News from LabRulezGCMS Library - Week 45, 2024

Our Library never stops expanding. What are the most recent contributions to LabRulezGCMS Library in the week of 4th November 2024? Check out new documents from the field of the gas phase, especially GC and GC/MS techniques!

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This week we bring you applications by Agilent Technologies, Thermo Fisher Scientific, and Shimadzu!

1. Shimadzu: Analysis of Ethylene Glycol and Diethylene Glycol in Glycerin, Propylene Glycol and Sorbitol Solutions (Indian Pharmacopoeia Monographs)

• Application

User Benefits

• Brevis GC offers advanced capabilities for the detection of EG and DEG contamination in the raw materials (glycerin, propylene glycol, and sorbitol solutions) used for manufacturing medicinal syrup.
• Brevis GC coupled with the AOC-30i autosampler can obtain highly reproducible results using the proposed workflow.
• The configuration proposed in the application news exceeds the requirement specified in the IP monographs.

 Introduction

Ethylene glycol (EG) and diethylene glycol (DEG) are classified as toxic alcohols. These chemicals are colorless, odorless, and water-soluble. There have been multiple incidents involving the deaths of children due to medicinal cough syrups contaminated with these impurities. These impurities often originated from the raw materials (such as glycerin, propylene glycol, and sorbitol solutions) or excipients used in their formulation (1-2). Substandard and falsified raw materials frequently enter the excipient supply chain, causing significant challenges for drug manufacturers and egulatory bodies. The complexity of the global supply chain, which often involves importing raw materials from various countries, worsened this issue. Therefore, it is crucial to frequently test these raw materials upon receipt to prevent the reoccurrence of such incidents and protect public health.

This application news demonstrates the use of GC-FID for analyzing EG and DEG contaminants in glycerin, propylene glycol (PG), and sorbitol solutions (70%) (both crystallizing and non-crystallizing) in accordance with the Indian Pharmacopoeia (IP) monographs. Shimadzu’s Brevis GC, featuring a compact design with a width that is approximately 35% smaller than existing GC models, is used in this experiment (Fig. 1). This design allows the Brevis GC to occupy less space in the laboratory and to be eco-friendly with reduced power consumption, while maintaining analytical performance and enhancing productivity.

Conclusion

In this study, the analysis of EG and DEG in three types of raw materials was successfully performed using the compact Brevis GC coupled with AOC-30i. Despite its small size, the Brevis GC demonstrated excellent capability in analyzing EG and DEG impurities in the raw materials according to the IP monographs, making it an ideal and more eco-friendly solution for this application.

2. Thermo Fisher Scientific: Improved laboratory productivity with a single GC-MS/MS configuration for multipurpose environmental analysis

• Application

Goal

This application note will highlight a single instrument configuration, based on triple quadrupole GC-MS, to perform the analysis of various compound classes commonly monitored in the environment. This will allow laboratories to standardize on a single hardware configuration and hence greatly facilitate laboratory capacity, instrument- and consumables management, as well as streamlining staff training.

Introduction

Analytical testing laboratories play a pivotal role in monitoring common contaminants in different matrices. While data quality and compliance with established regulated methods is key in ensuring a laboratory’s reputation, productivity and fast sample turnover times are equally important to ensure profitable operation.

In the field of environmental monitoring, a large variety of compound classes may be required for analysis, including both common and emerging contaminants. For volatile and semi-volatile substances, gas chromatography is the method of choice for separating pesticides, polyaromatic hydrocarbons (PAHs), flame retardants such as polybrominated diphenyl ethers (PBDEs), and others. In many cases, due to previously existing methodologies, samples need to undergo several analyses on different instrument configurations, with either specific consumables, including the analytical column or a dedicated detector. This leads to a variety of protocols and potential instrument setups required in a laboratory, some of which must be run in a dual-column configuration or a confirmation on a separate instrument using a second injection is required.

While mass spectrometric detection provides a much higher selectivity than analog detectors, only triple quadrupole systems provide the selectivity needed to effectively leverage selected rection monitoring (SRM) as a tool for method standardization and consolidation. The power of triple quadrupole mass spectrometry can be easily used to modernize existing workflows. Laboratories can reduce their need for instrument-specific consumables and components on-hand to reduce costs and complexity with a single instrument configuration. This application demonstrates the use of a single hardware configuration for the analysis of different environmental contaminants.

Conclusion

The utilization of a single configuration GC-MS/MS for multiple environmental methods has been demonstrated in this application note. As well as being able to meet the regulatory requirements for different compound classes, there are advantages to using a single configuration for multiple analysis:

• Reduction in operation cost, including reduced training needs and centralization of consumables
• Ability to react and be ready to run the required method without lengthy set up or changing instrument analytical column and hardware
• Increase in instrument capacity as all systems can run all methods

The Thermo Scientific GC-MS/MS system also increases productivity:

• The TRACE 1610 GC has a unique module design allowing injectors and detectors to be exchanged by the user and maintenance to be performed rapidly offline. The TSI injector allows a wider range of compound classes with different volatilities to be covered in a single injection. The easy-to-use touch screen provides real-time monitoring of the system and video tutorials for quick adoption.
• The TSQ 9610 GC-MS/MS is equipped with Thermo Scientific™ NeverVent™ technology, which allows the GC column to be exchanged, the ionization source to be removed, and filaments to be removed without the need for breaking vacuum. This allows routine maintenance to be performed in minutes and increases system uptime drastically.

In summary, this single GC-MS/MS configuration can greatly simplify the workflows of environmental laboratories and increase efficiency and productivity, reduce costs, and maximize revenue.

3. Shimadzu: Study on the Mechanism of Early Delivery by Multi-Omics Analysis of Metabolites, Elements and Bacterial Flora in Amniotic Fluid

• Application

Abstract

A gas chromatograph mass spectrometer (GCMS-TQ™8040 NX) and an energy-dispersive X-ray fluorescence spectrometer (EDX-7200) were used to analyze metabolites (488 components) and elements (78 elements) contained in the amniotic fluid of pregnant women. These data were combined with amniotic fluid microbiota (approximately 250 species of microorganisms) measured using a miniature next-generation sequencer
(MinION Mk1C System, Oxford Nanopore Technologies, Inc.) and 16 items of labor data (e.g., neonatal weight) to analyze differences between preterm and normal births. Volcano plot and metabolic pathway analyses were performed using Multi-omics Analysis Package based on the 740 items detected. In this application, we introduce an example of multi-omics analysis conducted by gender and time series.

Introduction

Preterm delivery refers to delivery at a gestational age of 22 weeks or less than 37 weeks, which can have a significant impact on the health and development of the newborn and the life of the family. This problem occurs worldwide: in 2020, 1/10 of all births were preterm¹⁾ (Fig. 1). Prematurity is the leading cause of early childhood mortality, so there is an urgent need to promote research on preterm birth.

However, the global rate of premature birth reduction from 2010 to 2020 was only 0.14 %, indicating that the birth cycle has not improved. It is known that preterm birth is closely related to amniotic fluid, and it is used as a research object in preterm birth²⁾. Amniotic fluid is approximately 500 mL of water, contains fetal urine, sloughed cells, inflammatory substances, etc., and is a valuable source of information for understanding
fetal growth and health³⁾. Measuring metabolites in amniotic fluid helps assess the fetus's metabolic activity and nutritional status. Elemental measurements can also determine the extent of fetal development and environmental exposure. It is also essential to measure the bacterial flora in the amniotic fluid. It has been found that about 80 % of preterm births occur in pregnant women who have a chain of bacterial infections from the vagina to the uterus and from the uterus to the amniotic fluid ⁴⁾.

In this study, we used a gas chromatograph mass spectrometer GCMS-TQ8040 NX, an energy-dispersive X-ray fluorescence spectrometer EDX-7200, and a miniature next-generation sequencer MinION Mk1C to measure primary metabolites, elements, and flora in the amniotic fluid of preterm and term pregnant women (Fig. 2). These data were combined with 16 birth delivery data items (e.g., female age, newborn weight, etc.),
and the differences in amniotic fluid content between preterm and term births were visualized using Multi-omics Analysis Package.

Conclusion

Amniotic fluid from 6 pregnant women (3 preterm births and 3 term births) was measured using a next-generation sequencer (MinION Systems, Oxford Nanopore Technologies, Inc.), a gas chromatography-mass spectrometer (GCMS-TQ8040 NX), and an energy-dispersive X-ray fluorescence spectrometer (EDX-7200) to evaluate the intestinal microbiota (approximately 250 species of microorganisms), metabolites (approximately 500 components), and elements (approximately 80 elements). Metabolic pathway analysis was performed using Multi-omics Analysis Package based on approximately 700 items detected.

In metabolic pathway analysis, not only the accumulated amount of metabolites, but also the ratio of product/substrate or its reciprocal substrate/product was automatically created in Multi-omics Analysis Package and used as a new variable to be read into class cluster analysis, etc., thereby enabling statistical analysis from a perspective different from the accumulated amount.

4. Agilent Technologies: Highly Selective GC/TQ Analysis of 57 Allergens in Cosmetic Products

• Application

Featuring the Agilent 8890 GC and Agilent 7000E GC/TQ systems

Abstract

With the expansion of the list of potential allergens, cosmetics manufacturers need to identify, quantify, and label the contents in their products. Cosmetic products are complex mixtures, which can be challenging to analyze due to the presence of many compounds that could cause chromatographic and spectral interferences.

In this application note, an Agilent 8890 GC with a dual-column setup and an Agilent 7000E GC/TQ provide high selectivity for the analysis of 57 allergen fragrance substances and their relevant isomers in cosmetic products. This GC/TQ method is quickly and easily transferred from an existing gas chromatograph/mass selective detector (GC/MSD) method using Agilent MassHunter Optimizer software. The high selectivity and reliable quantitation of the GC/TQ method increase confidence in data by reducing uncertainty caused by coelution and therefore the risk of false positives and negatives.

Introduction

Allergens include diverse compounds, both synthetic and natural, that cause allergic reactions in sensitive people. Allergens can be found in many cosmetic products, including shower gels, soaps, shampoos, creams, makeup, etc. These compounds are often not intentionally added to cosmetics
during manufacturing, but are substances contained in the base ingredients that make up the final product. This work focuses on a method to determine allergens commonly found in fragrance substances.

Regulating agencies around the world have—and are frequently updating—regulations around allergens in consumer products, like cosmetics and fragrances. In 2012, the European Scientific Committee on Consumer Safety (SCCS) identified 87 fragrance substances that can cause allergies in humans. So, in 2023, the European Commission published Regulation 2023/1545, amending Regulation (EC) Number 1223/2009 of the European Parliament and of the Council, concerning the labeling of allergenic substances in cosmetic products.¹ The new regulation expanded the historical list of 26 allergens to 87 compounds.

These regulations are not limited to Europe. The Modernization of Cosmetics Regulation Act of 2022 (MoCRA) is the most significant expansion of the U.S. Food and Drug Administration’s authority to regulate cosmetics since the Federal Food, Drug, and Cosmetic (FD&C) Act was passed in 1938.² These updated laws and regulations help to ensure the safety of cosmetic products. To determine the presence of allergens in cosmetics, a sensitive and selective analytical technique is required, such as analysis by GC/TQ.

Conclusion

Migrating an established GC/MSD-based allergen analysis to GC/TQ is quick and easy, and it improves method selectivity. The same chromatographic and MS source method parameters, columns, and consumables can be used for the new GC/TQ method. For the new MS acquisition method, Agilent MassHunter Optimizer software can be automated to determine optimal MRM transitions for the GC/TQ method using the SIM ions from the original GC/MSD method. The resulting improved GC/TQ method selectivity increases confidence in data, reducing the risk of false positives and negatives for coeluting target allergens. The new GC/TQ method in this work provides reliable quantitation for the analysis of 57 allergen fragrance substances and their relevant isomers in cosmetic products using an Agilent 8890 GC with an Agilent 7000E GC/TQ.