Aromatherapy based on essential oil (EO) has been widely used for alleviating pain and intense where no compound EO reports its application on pharmacological effects. In order to explore the active pharmaceutical ingredients (API) and mechanism of a compound EO, a blend of Artemisia argyi, Boswellia carterii, Commiphora myrrha, Cinnamomum cassia, Zingiber oj-jicinale, and Ilex pubescens EO, in treating neck and shoulder pain (NSP). Network pharmacology hyphenated with mice model was employed to investigate. Gas chromatography-mass spectrometry (GC-MS) was applied for the identification of constituents in compound EO. Lastly, transdermal absorption of compound EO was studied before verifying analgesic and anti-inflammatory effects in mice. Totally, 75 compounds were tentatively identified through GC-MS, predicting 46 potential analgesic targets. Moreover, 11 core targets were obtained through network topology screening. Animal test resulted that the compound EO had significantly stronger anti-inflammatory and analgesic effects compared to single EO. Multiple API in compound EO affected on targets and exerted therapeutic effects on NSP through multiple pathways. Afterwards, eucalyptol, camphor, and borneol from compound EO exhibited a sustained-release effect, which provide scientific basis to illustrate the application of compound EO in clinical.
{"title":"Analysis of pharmacological effects and mechanisms of compound essential oils via GC-MS and network pharmacology.","authors":"Dong Wu, Mengchu Li, Jianping Gong, Wenping Huang, Wenhui Zeng, Ying Jiang","doi":"10.1002/bmc.6033","DOIUrl":"10.1002/bmc.6033","url":null,"abstract":"<p><p>Aromatherapy based on essential oil (EO) has been widely used for alleviating pain and intense where no compound EO reports its application on pharmacological effects. In order to explore the active pharmaceutical ingredients (API) and mechanism of a compound EO, a blend of Artemisia argyi, Boswellia carterii, Commiphora myrrha, Cinnamomum cassia, Zingiber oj-jicinale, and Ilex pubescens EO, in treating neck and shoulder pain (NSP). Network pharmacology hyphenated with mice model was employed to investigate. Gas chromatography-mass spectrometry (GC-MS) was applied for the identification of constituents in compound EO. Lastly, transdermal absorption of compound EO was studied before verifying analgesic and anti-inflammatory effects in mice. Totally, 75 compounds were tentatively identified through GC-MS, predicting 46 potential analgesic targets. Moreover, 11 core targets were obtained through network topology screening. Animal test resulted that the compound EO had significantly stronger anti-inflammatory and analgesic effects compared to single EO. Multiple API in compound EO affected on targets and exerted therapeutic effects on NSP through multiple pathways. Afterwards, eucalyptol, camphor, and borneol from compound EO exhibited a sustained-release effect, which provide scientific basis to illustrate the application of compound EO in clinical.</p>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":" ","pages":"e6033"},"PeriodicalIF":1.8,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142493974","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-12-01Epub Date: 2024-10-28DOI: 10.1002/bmc.6031
Raha Kaviani, Abolghasem Jouyban, Mahsa Javan, Behrouz Seyfinejad, Ali Shayanfar
Enantiomers of a chiral active pharmaceutical ingredient (API) often exhibit different physicochemical, pharmacokinetic, and biological properties. Therefore, enantioseparation becomes a critical aspect of pharmaceutical development. Sertraline, one of the most widely prescribed antidepressant medications, requires purification from its chiral impurities, and this is recommended and essential for its quality control. This perspective highlights the current established research on the separation and quantification of sertraline's chiral impurities, with a focus on instrumental and crystallization-based techniques.
{"title":"Enantioseparation strategies for sertraline by instrumental and crystallization-based techniques: An important issue in quality control.","authors":"Raha Kaviani, Abolghasem Jouyban, Mahsa Javan, Behrouz Seyfinejad, Ali Shayanfar","doi":"10.1002/bmc.6031","DOIUrl":"10.1002/bmc.6031","url":null,"abstract":"<p><p>Enantiomers of a chiral active pharmaceutical ingredient (API) often exhibit different physicochemical, pharmacokinetic, and biological properties. Therefore, enantioseparation becomes a critical aspect of pharmaceutical development. Sertraline, one of the most widely prescribed antidepressant medications, requires purification from its chiral impurities, and this is recommended and essential for its quality control. This perspective highlights the current established research on the separation and quantification of sertraline's chiral impurities, with a focus on instrumental and crystallization-based techniques.</p>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":" ","pages":"e6031"},"PeriodicalIF":1.8,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142520898","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-12-01Epub Date: 2024-11-06DOI: 10.1002/bmc.6037
Taiwo Oreoluwa Ajayi, Madan Sai Poka, Bwalya Angel Witika
Bedaquiline (BDQ) is a drug used to treat multidrug-resistant tuberculosis (MDR-TB). It exhibits exposure-dependent efficacy in eliminating Mycobacterium tuberculosis (Mtb). An easy, efficient and precise reverse-phase ultrafast liquid chromatography (RP-UFLC) method was developed to validate the free base of the antitubercular medication BDQ. BDQ was separated using a 10:90 v/v mobile phase of ammonium acetate buffer solution (pH = 5.4) and high-performance liquid chromatography-grade methanol, with a flow rate of 1.5 mL/min and a UV detection wavelength of 226 nm. By using the Box-Behnken design (BBD) and response surface methodology (RSM), the method was optimised by varying critical analytical attributes (CAA) and critical performance attributes (CPAs) namely ammonium acetate fraction (%), flow rate (ml/min), buffer system molarity (M) and pH. BDQ was eluted at 7.5 min utilising isocratic elution. The method was linear in the concentration range of 0.5-300 μg/mL with limit of detection values of 0.039 μg/mL and limit of quantification of 0.12 μg/mL. The results indicate that this validated method can be used as an alternative method for assay of BDQ.
{"title":"Method development and validation of an analytical quality by design ultrafast liquid chromatographic method for the determination of bedaquiline from pharmaceutical bulk and nanoemulsions.","authors":"Taiwo Oreoluwa Ajayi, Madan Sai Poka, Bwalya Angel Witika","doi":"10.1002/bmc.6037","DOIUrl":"10.1002/bmc.6037","url":null,"abstract":"<p><p>Bedaquiline (BDQ) is a drug used to treat multidrug-resistant tuberculosis (MDR-TB). It exhibits exposure-dependent efficacy in eliminating Mycobacterium tuberculosis (Mtb). An easy, efficient and precise reverse-phase ultrafast liquid chromatography (RP-UFLC) method was developed to validate the free base of the antitubercular medication BDQ. BDQ was separated using a 10:90 v/v mobile phase of ammonium acetate buffer solution (pH = 5.4) and high-performance liquid chromatography-grade methanol, with a flow rate of 1.5 mL/min and a UV detection wavelength of 226 nm. By using the Box-Behnken design (BBD) and response surface methodology (RSM), the method was optimised by varying critical analytical attributes (CAA) and critical performance attributes (CPAs) namely ammonium acetate fraction (%), flow rate (ml/min), buffer system molarity (M) and pH. BDQ was eluted at 7.5 min utilising isocratic elution. The method was linear in the concentration range of 0.5-300 μg/mL with limit of detection values of 0.039 μg/mL and limit of quantification of 0.12 μg/mL. The results indicate that this validated method can be used as an alternative method for assay of BDQ.</p>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":" ","pages":"e6037"},"PeriodicalIF":1.8,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142582051","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The classical traditional Chinese medicine formula Huangqi-Guizhi-Wuwutang (HGW) has been shown to enhance sperm production. However, the bioactive components and comprehensive mechanisms underlying the therapeutic effects remain unclear. The present study investigates the potential active ingredients and underlying mechanisms of HGW against spermatogenesis dysfunction. The chemical components of HGW were analyzed by mass spectrometry. And then the "components-targets-pathway-disease" network was constructed using network pharmacology research methods, which aimed to identify the key active components and potential targets of HGW in treating oligospermia. Experimental validation was finally conducted in animal model. The male-specific pathogen-free Kunming mice were divided into five groups: Sham group, Model group, and HGW groups (8, 16, and 32 g/kg of HGW by gavage for 35 days). Chemical profile and network pharmacology results revealed that potential bioactive compounds were dihydrocinnacasside, isomucronulatol, and 6-gingerol, and the mechanism of which was enriched in regulating spermatogenic stem cells (SSCs), endocrine function, and apoptosis. The administration of HGW significantly improved oligospermia in mice. HGW significantly upregulated the expression of marker proteins in SSCs and the potential targets within the testis simultaneously. Our data indicates that HGW enhances the proliferation of SSCs, and HGW can be a promising therapeutic candidate for oligospermia.
{"title":"Huangqi-Guizhi-Wuwutang protects against oligospermia in mice by promoting the proliferation of spermatogenic stem cells: A comprehensive study using HPLC-Q-TOF/MS and experimental pharmacology.","authors":"Yuan Zhao, Jinru Wu, Xiangbin Li, Lin Zheng, Qiugu Chen, Shangbin Zhang, Jianping Chen","doi":"10.1002/bmc.6023","DOIUrl":"10.1002/bmc.6023","url":null,"abstract":"<p><p>The classical traditional Chinese medicine formula Huangqi-Guizhi-Wuwutang (HGW) has been shown to enhance sperm production. However, the bioactive components and comprehensive mechanisms underlying the therapeutic effects remain unclear. The present study investigates the potential active ingredients and underlying mechanisms of HGW against spermatogenesis dysfunction. The chemical components of HGW were analyzed by mass spectrometry. And then the \"components-targets-pathway-disease\" network was constructed using network pharmacology research methods, which aimed to identify the key active components and potential targets of HGW in treating oligospermia. Experimental validation was finally conducted in animal model. The male-specific pathogen-free Kunming mice were divided into five groups: Sham group, Model group, and HGW groups (8, 16, and 32 g/kg of HGW by gavage for 35 days). Chemical profile and network pharmacology results revealed that potential bioactive compounds were dihydrocinnacasside, isomucronulatol, and 6-gingerol, and the mechanism of which was enriched in regulating spermatogenic stem cells (SSCs), endocrine function, and apoptosis. The administration of HGW significantly improved oligospermia in mice. HGW significantly upregulated the expression of marker proteins in SSCs and the potential targets within the testis simultaneously. Our data indicates that HGW enhances the proliferation of SSCs, and HGW can be a promising therapeutic candidate for oligospermia.</p>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":" ","pages":"e6023"},"PeriodicalIF":1.8,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142399190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This groundbreaking study introduces a pioneering development of multi-method approach for the first-ever detection and quantification of 13 genotoxic impurities (GTIs) in Apixaban (Apx) drug substance using ultra-performance liquid chromatography (UPLC) with ultraviolet (UV) detector. In this novel endeavor, two distinct UPLC-UV methods, Method A (for impurities A to G) and Method B (for impurities H to M), were meticulously developed and validated as per International Council for Harmonization (ICH) guidelines to address the challenge of identification and control of 13 GTIs in Apx drug substance. The validation process included rigorous assessment of linearity, accuracy, specificity, precision, limit of quantification (LOQ), and limit of detection (LOD) for each impurity in each method which marks a significant advancement in pharmaceutical analysis. The developed methods address the regulatory requirements set forth by ICH M7(R2) guidelines by providing a reliable approach for quantifying GTIs in Apx drug substance at trace levels to minimize the potential carcinogenic risk to the patients.
这项开创性的研究首次采用超高效液相色谱法(UPLC)和紫外检测器,对阿哌沙班(Apx)药物中的 13 种基因毒性杂质(GTIs)进行多方法检测和定量。在这一新颖的尝试中,根据国际协调理事会(ICH)的指导方针,精心开发并验证了两种不同的超高效液相色谱-紫外检测方法,即方法 A(检测杂质 A 至 G)和方法 B(检测杂质 H 至 M),以应对阿哌沙班药物中 13 种 GTI 的鉴定和控制挑战。验证过程包括严格评估每种方法中每种杂质的线性度、准确度、特异性、精确度、定量限 (LOQ) 和检测限 (LOD),这标志着药物分析领域的一大进步。所开发的方法满足了 ICH M7(R2) 指南提出的监管要求,提供了一种可靠的方法,可对 Apx 药物中的 GTIs 进行痕量定量,从而最大限度地降低对患者的潜在致癌风险。
{"title":"Establishing a multi-method approach for unprecedented detection and quantification of 13 genotoxic impurities (GTIs) in Apixaban drug substance through ultra-performance liquid chromatography (UPLC).","authors":"Sivaprasadu Ganta, Muralidhar Pamerla, Suresh Kumar Gunupuru, Suresh Salakolusu, Samatha Bevara, Harihara Padhy, Ravi Kumar Ganta","doi":"10.1002/bmc.6027","DOIUrl":"10.1002/bmc.6027","url":null,"abstract":"<p><p>This groundbreaking study introduces a pioneering development of multi-method approach for the first-ever detection and quantification of 13 genotoxic impurities (GTIs) in Apixaban (Apx) drug substance using ultra-performance liquid chromatography (UPLC) with ultraviolet (UV) detector. In this novel endeavor, two distinct UPLC-UV methods, Method A (for impurities A to G) and Method B (for impurities H to M), were meticulously developed and validated as per International Council for Harmonization (ICH) guidelines to address the challenge of identification and control of 13 GTIs in Apx drug substance. The validation process included rigorous assessment of linearity, accuracy, specificity, precision, limit of quantification (LOQ), and limit of detection (LOD) for each impurity in each method which marks a significant advancement in pharmaceutical analysis. The developed methods address the regulatory requirements set forth by ICH M7(R2) guidelines by providing a reliable approach for quantifying GTIs in Apx drug substance at trace levels to minimize the potential carcinogenic risk to the patients.</p>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":" ","pages":"e6027"},"PeriodicalIF":1.8,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142457096","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-12-01Epub Date: 2024-09-26DOI: 10.1002/bmc.6018
Dayong Zheng, Jiaxuan Bai, Yiran Wang, Xiaoyang Li, Yang Chu, Dekun Li, Aichun Ju, Yuesheng Xie, Wei Li
Yiqi Fumai lyophilized injection (YQFM), a compound traditional Chinese medicine prescription derived from "Sheng Mai Powder," is approved for the treatment of cardiovascular diseases. YQFM is usually prescribed in combination with some Western medicines to treat patients, such as aspirin, nifedipine, and clopidogrel. However, the herb-drug interactions (HDIs) of YQFM are still unclear. We determined the effect of YQFM on drug metabolism-related CYP450 enzymes by in vitro assays. And the effects of YQFM on the pharmacokinetics of aspirin, nifedipine, or clopidogrel were analyzed in rats, as well as the effect of YQFM on the prothrombin time of aspirin or clopidogrel, to evaluate the safety and efficacy of co-administration. Our study indicated that the clinical dose of YQFM did not significantly influence the relevant CYP450 isoenzymes. Besides, YQFM had no effect on the pharmacokinetics of aspirin, nifedipine, or clopidogrel single and multiple administrations in rats. In pharmacodynamics study, YQFM also had no impact on prothrombin time of aspirin or clopidogrel. Based on the results of pharmacogenomics, pharmacokinetics, and pharmacodynamics, the HDIs of YQFM have a good safety profile, and the combination with the above three drugs might have synergistic effects due to the different efficacy of YQFM-quality markers.
{"title":"Herb-drug interaction study of Yiqi Fumai lyophilized injection (YQFM) on pharmacokinetics of aspirin, nifedipine, and clopidogrel in rats.","authors":"Dayong Zheng, Jiaxuan Bai, Yiran Wang, Xiaoyang Li, Yang Chu, Dekun Li, Aichun Ju, Yuesheng Xie, Wei Li","doi":"10.1002/bmc.6018","DOIUrl":"10.1002/bmc.6018","url":null,"abstract":"<p><p>Yiqi Fumai lyophilized injection (YQFM), a compound traditional Chinese medicine prescription derived from \"Sheng Mai Powder,\" is approved for the treatment of cardiovascular diseases. YQFM is usually prescribed in combination with some Western medicines to treat patients, such as aspirin, nifedipine, and clopidogrel. However, the herb-drug interactions (HDIs) of YQFM are still unclear. We determined the effect of YQFM on drug metabolism-related CYP450 enzymes by in vitro assays. And the effects of YQFM on the pharmacokinetics of aspirin, nifedipine, or clopidogrel were analyzed in rats, as well as the effect of YQFM on the prothrombin time of aspirin or clopidogrel, to evaluate the safety and efficacy of co-administration. Our study indicated that the clinical dose of YQFM did not significantly influence the relevant CYP450 isoenzymes. Besides, YQFM had no effect on the pharmacokinetics of aspirin, nifedipine, or clopidogrel single and multiple administrations in rats. In pharmacodynamics study, YQFM also had no impact on prothrombin time of aspirin or clopidogrel. Based on the results of pharmacogenomics, pharmacokinetics, and pharmacodynamics, the HDIs of YQFM have a good safety profile, and the combination with the above three drugs might have synergistic effects due to the different efficacy of YQFM-quality markers.</p>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":" ","pages":"e6018"},"PeriodicalIF":1.8,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142340457","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-12-01Epub Date: 2024-09-30DOI: 10.1002/bmc.6016
Huan Zhang, Lihua Ma, Sisi Li, Qiaoyan Ding, Yu Zhang, Ming Zhou
Tuberculosis (TB) is a persistent global health issue, evidenced by an increasing number of cases. Although anti-TB drugs have proven efficacy, they are often associated with severe liver injury (ATB-DILI). The objective of this research was to uncover the mechanisms through which Shaoyao Gancao Decoction (SGD) mitigates ATB-DILI, emphasizing the role of the Nrf-2/HO-1/NF-κB signaling pathway. We prepared SGD granules and subjected them to HPLC-MS/MS for analysis. An ATB-DILI rat model was then developed and administered SGD. We evaluated liver injury markers, the extent of oxidative stress, inflammation, and the principal proteins involved in the Nrf-2/HO-1/NF-κB pathway. Additionally, network pharmacology techniques were utilized to discern potential SGD targets and their associated pathways. Administering SGD had a notable effect in counteracting the elevation of liver injury markers and pathological alterations induced by ATB-DILI. Moreover, there was a marked reduction in oxidative stress and inflammation in the treated rats. We identified 12 active compounds in SGD, with 88 shared targets between SGD and ATB-DILI. Subsequent KEGG analysis brought attention to pathways like MAPK, NF-κB, and IL-17 signaling. Our findings pave the way for more in-depth studies into the application of SGD in treating drug-induced liver injuries.
{"title":"Therapeutic potential of Shaoyao Gancao Decoction in mitigating anti-tuberculosis drug-induced liver injury through Nrf-2/HO-1/NF-κB signaling.","authors":"Huan Zhang, Lihua Ma, Sisi Li, Qiaoyan Ding, Yu Zhang, Ming Zhou","doi":"10.1002/bmc.6016","DOIUrl":"10.1002/bmc.6016","url":null,"abstract":"<p><p>Tuberculosis (TB) is a persistent global health issue, evidenced by an increasing number of cases. Although anti-TB drugs have proven efficacy, they are often associated with severe liver injury (ATB-DILI). The objective of this research was to uncover the mechanisms through which Shaoyao Gancao Decoction (SGD) mitigates ATB-DILI, emphasizing the role of the Nrf-2/HO-1/NF-κB signaling pathway. We prepared SGD granules and subjected them to HPLC-MS/MS for analysis. An ATB-DILI rat model was then developed and administered SGD. We evaluated liver injury markers, the extent of oxidative stress, inflammation, and the principal proteins involved in the Nrf-2/HO-1/NF-κB pathway. Additionally, network pharmacology techniques were utilized to discern potential SGD targets and their associated pathways. Administering SGD had a notable effect in counteracting the elevation of liver injury markers and pathological alterations induced by ATB-DILI. Moreover, there was a marked reduction in oxidative stress and inflammation in the treated rats. We identified 12 active compounds in SGD, with 88 shared targets between SGD and ATB-DILI. Subsequent KEGG analysis brought attention to pathways like MAPK, NF-κB, and IL-17 signaling. Our findings pave the way for more in-depth studies into the application of SGD in treating drug-induced liver injuries.</p>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":" ","pages":"e6016"},"PeriodicalIF":1.8,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142340462","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Mass spectrometry (MS) plays a crucial role in metabolomics, especially in the discovery of disease biomarkers. This review outlines strategies for identifying metabolites, emphasizing precise and detailed use of MS techniques. It explores various methods for quantification, discusses challenges encountered, and examines recent breakthroughs in biomarker discovery. In the field of diagnostics, MS has revolutionized approaches by enabling a deeper understanding of tissue-specific metabolic changes associated with disease. The reliability of results is ensured through robust experimental design and stringent system suitability criteria. In the past, data quality, standardization, and reproducibility were often overlooked despite their significant impact on MS-based metabolomics. Progress in this field heavily depends on continuous training and education. The review also highlights the emergence of innovative MS technologies and methodologies. MS has the potential to transform our understanding of metabolic landscapes, which is crucial for disease biomarker discovery. This article serves as an invaluable resource for researchers in metabolomics, presenting fresh perspectives and advancements that propels the field forward.
质谱(MS)在代谢组学,尤其是疾病生物标志物的发现中发挥着至关重要的作用。这篇综述概述了鉴定代谢物的策略,强调了质谱技术的精确和详细使用。它探讨了各种量化方法,讨论了遇到的挑战,并研究了生物标记物发现方面的最新突破。在诊断领域,质谱技术使人们能够更深入地了解与疾病相关的组织特异性代谢变化,从而彻底改变了诊断方法。稳健的实验设计和严格的系统适用性标准确保了实验结果的可靠性。过去,数据质量、标准化和可重复性往往被忽视,尽管它们对基于 MS 的代谢组学有重大影响。这一领域的进步在很大程度上取决于持续的培训和教育。综述还强调了创新性 MS 技术和方法的出现。MS 有可能改变我们对代谢景观的理解,这对疾病生物标记物的发现至关重要。这篇文章是代谢组学研究人员的宝贵资源,提出了推动该领域发展的新观点和新进展。
{"title":"Advances in mass spectrometry for metabolomics: Strategies, challenges, and innovations in disease biomarker discovery.","authors":"Nikhil Titkare, Sachin Chaturvedi, Sapan Borah, Nitish Sharma","doi":"10.1002/bmc.6019","DOIUrl":"10.1002/bmc.6019","url":null,"abstract":"<p><p>Mass spectrometry (MS) plays a crucial role in metabolomics, especially in the discovery of disease biomarkers. This review outlines strategies for identifying metabolites, emphasizing precise and detailed use of MS techniques. It explores various methods for quantification, discusses challenges encountered, and examines recent breakthroughs in biomarker discovery. In the field of diagnostics, MS has revolutionized approaches by enabling a deeper understanding of tissue-specific metabolic changes associated with disease. The reliability of results is ensured through robust experimental design and stringent system suitability criteria. In the past, data quality, standardization, and reproducibility were often overlooked despite their significant impact on MS-based metabolomics. Progress in this field heavily depends on continuous training and education. The review also highlights the emergence of innovative MS technologies and methodologies. MS has the potential to transform our understanding of metabolic landscapes, which is crucial for disease biomarker discovery. This article serves as an invaluable resource for researchers in metabolomics, presenting fresh perspectives and advancements that propels the field forward.</p>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":" ","pages":"e6019"},"PeriodicalIF":1.8,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142380035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-12-01Epub Date: 2024-10-21DOI: 10.1002/bmc.6029
Jing Zhang, Ruru Ren, Shuqin Ding, Yuping Sa, Weiman Zhang, Weibiao Wang, Gidion Wilson, Xueqin Ma, Kaimin Gong
Given the genetic and clinical overlap observed between schizophrenia and depression, the present study was to identify the similarities and differences in serum metabolic profiles between patients with schizophrenia and depression. Global metabolomics research methods based on UHPLC-QTOF-MS/MS were performed. A total of 113 and 118 differential metabolites were screened and identified in depression and schizophrenia groups, respectively, as compared to health control; among those, 94 differential metabolites were shared by both. Pathway analysis indicated arginine and proline metabolism, alanine, aspartate, and glutamate metabolism were two significant metabolic pathways both in depression and schizophrenia groups as compared with health control groups, respectively. Similarly, 77 differential metabolites were identified between depression and schizophrenia groups, in which, serum N-acetylglutamine and isovalerylglycine levels showed significant differences between patients with depression and schizophrenia with p values less than 0.001 and without significant outliers. Sphingolipid metabolism was identified as a significant metabolic pathway distinguishing between depression and schizophrenia groups based on pathway analysis. Conclusively, common alterations in arginine and proline metabolism, alanine, aspartate, and glutamate metabolism were observed in patients with schizophrenia and depression; whereas differences in serum N-acetylglutamine and isovalerylglycine levels as well as sphingolipid metabolism were discovered between the two categories of patients.
{"title":"Serum metabolic profile evidence for relationship between schizophrenia and depression: An untargeted metabolomics.","authors":"Jing Zhang, Ruru Ren, Shuqin Ding, Yuping Sa, Weiman Zhang, Weibiao Wang, Gidion Wilson, Xueqin Ma, Kaimin Gong","doi":"10.1002/bmc.6029","DOIUrl":"10.1002/bmc.6029","url":null,"abstract":"<p><p>Given the genetic and clinical overlap observed between schizophrenia and depression, the present study was to identify the similarities and differences in serum metabolic profiles between patients with schizophrenia and depression. Global metabolomics research methods based on UHPLC-QTOF-MS/MS were performed. A total of 113 and 118 differential metabolites were screened and identified in depression and schizophrenia groups, respectively, as compared to health control; among those, 94 differential metabolites were shared by both. Pathway analysis indicated arginine and proline metabolism, alanine, aspartate, and glutamate metabolism were two significant metabolic pathways both in depression and schizophrenia groups as compared with health control groups, respectively. Similarly, 77 differential metabolites were identified between depression and schizophrenia groups, in which, serum N-acetylglutamine and isovalerylglycine levels showed significant differences between patients with depression and schizophrenia with p values less than 0.001 and without significant outliers. Sphingolipid metabolism was identified as a significant metabolic pathway distinguishing between depression and schizophrenia groups based on pathway analysis. Conclusively, common alterations in arginine and proline metabolism, alanine, aspartate, and glutamate metabolism were observed in patients with schizophrenia and depression; whereas differences in serum N-acetylglutamine and isovalerylglycine levels as well as sphingolipid metabolism were discovered between the two categories of patients.</p>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":" ","pages":"e6029"},"PeriodicalIF":1.8,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142457097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-12-01Epub Date: 2024-09-24DOI: 10.1002/bmc.6008
Yuxin Qin, Dan Li, Tian Yao, Ahmad Ali, Jieyu Wu, Shun Yao
Chiral recognition and enantioseparation are of paramount importance in various fields, including pharmaceuticals, agrochemicals, and material science. Covalent organic frameworks (COFs) have emerged as promising materials for chiral separation due to their unique structural features and tunable properties. This review provided a comprehensive overview of recent progress in the application of COFs and related innovative materials for chiral separation and recognition. Various strategies were analyzed for the design and synthesis of chiral COFs, including the incorporation of chiral building blocks, post-synthetic modification, and the integration of chiral selectors. The applications of chiral COFs in chromatographic techniques, membrane separations, and other emerging methods were critically evaluated with the emphasis on their advantages and limitations. Additionally, the review summarized the potential of combining COFs with other nanomaterials, such as metal-organic frameworks (MOFs) and nanoparticles, to enhance chiral recognition and separation performance. The fundamental principles and mechanisms of chiral recognition were discussed, highlighting the role of chiral selectors and their interactions with enantiomers. Finally, current challenges and future perspectives in this field were discussed, providing insights into the development of more efficient and versatile chiral separation systems based on COFs and related materials.
{"title":"Covalent organic frameworks and related innovative materials in chiral separation and recognition.","authors":"Yuxin Qin, Dan Li, Tian Yao, Ahmad Ali, Jieyu Wu, Shun Yao","doi":"10.1002/bmc.6008","DOIUrl":"10.1002/bmc.6008","url":null,"abstract":"<p><p>Chiral recognition and enantioseparation are of paramount importance in various fields, including pharmaceuticals, agrochemicals, and material science. Covalent organic frameworks (COFs) have emerged as promising materials for chiral separation due to their unique structural features and tunable properties. This review provided a comprehensive overview of recent progress in the application of COFs and related innovative materials for chiral separation and recognition. Various strategies were analyzed for the design and synthesis of chiral COFs, including the incorporation of chiral building blocks, post-synthetic modification, and the integration of chiral selectors. The applications of chiral COFs in chromatographic techniques, membrane separations, and other emerging methods were critically evaluated with the emphasis on their advantages and limitations. Additionally, the review summarized the potential of combining COFs with other nanomaterials, such as metal-organic frameworks (MOFs) and nanoparticles, to enhance chiral recognition and separation performance. The fundamental principles and mechanisms of chiral recognition were discussed, highlighting the role of chiral selectors and their interactions with enantiomers. Finally, current challenges and future perspectives in this field were discussed, providing insights into the development of more efficient and versatile chiral separation systems based on COFs and related materials.</p>","PeriodicalId":8861,"journal":{"name":"Biomedical Chromatography","volume":" ","pages":"e6008"},"PeriodicalIF":1.8,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142340455","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}