manual vs-semi automated sample preparation precision; Part B: The results of method of semi-automated sample preparation." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Bioanalytic_How_to_improve_the_precision_of_analysis_semi_automated_sample_preparation_for_psychoactive_compounds_quantification_in_human_plasma_Table_1_Part_A_The_comparison_136f3d2667.jpg 129w," sizes="100vw" width="1008" height="1217"><h4>Preliminary data</h4>Blood is&nbsp; easy to obtain information-rich matrix. It have only one disadvantage – it cannot be easily analyzed with LC-MS/MS. Preparation of a multimethod for psychoactive compounds determination which &nbsp;characterized by a different chemical properties requires complex and strict sample preparation to achieve accurate detection and compound presence confirmation. Unfortunately, in complex extraction steps are difficult to postpone due to various activities that has to be undertaken including – mixing, centrifugation, sample aspirations and evaporation. In this work, we show the possibility to transfer steps of aspiration, dilution, heating and mixing during the sample preparation on an automatic high precision pipette station. Other steps including centrifugation and evaporation were done manually. Beside the shortening of sample preparation time, which allows to perform the analysis of 96 samples in less than 2 hours, the results are subjected to less preparation error. Such configurations allow a substantial increase of sample throughput and convenience when compared to standard protocols. As a result of this translation, better repeatability (%CV ≤ 15%), maintaining a wide range of linearity (LLOQ-50 ng/ml) which met the validation criteria (R ≥ 0.995) of the method was achieved. An additional advantages of using automation – the analyst’s exposure to blood obtained from contractors is reduced. Also, automated protocol minimize the risk of losing valuable samples avoiding cases of human error.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Bioanalytic_How_to_improve_the_precision_of_analysis_semi_automated_sample_preparation_for_psychoactive_compounds_quantification_in_human_plasma_Figure_2_Chromatographic_separation_1f0e513084.jpg" alt="Bioanalytic: Figure 2: Chromatographic separation of analytes included in multi-method of psychoactive compounds quantitative determinantion [c=25 ng/ml]." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Bioanalytic_How_to_improve_the_precision_of_analysis_semi_automated_sample_preparation_for_psychoactive_compounds_quantification_in_human_plasma_Figure_2_Chromatographic_separation_1f0e513084.jpg 245w," sizes="100vw" width="2841" height="923"><h4>Novel aspect</h4>Automated method offers excellent repeatability and high accuracy of psychoactive compounds determination in human blood.

How to improve the precision of analysis – semi-automated sample preparation for psychoactive compounds quantification in human plasma

<blockquote>Julia Mironenka1, Rafał Szewczyk1,2, Katarzyna Krupczyńska-Stopa1,2, Maciej Stopa 1,2&nbsp;LabExperts sp. z o. o., Gdańsk, Poland; 2. Bioanalytic sp. z o. o., Gdańsk, Poland;</blockquote><h4>Introduction</h4>Antibiotics are commonly used in therapy of infectious diseases. Their overuse to increase animal productivity, including honey production, has become a serious problem in food safety regulations. High doses of antibiotics used by farms, find their way into the end products that enter human consumption. Honey is a valuable product, often used in medicine and as a dietary ingredient. All the sweetness of honey disappears when it reaches the laboratory as a matrix for LC-MS/MS analysis, due to the great diversity of components content between each, or even the same kind of honey. In this work we have focused on the development of highly reproducible and precise method of 57 antibiotics determination by LC-MS/MS in honey, regardless of its origin.<h4>Methods</h4>Sample preparation is based on modified QuEChERS method. The honey samples after enrichment with known concentrations of analytes were hydrated using acidified water, heated and sonicated until sugar dissolved. Next, after mixing with acidified acetonitrile solution, samples were desalted using ready to use QuEChERS sachets and filtered with PVDF syringe filter. &nbsp;Before the LC-MS/MS analysis samples were diluted with water. Data were acquired on QTRAP 5500+ (SCIEX) mass spectrometer coupled with ExionAC LC (SCIEX) and processed with SciexOS 2.2 software. The LC-MS/MS analysis was performed in positive ionization sMRM mode during reversed phase 12-min separation on Fortis H2O C18 chromatographic column. Mobile phases consisted of water, acetonitrile and formic acid additive.<figure class="image image_resized" style="width:50%;"><img style="aspect-ratio:362/1175;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Bioanalytic_How_to_deal_with_sweet_matrix_a_method_for_LC_MS_MS_analysis_of_antibiotics_in_honey_regardless_of_its_kind_Fig_1_Sample_preparation_procedure_efcd25086b.jpg" alt="Bioanalytic: Fig 1. Sample preparation procedure." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Bioanalytic_How_to_deal_with_sweet_matrix_a_method_for_LC_MS_MS_analysis_of_antibiotics_in_honey_regardless_of_its_kind_Fig_1_Sample_preparation_procedure_efcd25086b.jpg 48w," sizes="100vw" width="362" height="1175"></figure><h4>Preliminary data</h4>Honey is a complex matrix that consists of over 180 components. Depending on the origin, type and bees, the ingredients are present in different amounts, which undoubtedly affects its properties. Developing a repeatable extraction method for one compound becomes a challenge. In the present work a multimethod for 57 analytes from 10 different classes of antibiotics was developed. The optimization of the sample preparation method consisted of: selection of solvents and pH of the solutions, concentration of additives, time of sonication and extraction, dissolution ratio and method of cleaning the sample before LC-MS/MS analysis. The intensity and shape of signals of samples subjected to evaporation under nitrogen concentration and dissolved in the initial phase of the chromatographic method were compared to samples analyzed immediately after extraction with different water dilutions. The present method allows sample preparation without time-consuming stage of evaporation followed by residues dissolving.The efforts devoted to method development resulted in obtaining averaged recovery of tetracyclkines, cefalosporins, sulfonamides and fluorochinones was found to be 106.4%. The linearity (R&lt;0.995) covered wide concentration range 0.5-500 µg/kg. LLOQ for most macrolides (tylosin, spiramycin, tilmicosin) and tetracyclines (doxycycline, chlorotetracycline, 4-epi-chlorotetracycline) was 0.5 µg/kg, for some of beta-lactams (nafcillin, cloxacillin, oxacyllin) was 0.1 µg/kg and for some sulfonamides (sulfadimethoxine, sulfachinoxaline, sulfchloropyrazine) reached 0.05 µg/kg. Thanks to a laborious optimization process excellent repeatability for 10 different honeys obtained from local beekeepers was achieved. The accuracy and precision for the whole set of honeys was lower than 20% in the working range of the assay.<img src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Bioanalytic_How_to_deal_with_sweet_matrix_a_method_for_LC_MS_MS_analysis_of_antibiotics_in_honey_regardless_of_its_kind_Table_1_The_results_of_method_validation_6a3be83107.jpg" alt="Bioanalytic: Table 1. The results of method validation." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Bioanalytic_How_to_deal_with_sweet_matrix_a_method_for_LC_MS_MS_analysis_of_antibiotics_in_honey_regardless_of_its_kind_Table_1_The_results_of_method_validation_6a3be83107.jpg 245w," sizes="100vw" width="2126" height="1166"><figure class="image"><img style="aspect-ratio:897/575;" src="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/Bioanalytic_How_to_deal_with_sweet_matrix_a_method_for_LC_MS_MS_analysis_of_antibiotics_in_honey_regardless_of_its_kind_Table_2_Table_3_Table_4_58dd61a3ef.jpg" alt="Bioanalytic: Table 2. Ion source parameters; Table 3. sMRM scan parameters; Table 4. General LC-MS parameters." srcset="https://storage.googleapis.com/labrulez-bucket-strapi-h3hsga3/thumbnail_Bioanalytic_How_to_deal_with_sweet_matrix_a_method_for_LC_MS_MS_analysis_of_antibiotics_in_honey_regardless_of_its_kind_Table_2_Table_3_Table_4_58dd61a3ef.jpg 244w," sizes="100vw" width="897" height="575"></figure><h4>Novel aspect</h4>The effective analytical procedure for the determination of 57 antibiotics residues from different honey samples in one LC-MS/MS run.

How to deal with sweet matrix? – a method for LC-MS/MS analysis of antibiotics in honey, regardless of its kind

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LabRulez

Bioanalytic started its operations in 1998. The company was born from a passion for science and the need to provide innovative solutions in the laboratory equipment market, from a small business to a dynamically developing company with an established position.

How to deal with sweet matrix? – a method for LC-MS/MS analysis of antibiotics in honey, regardless of its kind

How to improve the precision of analysis – semi-automated sample preparation for psychoactive compounds quantification in human plasma

News from LabRulezGCMS Library - Week 40, 2024

News from LabRulezLCMS Library - Week 38, 2024

News from LabRulezICPMS - Library Week 35, 2024

News from LabRulezLCMS Library - Week 35, 2024

News from LabRulezGCMS Library - Week 35, 2024

News from LabRulezICPMS - Library Week 34, 2024

News from LabRulezLCMS Library - Week 34, 2024

News from LabRulezGCMS Library - Week 34, 2024

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Thermo Fisher Scientific Omics User Meeting 2026

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Webinars

Overcoming Key Challenges in Microplastics Analysis

GLP‑1 Analogs: Enhancing Impurity Profiling with LC‑UV/MS Workflows

Tackling Bispecific Antibody Purification: A Polishing Case Study