{"title":"Quadrupole versus linear ion trap for determination of tracers with LC/MS","authors":"J. Oosterink, H. Schierbeek","doi":"10.17145/JAB.15.017","DOIUrl":"https://doi.org/10.17145/JAB.15.017","url":null,"abstract":"","PeriodicalId":15014,"journal":{"name":"Journal of Applied Bioanalysis","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91387862","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
R. Koster, Rixt Botma, B. Greijdanus, D. Uges, J. Kosterink, J. Alffenaar, D. Touw
One of the main advantages of DBS sampling is that it allows the patient to sample at home and send the DBS sample to the laboratory by mail [1-4]. This sampling is considered to be patient friendly because it is less invasive and saves patients transportation costs and time. DBS sampling also has a lower biohazard risk and requires a smaller amount of blood than venous sampling [2,4]. Solid organ transplant recipients are required to use a lifetime of immunosuppressant medications like tacrolimus (TaC), sirolimus (SiR), everolimus (EvE) and cyclosporin A (CyA) to prevent allograft rejection. Bioanalysis and Therapeutic Drug Monitoring of these drugs are necessary because efficacy and toxicity is associated with blood concentrations and/or pharmacokinetic parameters. Therefore, these patients could greatly benefit from immunosuppressant DBS analysis. Since the use of dried blood spot (DBS) analysis for therapeutic drug monitoring (TDM), more extensive validation procedures have been proposed in order to improve the quality of the analysis results. Variations of the hematocrit value, spot volume and DBS stability are among the parameters that should be investigated during method validation [1,5]. A perhaps unappreciated source of variability may be the drying time of a dried blood spot sample. After collection of the blood on the DBS card it should be dried dried at ambient temperature. It is already suggested by the European Bioanalysis Forum (EBF) that the required drying time may be influenced by the hematocrit (HT) and that this may affect the robustness and reproducibility of the assay [5]. Consequently it is recommended to investigate these parameters as part of the validation [5]. Although the DBS may appear dry after 3 hours, the extraction recoveries of the substances within the DBS JOURNAL OF APPLIED BIOANALYSIS, October 2015, p. 116-122. http://dx.doi.org/10.17145/jab.15.019 (ISSN 2405-710X) Vol. 1, No. 4
{"title":"The influence of the dried blood spot drying time on the recoveries of six immunosuppressants","authors":"R. Koster, Rixt Botma, B. Greijdanus, D. Uges, J. Kosterink, J. Alffenaar, D. Touw","doi":"10.17145/JAB.15.019","DOIUrl":"https://doi.org/10.17145/JAB.15.019","url":null,"abstract":"One of the main advantages of DBS sampling is that it allows the patient to sample at home and send the DBS sample to the laboratory by mail [1-4]. This sampling is considered to be patient friendly because it is less invasive and saves patients transportation costs and time. DBS sampling also has a lower biohazard risk and requires a smaller amount of blood than venous sampling [2,4]. Solid organ transplant recipients are required to use a lifetime of immunosuppressant medications like tacrolimus (TaC), sirolimus (SiR), everolimus (EvE) and cyclosporin A (CyA) to prevent allograft rejection. Bioanalysis and Therapeutic Drug Monitoring of these drugs are necessary because efficacy and toxicity is associated with blood concentrations and/or pharmacokinetic parameters. Therefore, these patients could greatly benefit from immunosuppressant DBS analysis. Since the use of dried blood spot (DBS) analysis for therapeutic drug monitoring (TDM), more extensive validation procedures have been proposed in order to improve the quality of the analysis results. Variations of the hematocrit value, spot volume and DBS stability are among the parameters that should be investigated during method validation [1,5]. A perhaps unappreciated source of variability may be the drying time of a dried blood spot sample. After collection of the blood on the DBS card it should be dried dried at ambient temperature. It is already suggested by the European Bioanalysis Forum (EBF) that the required drying time may be influenced by the hematocrit (HT) and that this may affect the robustness and reproducibility of the assay [5]. Consequently it is recommended to investigate these parameters as part of the validation [5]. Although the DBS may appear dry after 3 hours, the extraction recoveries of the substances within the DBS JOURNAL OF APPLIED BIOANALYSIS, October 2015, p. 116-122. http://dx.doi.org/10.17145/jab.15.019 (ISSN 2405-710X) Vol. 1, No. 4","PeriodicalId":15014,"journal":{"name":"Journal of Applied Bioanalysis","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75494648","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
It was Robinson who elucidated the active structure of morphine in 1925. Buprenorphine (2S)-2-[(5R,6R,7R,14S)-9αCyclopropylmethyl-4,5-epoxy-6,14-ethano-3-hydroxy-6methoxymorphinan-7-yl]-3,3-dimethylbutan-2-ol) which is a semi-synthetic opioid. It possesses partial agonist properties acting at μ-opioid receptor site, it also possesses antagonist characteristics acting mainly on the κ-opioid receptor site [1]. Its structure is derived from thebaine, and it has a structural similarity with morphine ((5α,6α)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol), but has been reported to be up to 50 times more potent, with a higher affinity for μ-opioid receptors compared with other opioids, including heroin (diacetyl morphine)[2]. Historically, buprenorphine was first synthesized 1966 by John Lewis working at Reckitt and Colman (later Reckitts). Lewis had previously been a doctoral student of Sir Robert Robinson, who had elucidated the active structure of morphine in 1925 [3]. Buprenorphine (BUP) is metabolized in human beings through to the active metabolite norbuprenorphine (NBUP) via the process of N-dealkylation, performed primarily by cytochrome P450 (CYP 450) 3A4 and CYP 2D6 groups of enzymes [4]. Minor metabolites of BUP and NBUP i.e hydroxybuprenorphine and hydroxynorbuprenorphine have also been reported [5], these are believed to occur after oxidation of the tertiary butyl group on both BUP and NBUP but do not make a significant contribution to the urinary profile. Peak plasma concentration times of BUP have reported to range from 0.66 hours to 3.5 hours, its halflife (t1/2) has been reported to be as long as 44 hours [6]. NBUP the primary metabolite of buprenorphine is by nature is a weak opiate agonist and has been reported as having a potency of one quarter of buprenorphine. It has also been reported that it possesses greater respiratory depressant effects than the parent and this phenomenon may controlled not by brain based opioid receptors but those located in the lung [7]. The half-life for NBUP JOURNAL OF APPLIED BIOANALYSIS, July 2015, p. 80-88. http://dx.doi.org/10.17145/jab.15.014 (ISSN 2405-710X) Vol. 1, No. 3
{"title":"Urine Analysis of Buprenorphine/Norbuprenorphine/Naloxone in Drugs and Driving Cases","authors":"A. Elian, J. Hackett","doi":"10.17145/JAB.15.014","DOIUrl":"https://doi.org/10.17145/JAB.15.014","url":null,"abstract":"It was Robinson who elucidated the active structure of morphine in 1925. Buprenorphine (2S)-2-[(5R,6R,7R,14S)-9αCyclopropylmethyl-4,5-epoxy-6,14-ethano-3-hydroxy-6methoxymorphinan-7-yl]-3,3-dimethylbutan-2-ol) which is a semi-synthetic opioid. It possesses partial agonist properties acting at μ-opioid receptor site, it also possesses antagonist characteristics acting mainly on the κ-opioid receptor site [1]. Its structure is derived from thebaine, and it has a structural similarity with morphine ((5α,6α)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol), but has been reported to be up to 50 times more potent, with a higher affinity for μ-opioid receptors compared with other opioids, including heroin (diacetyl morphine)[2]. Historically, buprenorphine was first synthesized 1966 by John Lewis working at Reckitt and Colman (later Reckitts). Lewis had previously been a doctoral student of Sir Robert Robinson, who had elucidated the active structure of morphine in 1925 [3]. Buprenorphine (BUP) is metabolized in human beings through to the active metabolite norbuprenorphine (NBUP) via the process of N-dealkylation, performed primarily by cytochrome P450 (CYP 450) 3A4 and CYP 2D6 groups of enzymes [4]. Minor metabolites of BUP and NBUP i.e hydroxybuprenorphine and hydroxynorbuprenorphine have also been reported [5], these are believed to occur after oxidation of the tertiary butyl group on both BUP and NBUP but do not make a significant contribution to the urinary profile. Peak plasma concentration times of BUP have reported to range from 0.66 hours to 3.5 hours, its halflife (t1/2) has been reported to be as long as 44 hours [6]. NBUP the primary metabolite of buprenorphine is by nature is a weak opiate agonist and has been reported as having a potency of one quarter of buprenorphine. It has also been reported that it possesses greater respiratory depressant effects than the parent and this phenomenon may controlled not by brain based opioid receptors but those located in the lung [7]. The half-life for NBUP JOURNAL OF APPLIED BIOANALYSIS, July 2015, p. 80-88. http://dx.doi.org/10.17145/jab.15.014 (ISSN 2405-710X) Vol. 1, No. 3","PeriodicalId":15014,"journal":{"name":"Journal of Applied Bioanalysis","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80904017","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M. Sturkenboom, Henk van der Lijke, Erwin M. Jongedijk, W. Kok, B. Greijdanus, D. Uges, J. Alffenaar
Clinical studies on tuberculosis have shown a correlation between low drug exposure and treatment failure and acquired drug resistance. Objective was to develop a LC-MS/MS method for the quantification of isoniazid, pyrazinamide and ethambutol. Stable isotope-labelled isoniazid-D4 and ethambutol-D4 were used as internal standards. Protein binding of isoniazid, pyrazinamide and ethambutol was investigated and proved low. Therefore, sample preparation using ultrafiltration could be applied, resulting in linear calibration curves in the range of 0.2-8 mg/L for isoniazid and ethambutol and 2-80 mg/L for pyrazinamide. The method was validated according to the guidelines of the FDA. A fast, simple and reliable LC-MS/MS method has been developed for the simultaneous determination of isoniazid, pyrazinamide and ethambutol in human serum for therapeutic drug monitoring and pharmacokinetic studies.
{"title":"Quantification of isoniazid, pyrazinamide and ethambutol in serum using liquid chromatography-tandem mass spectrometry","authors":"M. Sturkenboom, Henk van der Lijke, Erwin M. Jongedijk, W. Kok, B. Greijdanus, D. Uges, J. Alffenaar","doi":"10.17145/JAB.15.015","DOIUrl":"https://doi.org/10.17145/JAB.15.015","url":null,"abstract":"Clinical studies on tuberculosis have shown a correlation between low drug exposure and treatment failure and acquired drug resistance. Objective was to develop a LC-MS/MS method for the quantification of isoniazid, pyrazinamide and ethambutol. Stable isotope-labelled isoniazid-D4 and ethambutol-D4 were used as internal standards. Protein binding of isoniazid, pyrazinamide and ethambutol was investigated and proved low. Therefore, sample preparation using ultrafiltration could be applied, resulting in linear calibration curves in the range of 0.2-8 mg/L for isoniazid and ethambutol and 2-80 mg/L for pyrazinamide. The method was validated according to the guidelines of the FDA. A fast, simple and reliable LC-MS/MS method has been developed for the simultaneous determination of isoniazid, pyrazinamide and ethambutol in human serum for therapeutic drug monitoring and pharmacokinetic studies.","PeriodicalId":15014,"journal":{"name":"Journal of Applied Bioanalysis","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81238825","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Direct biomarkers to determine alcohol consumption during pregnancy, which one to use?","authors":"S. Wassenaar, B. Koch","doi":"10.17145/JAB.15.013","DOIUrl":"https://doi.org/10.17145/JAB.15.013","url":null,"abstract":"","PeriodicalId":15014,"journal":{"name":"Journal of Applied Bioanalysis","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82581148","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Understanding the clinical pharmacology of the antifibrinolytic drug epsilon-aminocaproic acid (EACA) is critical for rational drug administration in children. The aim of this study is to develop a reliable assay for the determination of EACA in human plasma. We describe a high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) assay for EACA in human plasma. Sample preparation involved plasma dilution (1:2040), followed by reversed-phase chro- matographic separation and selective detection using tandem mass spectrometry. EACA had a linear range of 1 - 250 µg/mL. The intraday precision based on the standard deviation of replicates of quality control samples ranged from 4.7 to 10.4% and the accuracy ranged from 92-106%. The interday precision ranged from 4.6 to 9.8% and the accuracy ranged from 95-103%. Stability stud- ies showed that EACA was stable during the conditions for sample preparation and storage. The described method is robust and successfully employed for clinical studies of EACA in children.
{"title":"A simple and selective liquid chromatography- tandem mass spectrometry method for determination of ε-aminocaproic acid in human plasma","authors":"G. Moorthy, P. Stricker, A. Zuppa","doi":"10.17145/JAB.15.016","DOIUrl":"https://doi.org/10.17145/JAB.15.016","url":null,"abstract":"Understanding the clinical pharmacology of the antifibrinolytic drug epsilon-aminocaproic acid (EACA) is critical for rational drug administration in children. The aim of this study is to develop a reliable assay for the determination of EACA in human plasma. We describe a high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) assay for EACA in human plasma. Sample preparation involved plasma dilution (1:2040), followed by reversed-phase chro- matographic separation and selective detection using tandem mass spectrometry. EACA had a linear range of 1 - 250 µg/mL. The intraday precision based on the standard deviation of replicates of quality control samples ranged from 4.7 to 10.4% and the accuracy ranged from 92-106%. The interday precision ranged from 4.6 to 9.8% and the accuracy ranged from 95-103%. Stability stud- ies showed that EACA was stable during the conditions for sample preparation and storage. The described method is robust and successfully employed for clinical studies of EACA in children.","PeriodicalId":15014,"journal":{"name":"Journal of Applied Bioanalysis","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81018258","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Therapeutic drug monitoring (TDM) is a concept for individualized drug dosing that was developed into clinical routine as a consequence of research findings on variable drug effects and analytical technology developments made in the 1950th and onwards, and founded the clinical pharmacology discipline (1,2). TDM in practice is about measuring a specific drug concentration in blood, serum or plasma, but may also include pharmacogenetic and pharmacodynamic investigations (3). For some time big hopes were put on pharmacogenetics to help explain inter-individual variability in drug response. It is now realized that variability may occur over time and relate to influences from both inborn as well as environmental factors, and that a more multifactorial approach is needed for complex biological systems (4). Examples of important use of TDM comprise treatment of epilepsy, infection, psychiatric disease and immunosuppression after transplantation (1,5,6). Analytical methods for TDM were using immunochemical, HPLC and GC techniques for long time, but this has recently, but slowly, been challenged by LC-MS techniques (7). One good example of this is methods for the immunosuppressive drugs tacrolimus, ciclosporin, sirolimus and everolimus (8,9). LC-MS methods have offered significant improvements in the quality of analytical method performance. It has been demonstrated that LC-MS offer improvement in accuracy, precision and cost-effectiveness, and also can be made robust. With the use of LC-MS in LC-tandem MS SRM mode multi-component methods can be constructed with unique combination of selectivity and sensitivity. Analytical method demands in TDM are set by the requirements of accuracy, cost-effectiveness, rapid reporting and robustness in a routine laboratory environment.
治疗性药物监测(Therapeutic drug monitoring, TDM)是个体化给药的概念，20世纪50年代及以后，由于对可变药物效应的研究发现和分析技术的发展，TDM发展成为临床常规，并建立了临床药理学学科(1,2)。TDM在实践中是测量血液、血清或血浆中的特定药物浓度，但也可能包括药理学和药效学研究(3)。一段时间以来，人们对药理学寄予厚望，希望它能帮助解释药物反应的个体差异。现在人们认识到，变异可能随着时间的推移而发生，并与先天和环境因素的影响有关，复杂的生物系统需要一种更多因素的方法(4)。TDM的重要应用包括治疗癫痫、感染、精神疾病和移植后免疫抑制(1,5,6)。长期以来，TDM的分析方法一直是使用免疫化学、高效液相色谱和气相色谱技术，但最近，这种方法逐渐受到LC-MS技术的挑战(7)。免疫抑制剂他克莫司、环孢素、西罗莫司和依维莫司的方法就是一个很好的例子(8,9)。LC-MS方法在分析方法性能的质量方面提供了显著的改进。事实证明，LC-MS在准确性、精密度和成本效益方面有所提高，并且可以使其具有鲁棒性。在串联质谱SRM模式下使用LC-MS可以构建具有独特的选择性和灵敏度组合的多组分方法。TDM中的分析方法要求是由常规实验室环境中的准确性、成本效益、快速报告和鲁棒性要求决定的。
{"title":"Can Pharmacometabolomics and LC-HRMS develop a new Concept for Therapeutic Drug Monitoring?","authors":"O. Beck","doi":"10.17145/JAB.15.008","DOIUrl":"https://doi.org/10.17145/JAB.15.008","url":null,"abstract":"Therapeutic drug monitoring (TDM) is a concept for individualized drug dosing that was developed into clinical routine as a consequence of research findings on variable drug effects and analytical technology developments made in the 1950th and onwards, and founded the clinical pharmacology discipline (1,2). TDM in practice is about measuring a specific drug concentration in blood, serum or plasma, but may also include pharmacogenetic and pharmacodynamic investigations (3). For some time big hopes were put on pharmacogenetics to help explain inter-individual variability in drug response. It is now realized that variability may occur over time and relate to influences from both inborn as well as environmental factors, and that a more multifactorial approach is needed for complex biological systems (4). Examples of important use of TDM comprise treatment of epilepsy, infection, psychiatric disease and immunosuppression after transplantation (1,5,6). Analytical methods for TDM were using immunochemical, HPLC and GC techniques for long time, but this has recently, but slowly, been challenged by LC-MS techniques (7). One good example of this is methods for the immunosuppressive drugs tacrolimus, ciclosporin, sirolimus and everolimus (8,9). LC-MS methods have offered significant improvements in the quality of analytical method performance. It has been demonstrated that LC-MS offer improvement in accuracy, precision and cost-effectiveness, and also can be made robust. With the use of LC-MS in LC-tandem MS SRM mode multi-component methods can be constructed with unique combination of selectivity and sensitivity. Analytical method demands in TDM are set by the requirements of accuracy, cost-effectiveness, rapid reporting and robustness in a routine laboratory environment.","PeriodicalId":15014,"journal":{"name":"Journal of Applied Bioanalysis","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2015-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82118281","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Phenolic compounds are considered as secondary metabolites and are widespread in the plant kingdom [1, 2]. These compounds are present in vegetables [3], fruits [4], tea [5] and red wine [6-8]. They are known for their oxidative defense [9], their ability to reduce certain cancers [10, 11], their preventive activity against infectious [12] and degenerative diseases [13,14]. Among these phenolic compounds, the proanthocyanidins (PAs) or flavan-3-ols represent a significant family and they play an important role during wine making [15] and red wine tasting [16]. Four monomeric units [17, 18] are present in the grape and red wine: (+)-catechin (C), (-)-epicatechin (EC), (-)-epigallocatechin (EGC) and (-)-epicatechin-3-O-gallate (ECG) (Figure 1). These monomers give rise to the formation of oligomers and polymers via an interflavan bond between C4 of the top unit and C6 or C8 [4, 19] of the lower unit and sometimes an additional ether bond between C2 of the top unit and C5 or C7 of the lower unit [20, 21]. (-)-epicatechin (EC), (+)-catechin (C) and (-)-epicatechin-3-O-gallate (ECG) are mainly located in grape seeds, whereas the monomeric unit (-)-epigallocatechin (EGC) is only present in grape skins [22, 23]. These compounds present in red wine are involved in the astringency phenomenon [16, 17], the bitterness, the body [24], the wine aging [25] and the organoleptic properties [26]. These proanthocyanidins have been studied by analytical method such as high-performance liquid chromatography (HPLC) [27], mass spectrometry coupled with UHPLC system [28], and nuclear magnetic resonance (NMR) [29]. In the current study, we first describe the theoretical possibilities to form oligomers with A and B-type interflavan bond. In a second part, we describe specific fragmentation pathways allowing the sequencing of proanthocyanidins in red wine using a UHPLC-ESI-Q-ToF. JOURNAL OF APPLIED BIOANALYSIS, Apr. 2015, p. 46-54. http://dx.doi.org/10.17145/jab.15.009 (ISSN 2405-710X) Vol. 1, No. 2
酚类化合物被认为是次生代谢物，在植物界广泛存在[1,2]。这些化合物存在于蔬菜[3]、水果[4]、茶[5]和红酒[6-8]中。众所周知，它们具有氧化防御[9]、减少某些癌症的能力[10,11]、对感染性疾病[12]和退行性疾病的预防作用[13,14]。在这些酚类化合物中，原花青素(PAs)或黄烷-3-醇是一个重要的家族，它们在酿酒[15]和红葡萄酒品鉴[16]中发挥着重要作用。四个单体的单位(17、18)存在于葡萄和红酒:(+)儿茶素(C),(-)表儿茶素(EC),(-)儿茶素(EGC)和(-)-epicatechin-3-O-gallate (ECG)(图1)。这些单体产生的形成低聚物和聚合物通过interflavan债券之间的C4的单位和C6、C8(4、19)的单位,有时一个额外的醚键之间C2的单位和C5或C7的单位(20、21)。(-)-表儿茶素(EC)、(+)-儿茶素(C)和(-)-表儿茶素-3- o -没食子酸酯(ECG)主要存在于葡萄籽中，而单体单位(-)-表没食子儿茶素(EGC)仅存在于葡萄皮中[22,23]。这些存在于红葡萄酒中的化合物与涩味现象[16,17]、苦味、酒体[24]、葡萄酒陈酿[25]和感官特性[26]有关。这些原花青素已通过高效液相色谱(HPLC)[27]、质谱联用UHPLC系统[28]、核磁共振(NMR)[29]等分析方法进行了研究。在目前的研究中，我们首先描述了形成具有A型和b型间键的低聚物的理论可能性。在第二部分中，我们描述了使用UHPLC-ESI-Q-ToF对红葡萄酒中原花青素进行测序的特定裂解途径。应用生物分析学报，2015,p. 46-54。http://dx.doi.org/10.17145/jab.15.009 (ISSN 2405-710X)第一卷，第2期
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