Journal of chromatography open最新文献

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Advanced two-dimensional liquid chromatography workflow for enhanced resolution of protein components in Indian Cobra (Naja naja) venom using hydrophobic interaction-reverse phase chromatography coupled with mass spectrometry 利用疏水相互作用-反相色谱-质谱联用技术提高印度眼镜蛇(Naja Naja)毒液中蛋白质成分分辨率的先进二维液相色谱工作流程
Journal of chromatography open Pub Date : 2025-03-05 DOI: 10.1016/j.jcoa.2025.100211
Sunil Kumar , Kunal Krishna , Anurag S. Rathore
{"title":"Advanced two-dimensional liquid chromatography workflow for enhanced resolution of protein components in Indian Cobra (Naja naja) venom using hydrophobic interaction-reverse phase chromatography coupled with mass spectrometry","authors":"Sunil Kumar ,&nbsp;Kunal Krishna ,&nbsp;Anurag S. Rathore","doi":"10.1016/j.jcoa.2025.100211","DOIUrl":"10.1016/j.jcoa.2025.100211","url":null,"abstract":"<div><div>Snake venom exhibits complexity due to its composition of a diverse array of proteins and peptides, ranging in molecular masses from approximately 5 kDa to 200 kDa. A comprehensive understanding of the venom proteome is imperative for the design of effective therapeutic candidates. Conventional methodologies often fall short of achieving comprehensive separation of venom proteins. In the current study, we introduced a novel, online two-dimensional liquid chromatography coupled with mass spectrometry for the separation of proteins within the venom of the Indian cobra snake (<em>Naja naja</em>). The proposed methodology utilizes hydrophobic interaction chromatography as the first dimension and reversed-phase liquid chromatography coupled with mass spectrometry as the second dimension. Utilizing the proposed two-dimensional workflow, we successfully identified 116 proteins with the heart-cut method and 134 proteins with the comprehensive method from <em>Naja naja</em> venom. Notably, 18 proteins were exclusively identified with the heart-cut method, while 81 were unique to the comprehensive approach. In contrast, a standalone reverse-phase chromatography coupled with mass spectrometry method identified only 35 distinct proteins, whereas the stand-alone hydrophobic interaction chromatography method exhibited 30 distinct protein peaks. The proposed strategy offers advantages including speed (a sample run time of 45 min), detailed protein identification, and preservation of protein biological activity, particularly notable when assessing the interactions of anti-venom agents with venom components.</div></div>","PeriodicalId":93576,"journal":{"name":"Journal of chromatography open","volume":"7 ","pages":"Article 100211"},"PeriodicalIF":0.0,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143591748","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Characterization of hydrolysis products and determination of the rate of hydrolysis of Novichok A-234 in different decontaminants 诺维乔克A-234在不同去污剂中的水解产物表征及水解速率测定
Journal of chromatography open Pub Date : 2025-03-02 DOI: 10.1016/j.jcoa.2025.100210
Cristina Youngren , Harri Kiljunen , Harri A. Heikkinen , Rahim Ullah , Susanne K. Wiedmer , Paula Vanninen
{"title":"Characterization of hydrolysis products and determination of the rate of hydrolysis of Novichok A-234 in different decontaminants","authors":"Cristina Youngren ,&nbsp;Harri Kiljunen ,&nbsp;Harri A. Heikkinen ,&nbsp;Rahim Ullah ,&nbsp;Susanne K. Wiedmer ,&nbsp;Paula Vanninen","doi":"10.1016/j.jcoa.2025.100210","DOIUrl":"10.1016/j.jcoa.2025.100210","url":null,"abstract":"<div><div>In this work, studies on the neutralization of Novichok A-234, a member of a class of nerve agents known for their high toxicity, were carried out. Three decontaminants of different composition were used; these were alkaline potassium hydroxide in ethanol, GDS-2000, and Biodecon-83, a deep eutectic solvent. After 24 and 120 h of exposure to each decontaminant, the degradation products were characterized by ultra-high performance liquid chromatography-mass spectrometry (UPLC-MS) and UPLC-tandem MS. The rate of hydrolysis of Novichok A-234 in each decontaminant was measured using <sup>31</sup>P nuclear magnetic resonance (NMR) spectroscopy. The three decontaminants showed large variations in the hydrolysis rates of Novichok A-234. The total required decontamination time until Novichok A-234 was no longer observed by <sup>31</sup>P NMR, ranged from 5 to 44 h. <em>In silico</em> calculations were performed to predict the toxicity of the main decontamination products. All hydrolysis compounds were of lower toxicity than Novichok A-234.</div></div>","PeriodicalId":93576,"journal":{"name":"Journal of chromatography open","volume":"7 ","pages":"Article 100210"},"PeriodicalIF":0.0,"publicationDate":"2025-03-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143579506","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Comprehensive review on chromatographic analysis of flavonoids in fruits 水果中黄酮类化合物色谱分析综述
Journal of chromatography open Pub Date : 2025-02-19 DOI: 10.1016/j.jcoa.2025.100209
Ahmet Cetinkaya , Seyda Yayla , M. Mesud Hurkul , Sibel A. Ozkan
{"title":"Comprehensive review on chromatographic analysis of flavonoids in fruits","authors":"Ahmet Cetinkaya ,&nbsp;Seyda Yayla ,&nbsp;M. Mesud Hurkul ,&nbsp;Sibel A. Ozkan","doi":"10.1016/j.jcoa.2025.100209","DOIUrl":"10.1016/j.jcoa.2025.100209","url":null,"abstract":"<div><div>Flavonoids are natural compounds that are abundant in fruits and have many benefits for human health. Their antioxidant, anti-inflammatory, and anticancer effects make these compounds important for health. Chromatographic analytical methods are the most commonly used methods for detecting, separating, and quantifying flavonoids in fruit species. Methods such as high-performance liquid chromatography (HPLC), gas chromatography (GC), thin-layer chromatography (TLC), and liquid chromatography-tandem mass spectrometry (LC-MS) are crucial for the analysis of flavonoids. In recent years, hybrid systems combining MS and ultraviolet (UV) detectors have been developed to increase the sensitivity of these techniques. HPLC-MS techniques are one of the most preferred methods for determining flavonoids. Flavonoid profiles between different fruit species have been compared using this technique. Although the GC method is less widely used, it uses derivatization steps to analyze non-volatile flavonoids. The accuracy and sensitivity of GC may be limited compared to other methods. TLC, a simpler and more economical method, is still preferred for separating flavonoids. However, it is less widely used than HPLC due to its limited quantitative analysis capacity. Recently, there have been technological developments in chromatographic methods of analysis. Ultra-high-performance liquid chromatography (UHPLC) offers shorter analysis times and higher resolution, especially for separating complex flavonoid mixtures. In this review, the analysis of flavonoids using chromatographic methods and a detailed discussion of studies in the literature to determine flavonoids in fruits are discussed.</div></div>","PeriodicalId":93576,"journal":{"name":"Journal of chromatography open","volume":"7 ","pages":"Article 100209"},"PeriodicalIF":0.0,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471705","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Miniaturized analytical method to evaluate the profile of biogenic volatile organic compounds from Spanish tree species by gas chromatography coupled to mass spectrometry and chemometric tools 用气相色谱-质谱联用和化学计量工具评价西班牙树种生物源性挥发性有机物的小型化分析方法
Journal of chromatography open Pub Date : 2025-02-18 DOI: 10.1016/j.jcoa.2025.100208
Adrián Fuente-Ballesteros, Ana M. Ares, José Bernal, Silvia Valverde
{"title":"Miniaturized analytical method to evaluate the profile of biogenic volatile organic compounds from Spanish tree species by gas chromatography coupled to mass spectrometry and chemometric tools","authors":"Adrián Fuente-Ballesteros,&nbsp;Ana M. Ares,&nbsp;José Bernal,&nbsp;Silvia Valverde","doi":"10.1016/j.jcoa.2025.100208","DOIUrl":"10.1016/j.jcoa.2025.100208","url":null,"abstract":"<div><div>A novel miniaturized analytical method has been optimized to study the biogenic volatile organic compounds (BVOCs) profile from tree leaves using headspace solid-phase microextraction gas chromatography-quadrupole time-of-flight spectrometry (HS-SPME-GC-QTOF-MS). Several parameters were tested, and a 50/30 µm DVB/CAR/PDMS SPME fiber, 0.20 g of sample, extraction and desorption times of 45 and 3 mins, respectively, were selected as the optimal conditions. Subsequently, 42 samples from Ávila (Spain) were evaluated including conifers (<em>Pinus sylvestris</em> and <em>Juniperus oxycedrus</em>) and broadleaf species (<em>Quercus ilex</em> and <em>Quercus pyrenaica</em>). More than 100 different BVOCs were tentatively identified with a matching degree &gt;85 % in the NIST library. Total compounds were categorized into 12 main groups, where sesquiterpenoids, hydrocarbons, and alcohols were the dominant family groups. Moreover, a variety of chemometric tools were applied to enable data differentiation and potential classification of samples. Principal component analysis revealed that the BVOCs produced by different tree species exhibit distinct profiles, forming three well-defined clusters, while hierarchical cluster analysis indicated that the composition is influenced by the season, and sampling height. Finally, the method was classified as environmentally friendly according to the green analytical metrics and evaluated as practical by the blue applicability grade index.</div></div>","PeriodicalId":93576,"journal":{"name":"Journal of chromatography open","volume":"7 ","pages":"Article 100208"},"PeriodicalIF":0.0,"publicationDate":"2025-02-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143454696","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Tutorial on high-performance liquid chromatography of isotopologues of organic compounds 有机化合物中同位素物的高效液相色谱分析教程
Journal of chromatography open Pub Date : 2025-02-14 DOI: 10.1016/j.jcoa.2025.100207
P.N. Nesterenko, V.D. Kazakova
{"title":"Tutorial on high-performance liquid chromatography of isotopologues of organic compounds","authors":"P.N. Nesterenko,&nbsp;V.D. Kazakova","doi":"10.1016/j.jcoa.2025.100207","DOIUrl":"10.1016/j.jcoa.2025.100207","url":null,"abstract":"<div><div>Separation of isotopologues or chemical species having different number of neutrons in one or more atoms of specific compound represents an important but difficult task. Application of high-performance liquid chromatography (HPLC) provides some flexibility in various separation modes of isotopologues via different isotopic effects. This tutorial describes basic isotopic effects (hydrophobicity, polarizability, acid-base properties, size difference, etc.), which can influence HPLC performance in the separation of isotopologues. The article is focused on separation selectivity of deuterated organic compounds, for which different properties are considered. The use of advanced adsorption materials and techniques is discussed.</div></div>","PeriodicalId":93576,"journal":{"name":"Journal of chromatography open","volume":"7 ","pages":"Article 100207"},"PeriodicalIF":0.0,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143438116","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Semi-preparative on-line supercritical fluid extraction-supercritical fluid chromatography for solid-state injection and purification 半制备在线超临界流体萃取-超临界流体色谱法用于固体注射和纯化
Journal of chromatography open Pub Date : 2025-02-06 DOI: 10.1016/j.jcoa.2025.100206
Quentin Gros, Yusuke Masuda, Yoshiyuki Watabe, Hidetoshi Terada
{"title":"Semi-preparative on-line supercritical fluid extraction-supercritical fluid chromatography for solid-state injection and purification","authors":"Quentin Gros,&nbsp;Yusuke Masuda,&nbsp;Yoshiyuki Watabe,&nbsp;Hidetoshi Terada","doi":"10.1016/j.jcoa.2025.100206","DOIUrl":"10.1016/j.jcoa.2025.100206","url":null,"abstract":"<div><div>Thanks to the versatility and low viscosity of sub/supercritical fluids, supercritical fluid extraction (SFE) and supercritical fluid chromatography (SFC) are attractive to extract and separate molecules in a quick and efficient way. By coupling both techniques, on-line SFE-SFC becomes even more versatile and can extract, separate, and detect molecules in a single approach. When used at semi-preparative (semi-prep.) scale, on-line SFE-SFC can also be an interesting tool to perform solid-state injection and simplify sample pretreatment before purification. The aim of this publication is to examine the possibilities offered by semi-prep. on-line SFE-SFC for solid-state injection and determine the key parameters for method development, using ibuprofen as a case study. First, solubility changes of ibuprofen in a pressurized carbon dioxide (CO<sub>2</sub>)/methanol mixture were investigated, revealing a favorable solubility at 20 % of co-solvent. Then, an SFC method was developed at analytical scale and scaled up to semi-prep. SFC. This method allowed the separation of ibuprofen from structurally related compounds in less than 3 min, using a Shim-pack UC PolyVP column and 30 % of MeOH in pressurized CO<sub>2</sub>. After that, the effect of co-solvent ratio and extraction duration on semi-prep. on-line SFE-SFC solid-state injection was investigated. With an appropriate static extraction using 20 % of co-solvent for 1 min followed by a dynamic extraction with 5 % of co-solvent over 4 min, it was possible to inject and purify 500 mg of solid-state ibuprofen in 10 min. Finally, the methodology was applied to 2.5 g of sample, demonstrating its suitability for larger solid-state injection.</div></div>","PeriodicalId":93576,"journal":{"name":"Journal of chromatography open","volume":"7 ","pages":"Article 100206"},"PeriodicalIF":0.0,"publicationDate":"2025-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143386330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Evaluation of trap discs for root exudate eco-friendly sampling using rhizoboxes: Application to untargeted screening of organic compounds by gas chromatography hyphenated with high resolution mass spectrometry 利用根箱对根系分泌物进行生态友好取样的捕集盘评价:气相色谱联用高分辨率质谱法在有机化合物非靶向筛选中的应用
Journal of chromatography open Pub Date : 2025-02-05 DOI: 10.1016/j.jcoa.2025.100205
Victoria Bohm , Estelle Forey , Matthieu Chauvat , Pascal Cardinael , Valerie Peulon-Agasse
{"title":"Evaluation of trap discs for root exudate eco-friendly sampling using rhizoboxes: Application to untargeted screening of organic compounds by gas chromatography hyphenated with high resolution mass spectrometry","authors":"Victoria Bohm ,&nbsp;Estelle Forey ,&nbsp;Matthieu Chauvat ,&nbsp;Pascal Cardinael ,&nbsp;Valerie Peulon-Agasse","doi":"10.1016/j.jcoa.2025.100205","DOIUrl":"10.1016/j.jcoa.2025.100205","url":null,"abstract":"<div><div>In the present paper, an unusual sampling method, called EcoRoot, was investigated for sampling directly in soil, root exudates of <em>Poa annua L.,</em> belonging to the Poaceae family. Using a rhizobox, sorption filters were placed directly onto roots to serve as traps for root exudates. Various trap compositions, namely, cellulose nitrate, glass microfiber and nylon, were evaluated for their ability to adsorb/desorb a standard mixture of known exuded compounds and for recovery yield. Cellulose nitrate supports exhibited better yields for compounds known to be exudated by plants of the Poaceae family. Then, two crucial parameters were investigated: the contact and extraction times. The most suitable methodology for extracting the target compounds was a cellulose nitrate support with a contact time of 60 min and 30 min in an ultrasonic bath using a mixture H<sub>2</sub>O/MeOH. Soil and root sampling was carried out under the optimized conditions. Then, silylation of extracts was performed, and GC-HRMS was used to demonstrate that this sampling method could be used to efficiently trap compounds from soil and roots. Moreover, among the 6,136 compounds detected in extracts, 516 appeared to be specific to root exudates. This Ecoroot methodology allows root exudates to be collected in conditions as close as possible to natural growth environment, limiting the environmental impact with a 0.59 score (AGREEprep) compared to hydroponic methods. Ecoroot offers interesting perspectives for studying root exudate metabolome and their temporal and spatial dynamics in the rhizosphere, with important issues in both Ecology and Plant biology.</div></div>","PeriodicalId":93576,"journal":{"name":"Journal of chromatography open","volume":"7 ","pages":"Article 100205"},"PeriodicalIF":0.0,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143386385","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Identifying skin surface chemicals as potential tuberculosis diagnostic biomarkers using ultra performance liquid chromatography-high resolution mass spectrometry 使用超高效液相色谱-高分辨率质谱法鉴定皮肤表面化学物质作为潜在的结核病诊断生物标志物
Journal of chromatography open Pub Date : 2025-02-02 DOI: 10.1016/j.jcoa.2025.100204
Madelien Wooding, Kornelis van Pletzen, Yvette Naudé
{"title":"Identifying skin surface chemicals as potential tuberculosis diagnostic biomarkers using ultra performance liquid chromatography-high resolution mass spectrometry","authors":"Madelien Wooding,&nbsp;Kornelis van Pletzen,&nbsp;Yvette Naudé","doi":"10.1016/j.jcoa.2025.100204","DOIUrl":"10.1016/j.jcoa.2025.100204","url":null,"abstract":"<div><div>Tuberculosis (TB) remains a significant cause of morbidity and mortality globally, despite its preventability and curability. Early and accurate diagnosis of active TB is essential for enhancing patient care, improving outcomes, and interrupting the transmission cycles of <em>Mycobacterium tuberculosis</em> (<em>M.tb</em>). Metabolomics proves to be an emerging area of study for the development of a non-invasive approach to TB diagnostics.. High-resolution mass spectrometry combined with ion mobility spectrometry enhances the confidence in identifying and annotating biological markers during metabolomic research. This study outlines an analytical workflow encompassing sample preparation through to multivariate analyses for detecting potential TB diagnostic biomarkers. A custom-designed wearable polydimethylsiloxane (PDMS) sampler was employed as a passive sampling device, effectively concentrating chemical compounds from the skin surface. The sampler was directly desorbed into solvent within an LC vial, streamlining the extraction-to-analysis process. Utilising accurate mass and collision cross sections (CCS), fourteen biomarkers were tentatively identified, demonstrating the ability to differentiate TB patients from control groups. Receiver operating characteristic (ROC) analysis yielded an area under the curve (AUC) of 0.911. Among these, para-aminobenzoic acid (PABA) emerged as a promising biomarker for TB, achieving a specificity of 1, sensitivity of 0.9, and an AUC of 0.961. Method limits of detection for the 1-hour non-invasive skin sampling method ranged from 6 (PABA) to 172 ng (phenylalanine) for a calibration working range of 10 – 800 ng with a R<sup>2</sup> of ≥ 0.99. These first results demonstrate the potential of using skin surface compounds in TB diagnostics.</div></div>","PeriodicalId":93576,"journal":{"name":"Journal of chromatography open","volume":"7 ","pages":"Article 100204"},"PeriodicalIF":0.0,"publicationDate":"2025-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143168832","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Comprehensive characterization and identification of chemical constituents of Pingwei Powder by ultra high performance liquid chromatography tandem quadrupole-time-of-flight tandem mass spectrometry 超高效液相色谱-四极杆-飞行时间-质谱联用技术对平胃散的化学成分进行了综合表征和鉴定
Journal of chromatography open Pub Date : 2025-01-09 DOI: 10.1016/j.jcoa.2025.100203
Tongyan Zhu , Na Li , Chunying Zhao , Jianwei Liu , Yuling Liu , Jianhui Chen , Yuxin Dong , Yuxuan Tian , Xia Hong , Hui Xiong
{"title":"Comprehensive characterization and identification of chemical constituents of Pingwei Powder by ultra high performance liquid chromatography tandem quadrupole-time-of-flight tandem mass spectrometry","authors":"Tongyan Zhu ,&nbsp;Na Li ,&nbsp;Chunying Zhao ,&nbsp;Jianwei Liu ,&nbsp;Yuling Liu ,&nbsp;Jianhui Chen ,&nbsp;Yuxin Dong ,&nbsp;Yuxuan Tian ,&nbsp;Xia Hong ,&nbsp;Hui Xiong","doi":"10.1016/j.jcoa.2025.100203","DOIUrl":"10.1016/j.jcoa.2025.100203","url":null,"abstract":"<div><div>Pingwei Powder, a basic traditional Chinese medicine (TCM) prescription, was used for treating the chronic colitis, liver cirrhosis, and acute gastritis, etc. However, its systematic chemical characteristics has not been reported, which hinders the interpretation of its therapeutic mechanism, and quality control.</div><div>To develop a powerful ultra high performance liquid chromatography tandem quadrupole-time-of-flight tandem mass spectrometry (UHPLC-Q-TOF-MS)-based method for the systematic chemical characterisation of Pingwei Powder, providing a basis for further research on pharmacological substance basis, and quality control of Pingwei Powder. UHPLC-Q-TOF-MS was used to detect a wide range of chemical substances in Pingwei Powder, and the obtained spectral data were imported into PeakView 1.2 software for data processing. Subsequently, the chemical substances in Pingwei Powder were identified by comparison with reference standards, literatures, and the built-in database of SCIEX OS 2.2 software. Finally, the chemical profile of Pingwei Powder was acquired, and 329 chemical components in Pingwei Powder were identified for the first time, mainly including flavonoids, terpenoids, organic acids, alkaloids, phenylpropanoids. Of note, 48 were from Atractylodis Rhizoma, 37 were from Magnoliae Officinalis Cortex, 72 were from Citri Reticulatae Pericarpium, 80 were from Glycyrrhizae Radix et Rhizoma, 32 were from Ginger, 60 were from Ziziphus jujuba. A scientifically efficient and credible method for obtaining the comprehensive chemical profile of Pingwei Powder based on UHPLC-Q-TOF-MS was developed for the first time, providing a basis for further research on pharmacological substance basis, and quality control of Pingwei Powder.</div></div>","PeriodicalId":93576,"journal":{"name":"Journal of chromatography open","volume":"7 ","pages":"Article 100203"},"PeriodicalIF":0.0,"publicationDate":"2025-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143168831","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Development of miniaturized autonomous and versatile gas chromatograph for Volatile Organic Compounds monitoring using Nano-Gravimetric-Detector 应用纳米重量检测器监测挥发性有机化合物的小型化、自动化、多用途气相色谱仪的研制
Journal of chromatography open Pub Date : 2024-12-31 DOI: 10.1016/j.jcoa.2024.100202
Malak Rizk-Bigourd , Cécile Gaimoz , Eric Colinet , Jean-Pierre Pineau , Vincent Guerreni , Vivien Tranier , Fabrice Bertrand , David Coscia , Anaïs Feron , Michel Cabane , Cyril Szopa , Patrice Coll , Agnès Borbon , François Ravetta
{"title":"Development of miniaturized autonomous and versatile gas chromatograph for Volatile Organic Compounds monitoring using Nano-Gravimetric-Detector","authors":"Malak Rizk-Bigourd ,&nbsp;Cécile Gaimoz ,&nbsp;Eric Colinet ,&nbsp;Jean-Pierre Pineau ,&nbsp;Vincent Guerreni ,&nbsp;Vivien Tranier ,&nbsp;Fabrice Bertrand ,&nbsp;David Coscia ,&nbsp;Anaïs Feron ,&nbsp;Michel Cabane ,&nbsp;Cyril Szopa ,&nbsp;Patrice Coll ,&nbsp;Agnès Borbon ,&nbsp;François Ravetta","doi":"10.1016/j.jcoa.2024.100202","DOIUrl":"10.1016/j.jcoa.2024.100202","url":null,"abstract":"<div><div>Environmental monitoring and air quality survey during long-term field campaign tests, especially in low-accessibility or extreme environments, requires robust, standalone and autonomous analyzer with low gas consumption and minimal human intervention. The current states of art emphasize the need to develop miniaturized GC based on novel detectors that offers the best compromise between carrier gas consumption, detection limits and panel of measured VOCs. This work presents the development and optimization of MAVERIC, a miniaturized and autonomous Gas Chromatograph system coupled to an innovative <em>Nano Gravimetric Detector (</em>NGD) based on NEMS (nano-electromechanical-system) resonator. A homemade software is developed to control the instrument as well as the electronics modules. The system operates at low flow rate (2 mL.min<sup>−1</sup>) of helium used as carrier gas, and allows the measurements of VOCs from C<sub>6</sub> to C<sub>10</sub> in less than 30 min. A mixture of isoprene, benzene, toluene and α-pinene is used to optimize experimental conditions. Under optimal conditions, the detection limit, the stability, the repeatability and the linearity of the analytical system are assessed. A detection limit of sub-ppb to few ppt level was determined for C<sub>6</sub> and C<sub>9</sub> compounds, respectively. The lowest detection limit corresponds to the highest molecular weight compounds due to NGD sensitivity at ambient temperature. The system is standalone, portable, robust and equipped with 4G connection that allows remote control of the instrument and easy data export. It is very adapted for a long period field campaign test, environmental monitoring and air quality survey outdoors and in low-accessibility or extreme environments.</div></div>","PeriodicalId":93576,"journal":{"name":"Journal of chromatography open","volume":"7 ","pages":"Article 100202"},"PeriodicalIF":0.0,"publicationDate":"2024-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143168829","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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