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Identification of potential volatile markers for characterizing Argentine wine vinegars based on their production process 根据生产工艺确定潜在的挥发性标记,以描述阿根廷葡萄酒醋的特征
IF 4.1 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-10-18 DOI: 10.1016/j.talo.2024.100370
Marcelo Wagner , Jorgelina Zaldarriaga Heredia , M. Pilar Segura-Borrego , M. Lourdes Morales , José M. Camiña , Silvana M. Azcarate , Raquel M. Callejón , Rocío Ríos-Reina
In Argentina, the production of quality wine vinegars has been barely exploited. Currently, most of the marketed vinegars are produced using rapid industrial fermentation systems obtaining vinegars with a high production rate, but with low quality and few organoleptic nuances. This work aims to study the volatile profile by headspace solid phase microextraction (HS-SPME) coupled to gas chromatography-mass spectrometry (GC–MS) and chemometrics to differentiate Argentinian wine vinegars according to their production process (industrial or traditional). A total of 92 volatile compounds were identified on the samples by using a strategy based on volatile profile processing using PARADISe® software. The complete volatile profile of all the samples was submitted to partial least squares discriminant analysis (PLS-DA) for the selection of variables with importance in the projection (VIPs). Thus, 37 volatile compounds with the potential to be markers of the manufacturing process were selected. The results obtained revealed, for the first time, the volatile profile of Argentine wine vinegars showing that the compound groups that, on average, exhibited higher relative areas were esters, acids, and alcohols. Thus, certain acids, aldehydes and terpenes were noticeably present in industrial wine vinegar. Conversely, the alcohols were strongly associated with traditional ones. In the case of esters, they were connected to the different types of wine vinegars. These compounds could be considered as potential volatile markers of quality and authenticity of these types of vinegars.
在阿根廷,优质葡萄酒醋的生产几乎没有得到开发。目前,市场上销售的大多数葡萄酒醋都是通过快速工业发酵系统生产出来的,虽然产量高,但质量低,感官上的细微差别也很少。这项研究旨在通过顶空固相微萃取(HS-SPME)结合气相色谱-质谱联用仪(GC-MS)和化学计量学来研究挥发性成分,从而根据生产工艺(工业或传统)来区分阿根廷葡萄酒醋。通过 PARADISe® 软件的挥发性特征处理策略,对样品中的 92 种挥发性化合物进行了鉴定。所有样品的完整挥发性曲线都经过了偏最小二乘判别分析(PLS-DA),以筛选出在预测中具有重要意义的变量(VIPs)。因此,选出了 37 种有可能成为生产过程标记的挥发性化合物。研究结果首次揭示了阿根廷葡萄酒醋的挥发性特征,显示酯类、酸类和醇类化合物的平均相对含量较高。因此,工业葡萄酒醋中明显含有某些酸、醛和萜烯。相反,醇类则与传统酿造工艺密切相关。酯类则与不同类型的葡萄酒醋有关。这些化合物可被视为这些类型酒醋质量和真实性的潜在挥发性标记。
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引用次数: 0
Evaluating the greenness, blueness, and whiteness of spectroscopic and UPLC techniques for the simultaneous measurement of anti-glaucoma drugs and the preservation agent 评估光谱技术和超高效液相色谱技术同时测定抗青光眼药物和保存剂的绿色、蓝色和白色
IF 4.1 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-10-18 DOI: 10.1016/j.talo.2024.100367
Eman A. Assirey , Noha S. katamesh , Mahmoud A. Mohamed
The pursuit of sustainable solutions is increasingly crucial in contemporary times. We propose inventive research that fulfills the criteria of whiteness and greenness in analytical chemistry. The endeavor aims to advance environmentally conscious techniques for the simultaneous detection of timolol maleate (TIM), dorzolamide HCl (DOR), and benzalkonium Cl (BNZ). The first method employed a sustainable mobile phase consisting of 0.02 M phosphate buffer: ethanol (68:32, v/v), and a flow rate of 0.6 mL/min with retention times 1.274, 1.798, and 2.483 min for DOR, TIM, and BNZ, respectively, with a UV detector at 210 nm. This methodology was easy, fast, and accurate. The approach showed low processing times, peak symmetry, and satisfactory resolution, with correlation values of 0.999. The linearity was between 0.001–0.064, 0.001–0.060 µg mL-1, and 0.001–0.050 µg mL-1for DOR, TIM, and BNZ, respectively. Furthermore, employing water as the solvent, complementary spectrophotometric methods such as Mean Centering of Ratio Spectra (MCR) and Successive Derivative Ratio Spectra (SRDS) were investigated as economical and environmentally friendly substitutes. All procedures demonstrated good linearity (r² > 0.9990), acceptable accuracy, and precision (RSD ≤ 2 %). Furthermore, by proving the superiority of the current work over previously published methods regarding sustainability, analytical performance, economics, and practicality, the real-world implementation of four greenness and whiteness algorithms boosts the approval and overall sustainable development of the proposed methods. The suggested techniques offer low-cost, environmentally friendly substitutes for traditional methods, advancing the field of analytical chemistry towards more sustainable practices and fostering a less destructive future for quality control.
在当代,追求可持续发展的解决方案越来越重要。我们建议开展创造性研究,以满足分析化学中的白色和绿色标准。这项工作旨在推进具有环保意识的同时检测马来酸噻吗洛尔(TIM)、盐酸多佐胺(DOR)和苯扎氯铵(BNZ)的技术。第一种方法采用的流动相为 0.02 M 磷酸盐缓冲液:乙醇(68:32, v/v),流速为 0.6 mL/min,DOR、TIM 和 BNZ 的保留时间分别为 1.274、1.798 和 2.483 min,紫外检测器的波长为 210 nm。该方法简便、快速、准确。该方法处理时间短,峰值对称,分辨率令人满意,相关值达到 0.999。DOR、TIM 和 BNZ 的线性范围分别为 0.001-0.064、0.001-0.060 µg mL-1 和 0.001-0.050 µg mL-1。此外,还研究了以水为溶剂的互补分光光度法,如平均中心比色光谱法(MCR)和连续衍生比色光谱法(SRDS),以作为经济、环保的替代方法。所有程序都表现出良好的线性(r² > 0.9990)、可接受的准确度和精确度(RSD ≤ 2 %)。此外,通过证明当前工作在可持续性、分析性能、经济性和实用性方面优于之前已发表的方法,四种绿色度和白度算法在现实世界中的实施促进了建议方法的认可和整体可持续发展。所建议的技术为传统方法提供了低成本、环保的替代品,推动分析化学领域朝着更可持续的方向发展,为质量控制创造一个破坏性更小的未来。
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引用次数: 0
Absolute mass spectrometry: A theoretical analytical technique for quantification 绝对质谱法:用于定量的理论分析技术
IF 4.1 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-10-16 DOI: 10.1016/j.talo.2024.100366
Ignacio J. Rios, Fabiana C. Gennari
Mass spectrometry (MS) is an analytical chemistry technique that requires calibration with standards in order to quantify an analyte in a sample. In many cases the reference standards may be difficult to obtain or unavailable. In fact, when MS is applied to study reactions that yield multiple products, their quantification requires several standards and involves time-consuming and tedious calibration procedures. In other applications like Mass Spectrometry Imaging (MSI), quantification becomes even more tedious when on-tissue standards or mimetic tissue models are required. In this work, we introduce a new measurement technique that we called the Absolute Mass Spectrometry (AbMS), which allows the absolute quantification of an analyte without the need for calibration standards. This technique is based on the “Influence Method” developed in 2015 for nuclear measurements which, when applied to MS, produces this improvement for analyte quantification. Two possible applications of this technique are presented. One is the conceptual development of a mass spectrometer with electronic ionization that does not require calibration to determine the amount of analyte. The other one describes how to apply this technique in a mass spectrometer with other ionization sources like MALDI, DESI, and SIMS, which are used in MSI. AbMS technique uses the conceptual basis of Influence Method and two consecutive measurements to estimate the amount of analyte. Specifically, AbMS can be directly employed as an absolute method for quantification in MSI. Therefore, it constitutes an attractive complement for research applications in pharmaceutical and health sciences.
质谱法(MS)是一种分析化学技术,需要用标准物质进行校准,才能对样品中的分析物进行定量。在许多情况下,参考标准可能难以获得或无法获得。事实上,当质谱应用于研究产生多种产物的反应时,其定量需要多个标准,并涉及耗时而繁琐的校准程序。在质谱成像(MSI)等其他应用中,如果需要组织上的标准或模拟组织模型,定量工作就会变得更加繁琐。在这项工作中,我们引入了一种新的测量技术,称为绝对质谱法(AbMS),无需校准标准即可对分析物进行绝对定量。该技术基于 2015 年开发的用于核测量的 "影响法",将其应用于质谱时,可改进分析物的定量。本文介绍了该技术的两种可能应用。其一是概念性地开发一种无需校准即可确定分析物含量的电子电离质谱仪。另一种是介绍如何在质谱仪中应用该技术,以及在 MSI 中使用的其他电离源,如 MALDI、DESI 和 SIMS。AbMS 技术利用影响法的概念基础和两次连续测量来估算分析物的含量。具体来说,AbMS 可直接用作 MSI 中的绝对定量方法。因此,它是制药和健康科学研究应用中一种极具吸引力的补充方法。
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引用次数: 0
A validated high-performance liquid chromatography-ultraviolet method for the determination of valproic acid derivatives in pharmaceutical formulations with a microbiological suitability evaluation 高效液相色谱-紫外法测定药物制剂中丙戊酸衍生物的有效方法及微生物适用性评估
IF 4.1 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-10-01 DOI: 10.1016/j.talo.2024.100365
Abdullah H. Alluhayb , Mostafa F. Al-Hakkani , Mahmoud Abdulnasser , Bandar R. Alsehli , Mohammed S. Saddik , Mohammad H.A. Hassan , Sayed M Saleh
Valproic acid and its derivatives are common drugs used in the treatment of epilepsy, a result of CNS disorders. Because the molecular structure of valproic acid, as a fatty acid, does not contain any chromophore groups, its peak response demanded special conditions to be detected in HPLC, ensuring the best precision results. Still, the current approach illustrates simple, validated procedures for conduction. The conducted chromatographic system consists of the BDS Hypersil C8, 150 × 4.6 mm, 5 µm column using a mobile phase of acetonitrile: phosphate buffer (4:6) at a detection wavelength of 215 nm at room temperature. A full method validation study was conducted and approved to ensure precise, repeatable, and accurate results by implementing system suitability parameters. In microbiological terms, a suitability test is used to validate microbiological testing methods, ensuring their efficacy despite potential interference from antimicrobial properties in the tested materials. The HPLC-UV developed and validated analytical method was evaluated, and it was found to be sensitive for use in the detection of low concentrations of methylparaben, propylparaben, and valproate with an optimum run time of six minutes. limit of detection (LODs) were statistically estimated and found to be 2.27 µg/mL, 39.77 ng/mL, and 1.84 µg/mL for methylparaben, propylparaben, and valproate, respectively. Additionally, the method demonstrated a high recovery of methylparaben, propylparaben, and valproate with an excellent closed-accuracy range (98.84% - 101.34%). An excellent regression coefficient (r) of 0.99924, 0.99998, and 0.99997 for methylparaben, valproate, and propylparaben, respectively, was achieved. Assay determination of various pharmaceutical dosage forms in the local market was implemented, yielding admirable results.
丙戊酸及其衍生物是治疗中枢神经系统疾病癫痫的常用药物。由于丙戊酸是一种脂肪酸,其分子结构中不含任何发色团,因此其峰值响应需要特殊条件才能在高效液相色谱法中检测到,以确保获得最佳精度结果。不过,目前的方法说明了简单、有效的传导程序。色谱系统采用 BDS Hypersil C8 色谱柱,150 × 4.6 mm,5 µm,流动相为乙腈:磷酸盐缓冲液(4:6),室温下检测波长为 215 nm。为确保检测结果的精确性、可重复性和准确性,我们进行了全面的方法验证研究,并通过了系统适用性参数的设置。从微生物学角度讲,适宜性测试用于验证微生物测试方法,确保这些方法在受测材料的抗菌特性可能造成干扰的情况下仍然有效。对开发和验证的 HPLC-UV 分析方法进行了评估,发现该方法灵敏度高,可用于检测低浓度的尼泊金甲酯、尼泊金丙酯和丙戊酸酯,最佳运行时间为 6 分钟。经统计估算,发现尼泊金甲酯、尼泊金丙酯和丙戊酸酯的检测限(LOD)分别为 2.27 µg/mL、39.77 ng/mL 和 1.84 µg/mL。此外,该方法还显示出对羟基苯甲酸甲酯、对羟基苯甲酸丙酯和丙戊酸钠的高回收率和极佳的闭合准确度范围(98.84% - 101.34%)。苯甲酸甲酯、丙戊酯和丙戊酯的回归系数(r)分别为 0.99924、0.99998 和 0.99997。对本地市场上的各种药物剂型进行了测定,结果令人满意。
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引用次数: 0
Development an automated and high -throughput analysis methods for detecting 64 anabolic androgenic steroids in urine using gas chromatography-mass spectrometry 利用气相色谱-质谱法开发自动化高通量分析方法,检测尿液中的 64 种合成代谢雄性类固醇
IF 4.1 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-10-01 DOI: 10.1016/j.talo.2024.100362
Zhaobo Wu , Aoxin Ma , Lili Xing , Xiaochen Huang , Guojun Li , Kaoqi Lian
A gas chromatography tandem mass spectrometry (GC–MS/MS) assay was developed for the simultaneous detection of 64 anabolic androgenic steroids (AAS). Urine is extracted with tertbutyl methyl ether under alkaline conditions, purified with C18, and derived through silanization, Detection is carried out in dynamic multiple reaction monitoring (dMRM) mode, The overall recoveries ranged from 74.31 % to 119.66 %, The relative standard deviation is <10 %, with a linear range of 1–200 ng/ml, The linear range of endogenous androsterone (A) and etiocholanolone (Etio) is 1.7–10,000 ng/ml, with a correlation coefficient 0.9991– 0.9999. The limit of detection (LOD) range of this experiment was 0.2 ng/ml-1.2 ng/ml, and limit of quantification (LOQ) was 0.7 ng/ml-4 ng/ml, The results of testing 100 actual samples show that this method is simple, effective and feasible, and can be used for the detection of AAS, meeting the requirements of the World Anti Doping Agency (WADA)
开发了一种气相色谱串联质谱(GC-MS/MS)测定法,用于同时检测 64 种同化雄性类固醇(AAS)。尿液在碱性条件下用叔丁基甲醚提取,经 C18 纯化,硅烷化衍生,以动态多反应监测(dMRM)模式进行检测。内源性雄性酮(A)和乙酰胆碱酮(Etio)的线性范围为 1.7-10,000 ng/ml,相关系数为 0.9991- 0.9999。本实验的检出限(LOD)范围为 0.2 纳克/毫升-1.2 纳克/毫升,定量限(LOQ)为 0.7 纳克/毫升-4 纳克/毫升,100 份实际样品的检测结果表明该方法简单、有效、可行,可用于 AAS 的检测,符合世界反兴奋剂机构(WADA)的要求。
{"title":"Development an automated and high -throughput analysis methods for detecting 64 anabolic androgenic steroids in urine using gas chromatography-mass spectrometry","authors":"Zhaobo Wu ,&nbsp;Aoxin Ma ,&nbsp;Lili Xing ,&nbsp;Xiaochen Huang ,&nbsp;Guojun Li ,&nbsp;Kaoqi Lian","doi":"10.1016/j.talo.2024.100362","DOIUrl":"10.1016/j.talo.2024.100362","url":null,"abstract":"<div><div>A gas chromatography tandem mass spectrometry (GC–MS/MS) assay was developed for the simultaneous detection of 64 anabolic androgenic steroids (AAS). Urine is extracted with tertbutyl methyl ether under alkaline conditions, purified with C18, and derived through silanization, Detection is carried out in dynamic multiple reaction monitoring (dMRM) mode, The overall recoveries ranged from 74.31 % to 119.66 %, The relative standard deviation is &lt;10 %, with a linear range of 1–200 ng/ml, The linear range of endogenous androsterone (A) and etiocholanolone (Etio) is 1.7–10,000 ng/ml, with a correlation coefficient 0.9991– 0.9999. The limit of detection (LOD) range of this experiment was 0.2 ng/ml-1.2 ng/ml, and limit of quantification (LOQ) was 0.7 ng/ml-4 ng/ml, The results of testing 100 actual samples show that this method is simple, effective and feasible, and can be used for the detection of AAS, meeting the requirements of the World Anti Doping Agency (WADA)</div></div>","PeriodicalId":436,"journal":{"name":"Talanta Open","volume":"10 ","pages":"Article 100362"},"PeriodicalIF":4.1,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142427050","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
Digital identification and adulteration analysis of bupleurum chinense and bupleurum marginatum based on "digital identity" and UHPLC-QTOF-MSE 基于 "数字身份 "和超高效液相色谱-QTOF-MSE的柴胡和毛茛的数字鉴定和掺假分析
IF 4.1 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-09-29 DOI: 10.1016/j.talo.2024.100361
Xian rui Wang, Jia ting Zhang , Wen guang Jing, Ming hua Li, Xiao han Guo, Xian long Cheng, Feng Wei

Background and objectives

one of the legal sources of Bupleuri Radix (BR) is the Bupleurum chinense (BC), rather than the Bupleurum marginatum (BM). However, fake incidents of BM mixed with BC often occur in the market, which makes it more difficult to supervise the quality of BR and even endanger the life and health of patients. To strengthen the quality control and supervision of BP, we carried out digital identification and adulteration analysis of BC and BM based on the "digital identity" and UHPLC-QTOF-MSE.

Method

firstly, the BC and BM were analyzed by UHPLC-QTOF-MSE to obtain the quantized data characterization of chemical components. Secondly, the shared ions were extracted from different batches of BC and BM's control medicinal materials as their "data representation of ions", respectively. Then, the data matrices of unique ions of BC relative to BM and BM relative to BC were screened out, and the Top-N ions were outputted as the "digital identities" of BC and BM, sorted by ionic strength. Finally, the above "digital identities" of BC and BM were used as benchmarks for matching positive samples and commercial samples to feedback on matching credibility (MC).

Results

the results showed that based on the "digital identities" of BC and BM, the digital identification of BC, BM, and positive samples can be realized efficiently and accurately at the individual level of Chinese medicine, even if 3 % of BM in the mixed samples can still be identified efficiently and accurately. 10 batches of market samples were identified as adulterated samples. Furthermore, chemometric analysis has proven the reliability of BC and BM-based "digital identity" identification.

Conclusion

It proved that the identification and adulteration analysis of two herbs can be realized efficiently and quickly through the "digital identities" of BC and BM. It has important reference significance for developing non-targeted digital identification of herbal medicines at the individual level of Chinese medicine based on "digital identity", which was beneficial to the construction of digital Chinese medicine and digital quality control.
背景和目的柴胡(Bupleururi Radix,BR)的合法来源之一是柴胡(Bupleurum chinense,BC),而非柴胡(Bupleurum marginatum,BM)。但市场上经常出现柴胡掺柴胡的造假事件,增加了柴胡质量监管的难度,甚至危及患者的生命健康。为加强BP的质量控制和监管,我们基于 "数字身份 "和UHPLC-QTOF-MSE对BC和BM进行了数字鉴定和掺假分析。其次,分别从不同批次的 BC 和 BM 对照药材中提取共有离子作为其 "离子数据表示"。然后,筛选出 BC 相对于 BM 和 BM 相对于 BC 的唯一离子数据矩阵,并按离子强度排序,输出 Top-N 离子作为 BC 和 BM 的 "数字标识"。结果表明,基于萃取物和生物碱的 "数字标识",可以在中药个体水平上高效、准确地实现萃取物、生物碱和阳性样品的数字鉴定,即使混合样品中3%的生物碱也能高效、准确地鉴定出来。10 批次市场样品被鉴定为掺假样品。通过化学计量分析,证明了基于 BC 和 BM "数字身份 "鉴定的可靠性。对开展基于 "数字身份 "的中药个体层面的非靶向数字鉴定具有重要的参考意义,有利于数字中药的建设和数字质量控制。
{"title":"Digital identification and adulteration analysis of bupleurum chinense and bupleurum marginatum based on \"digital identity\" and UHPLC-QTOF-MSE","authors":"Xian rui Wang,&nbsp;Jia ting Zhang ,&nbsp;Wen guang Jing,&nbsp;Ming hua Li,&nbsp;Xiao han Guo,&nbsp;Xian long Cheng,&nbsp;Feng Wei","doi":"10.1016/j.talo.2024.100361","DOIUrl":"10.1016/j.talo.2024.100361","url":null,"abstract":"<div><h3>Background and objectives</h3><div>one of the legal sources of <em>Bupleuri Radix</em> (BR) is the <em>Bupleurum chinense</em> (BC), rather than the <em>Bupleurum marginatum</em> (BM). However, fake incidents of BM mixed with BC often occur in the market, which makes it more difficult to supervise the quality of BR and even endanger the life and health of patients. To strengthen the quality control and supervision of BP, we carried out digital identification and adulteration analysis of BC and BM based on the \"digital identity\" and UHPLC-QTOF-MS<sup>E</sup>.</div></div><div><h3>Method</h3><div>firstly, the BC and BM were analyzed by UHPLC-QTOF-MS<sup>E</sup> to obtain the quantized data characterization of chemical components. Secondly, the shared ions were extracted from different batches of BC and BM's control medicinal materials as their \"data representation of ions\", respectively. Then, the data matrices of unique ions of BC relative to BM and BM relative to BC were screened out, and the Top-N ions were outputted as the \"digital identities\" of BC and BM, sorted by ionic strength. Finally, the above \"digital identities\" of BC and BM were used as benchmarks for matching positive samples and commercial samples to feedback on matching credibility (MC).</div></div><div><h3>Results</h3><div>the results showed that based on the \"digital identities\" of BC and BM, the digital identification of BC, BM, and positive samples can be realized efficiently and accurately at the individual level of Chinese medicine, even if 3 % of BM in the mixed samples can still be identified efficiently and accurately. 10 batches of market samples were identified as adulterated samples. Furthermore, chemometric analysis has proven the reliability of BC and BM-based \"digital identity\" identification.</div></div><div><h3>Conclusion</h3><div>It proved that the identification and adulteration analysis of two herbs can be realized efficiently and quickly through the \"digital identities\" of BC and BM. It has important reference significance for developing non-targeted digital identification of herbal medicines at the individual level of Chinese medicine based on \"digital identity\", which was beneficial to the construction of digital Chinese medicine and digital quality control.</div></div>","PeriodicalId":436,"journal":{"name":"Talanta Open","volume":"10 ","pages":"Article 100361"},"PeriodicalIF":4.1,"publicationDate":"2024-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142426998","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
Molecularly imprinted polymers-based biosensors for gynecological diagnostics and monitoring 基于分子印迹聚合物的妇科诊断和监测生物传感器
IF 4.1 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-09-28 DOI: 10.1016/j.talo.2024.100364
Faezeh Ghorbanizamani , Hichem Moulahoum , Figen Zihnioglu , Suna Timur
Molecularly Imprinted Polymers (MIPs) offer promising advancements in gynecological diagnostics due to their high selectivity, stability, and cost-effectiveness. This review explores the application of MIP-based biosensors in detecting biomarkers for gynecological cancer, infections, and hormonal monitoring. Despite significant progress in MIP technology, its integration into clinical gynecology remains limited. The review provides a deep dive into the synthesis and characterization process of MIPs, current diagnostic methods, and the potential of emerging diagnostic approaches such as microfluidics and nanotechnology. Then, an overview of the various conditions, diseases, and potential biomarkers is explored. Emphasizing the importance of women's health, the review analyzes the latest research in MIP-based biosensing of gynecological conditions and calls for increased research and development to bridge the gap between laboratory innovation and clinical application. The goal is to enhance early detection, improve patient outcomes, and reduce healthcare costs. This advancement is essential for better disease management and personalized treatment in gynecology.
分子印迹聚合物(MIP)具有高选择性、稳定性和成本效益,有望推动妇科诊断技术的发展。本综述探讨了基于 MIP 的生物传感器在检测妇科癌症、感染和激素监测生物标记物方面的应用。尽管 MIP 技术取得了重大进展,但其在妇科临床中的应用仍然有限。本综述深入探讨了 MIP 的合成和表征过程、当前的诊断方法以及微流控和纳米技术等新兴诊断方法的潜力。然后,概述了各种情况、疾病和潜在的生物标记物。该综述强调了妇女健康的重要性,分析了基于 MIP 的妇科疾病生物传感的最新研究,呼吁加强研发,缩小实验室创新与临床应用之间的差距。我们的目标是加强早期检测,改善患者预后,降低医疗成本。这一进步对于妇科疾病的更好管理和个性化治疗至关重要。
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引用次数: 0
Recent advances in e-nose for potential applications in Covid-19 infection 电子鼻在潜在应用于 Covid-19 感染方面的最新进展
IF 4.1 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-09-24 DOI: 10.1016/j.talo.2024.100363
Jay Rana, Sonal Desai
E-nose devices are designed to detect odours and flavours. The versatility and sensitivity of e-nose technology make it a valuable tool in various fields including medical diagnosis, environmental monitoring, and security and safety. The utility of e-nose is extended to detect volatile organic compounds (VOCs) in breath and other bodily fluids that are indicative of COVID-19 infection. Several studies have shown promising results in terms of accuracy and sensitivity of e-nose devices for COVID-19 detection, and this technology has the potential to be used as a non-invasive and rapid screening tool for COVID-19 in high-risk environments such as hospitals and airports. However, further research and development are needed to optimize the sensitivity and specificity of e-nose devices for COVID-19 detection, and large-scale studies are needed to confirm the accuracy and effectiveness of these devices in real-world settings. This article covers the details about the purpose, working principle of e-nose along with its applicability for COVID-19 detection.
电子鼻设备专为检测气味和味道而设计。电子鼻技术的多功能性和灵敏度使其成为医疗诊断、环境监测、安保和安全等多个领域的重要工具。电子鼻的用途已扩展到检测呼吸和其他体液中表明 COVID-19 感染的挥发性有机化合物 (VOC)。多项研究表明,电子鼻设备在检测 COVID-19 的准确性和灵敏度方面取得了可喜的成果,该技术有望在医院和机场等高风险环境中用作 COVID-19 的无创快速筛查工具。然而,还需要进一步研究和开发,以优化电子鼻设备检测 COVID-19 的灵敏度和特异性,还需要进行大规模研究,以确认这些设备在实际环境中的准确性和有效性。本文详细介绍了电子鼻的用途、工作原理及其在 COVID-19 检测中的适用性。
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引用次数: 0
Identification of marijuana using silver-phosphine ion complexation and a semi-quantitative 1 % decision-point assay 利用银-膦离子络合和半定量 1% 决定点测定法鉴定大麻
IF 4.1 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-09-24 DOI: 10.1016/j.talo.2024.100359
Alleigh N. Couch , Jayleigh M. Lanza , Christopher M. Zall , J. Tyler Davidson
Due to the strict federal regulations concerning ∆9-tetrahydrocannabinol (∆9-THC) content for the differentiation of hemp and marijuana outlined in the 2018 Farm Bill, the ability to quickly and reliably differentiate cannabis as marijuana or hemp is crucial within both the seized drug community and hemp industry. This study provides a novel direct mass spectrometry approach for the identification of marijuana using Ag-phosphine ion complexation and a semi-quantitative 1 % decision-point assay. The main constituents of hemp and marijuana, cannabidiol (CBD) and ∆9-THC, are isomeric and cannot be differentiated using soft ionization mass spectrometry techniques alone. However, the incorporation of [Ag(PPh3)(OTf)]2 enables the formation of unique MS/MS product ions at m/z 421/423, m/z 353/355, and m/z 231 for CBD due to differences in binding affinity, allowing CBD to be differentiated from ∆9-THC. Likewise, the isomeric cannabinoid precursors ∆9-tetrahydrocannabinolic acid (∆9-THCA) and cannabidiolic acid (CBDA) can be differentiated due to the formation of unique MS/MS product ions at m/z 465/467 and m/z 379/381, which are specific to CBDA. Eight additional cannabinoids were also characterized utilizing the proposed Ag-phosphine ion complexation approach. To reduce the potential for false positives, a more conservative 1 % decision-point assay was developed by fortifying 1 % weight-by-volume ∆9-THC-d9 into methanolic extracts of authentic cannabis plant material, followed by assessing if the total ∆9-THC content (composed of ∆9-THC and ∆9-THCA) was greater than or less than the intensity of the spiked internal standard. When the developed approach was applied to 20 methanolic extracts of authentic cannabis samples with known cannabinoid compositions, 90 % of the samples were correctly identified as marijuana or not marijuana based on the 1 % administrative threshold for the total ∆9-THC content. The two lone misidentifications were due to the presence of elevated ∆8-THC, which highlights the necessity to explore more selective ligands in the future. This study provides the first application of Ag-ligand ion complexation for the identification of marijuana based on a semi-quantitative 1 % decision-point assay, which shows great promise as an alternative method for the rapid identification of marijuana.
由于 2018 年农业法案对区分大麻和大麻的∆9-四氢大麻酚(∆9-THC)含量做出了严格的联邦规定,因此快速可靠地将大麻区分为大麻或大麻的能力对于缉毒界和大麻行业都至关重要。本研究提供了一种新颖的直接质谱方法,利用银膦离子络合和半定量 1% 决定点测定法来鉴定大麻。大麻和大麻的主要成分大麻二酚(CBD)和∆9-THC 是同分异构体,仅使用软电离质谱技术无法区分。然而,由于结合亲和力的不同,[Ag(PPh3)(OTf)]2 的加入使得大麻二酚在 m/z 421/423、m/z 353/355 和 m/z 231 处形成了独特的 MS/MS 产物离子,从而可以将大麻二酚与∆9-THC 区分开来。同样,由于在 m/z 465/467 和 m/z 379/381 处形成了 CBDA 特有的独特 MS/MS 产物离子,因此可以区分异构大麻素前体∆9-四氢大麻酚酸(∆9-THCA)和大麻二醇酸(CBDA)。另外八种大麻素也采用了拟议的银膦离子复合方法进行表征。为了减少假阳性的可能性,开发了一种更为保守的 1% 决定点检测法,即在正宗大麻植物材料的甲醇提取物中按体积重量添加 1% 的 ∆9-THC-d9 ,然后评估总 ∆9-THC 含量(由 ∆9-THC 和 ∆9-THCA 组成)是否大于或小于加标内标强度。将所开发的方法应用于 20 个已知大麻素成分的真实大麻样品的甲醇提取物时,根据总 ∆9-THC 含量的 1% 管理阈值,90% 的样品被正确识别为大麻或非大麻。仅有的两次错误鉴定是由于∆8-THC 含量升高所致,这表明今后有必要探索更具选择性的配体。本研究首次在半定量 1% 决定点检测的基础上将银配体离子复合物应用于大麻鉴定,作为一种快速鉴定大麻的替代方法,它显示了巨大的前景。
{"title":"Identification of marijuana using silver-phosphine ion complexation and a semi-quantitative 1 % decision-point assay","authors":"Alleigh N. Couch ,&nbsp;Jayleigh M. Lanza ,&nbsp;Christopher M. Zall ,&nbsp;J. Tyler Davidson","doi":"10.1016/j.talo.2024.100359","DOIUrl":"10.1016/j.talo.2024.100359","url":null,"abstract":"<div><div>Due to the strict federal regulations concerning ∆<sup>9</sup>-tetrahydrocannabinol (∆<sup>9</sup>-THC) content for the differentiation of hemp and marijuana outlined in the 2018 Farm Bill, the ability to quickly and reliably differentiate cannabis as marijuana or hemp is crucial within both the seized drug community and hemp industry. This study provides a novel direct mass spectrometry approach for the identification of marijuana using Ag-phosphine ion complexation and a semi-quantitative 1 % decision-point assay. The main constituents of hemp and marijuana, cannabidiol (CBD) and ∆<sup>9</sup>-THC, are isomeric and cannot be differentiated using soft ionization mass spectrometry techniques alone. However, the incorporation of [Ag(PPh<sub>3</sub>)(OTf)]<sub>2</sub> enables the formation of unique MS/MS product ions at <em>m/z</em> 421/423, <em>m/z</em> 353/355, and <em>m/z</em> 231 for CBD due to differences in binding affinity, allowing CBD to be differentiated from ∆<sup>9</sup>-THC. Likewise, the isomeric cannabinoid precursors ∆<sup>9</sup>-tetrahydrocannabinolic acid (∆<sup>9</sup>-THCA) and cannabidiolic acid (CBDA) can be differentiated due to the formation of unique MS/MS product ions at <em>m/z</em> 465/467 and <em>m/z</em> 379/381, which are specific to CBDA. Eight additional cannabinoids were also characterized utilizing the proposed Ag-phosphine ion complexation approach. To reduce the potential for false positives, a more conservative 1 % decision-point assay was developed by fortifying 1 % weight-by-volume ∆<sup>9</sup>-THC-<em>d<sub>9</sub></em> into methanolic extracts of authentic cannabis plant material, followed by assessing if the total ∆<sup>9</sup>-THC content (composed of ∆<sup>9</sup>-THC and ∆<sup>9</sup>-THCA) was greater than or less than the intensity of the spiked internal standard. When the developed approach was applied to 20 methanolic extracts of authentic cannabis samples with known cannabinoid compositions, 90 % of the samples were correctly identified as marijuana or not marijuana based on the 1 % administrative threshold for the total ∆<sup>9</sup>-THC content. The two lone misidentifications were due to the presence of elevated ∆<sup>8</sup>-THC, which highlights the necessity to explore more selective ligands in the future. This study provides the first application of Ag-ligand ion complexation for the identification of marijuana based on a semi-quantitative 1 % decision-point assay, which shows great promise as an alternative method for the rapid identification of marijuana.</div></div>","PeriodicalId":436,"journal":{"name":"Talanta Open","volume":"10 ","pages":"Article 100359"},"PeriodicalIF":4.1,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142358841","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
A novel, simple and rapid assay to measure citrate level in bacterial culture for analysis of citrate consumption by bacteria 一种测量细菌培养物中柠檬酸盐含量的新颖、简单而快速的测定法,用于分析细菌对柠檬酸盐的消耗量
IF 4.1 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-09-24 DOI: 10.1016/j.talo.2024.100360
Rattiyaporn Kanlaya, Chonnicha Subkod, Visith Thongboonkerd
Citrate is essential for Krebs cycle in eukaryotes and serves as a carbon source for some bacteria to survive/grow. Available methods for measuring citrate level rely mainly on enzymatic reactions and/or sophisticated instrumentations. This study aimed to develop a novel, simple and rapid assay to quantify citrate in bacterial culture for analysis of citrate consumption. The assay was initially tested with 0.1–25.6 mM citrate in deionized (dI) water or complete M9 medium without/with 0.25 M HCl. Wavelength scan revealed maximum absorption of citrate at λ210 nm with linear calibration curve (R2 = 0.9997–0.9999) when HCl was added. Among negatively charged chemicals tested, only oxalate interfered with the assay. After 24-h inoculation of Klebsiella pneumoniae (the known citrate-utilizing bacterium) in (20 mM) citrate-containing complete M9 medium, the remaining citrate significantly decreased (by 22.20±7.13 % consumption). However, a mild decrease was also observed in the sample without bacterial inoculation, suggesting that some components of the complete medium interfered with the assay. It was clearly evidenced that M9 salt, CaCl2 and/or MgSO4 were responsible for such interference. Finally, citrate at low concentrations (0.1–6.4 mM) in M9 medium with CaCl2 and/or MgSO4 provided the linear calibration curve (R2 = 0.9451–0.9986). At 5 mM, citrate consumption by K. pneumoniae after 24-h culture was 46.88±0.47 %. In summary, we have successfully developed a novel, simple and rapid method for measuring citrate level in bacterial culture. It will be very useful for measuring citrate consumption by typical and atypical citrate-utilizing bacteria for classification, mechanistic and pathophysiologic studies.
柠檬酸盐是真核生物克雷布斯循环所必需的,也是某些细菌生存/生长的碳源。现有的柠檬酸盐水平测量方法主要依赖于酶反应和/或复杂的仪器。本研究旨在开发一种新颖、简单、快速的柠檬酸盐定量检测方法,用于分析细菌培养过程中柠檬酸盐的消耗量。该测定法最初在去离子水(dI)或不含/含 0.25 M HCl 的完全 M9 培养基中以 0.1-25.6 mM 柠檬酸盐进行测试。波长扫描显示,当加入盐酸时,柠檬酸盐在λ210 nm处有最大吸收,并有线性校准曲线(R2 = 0.9997-0.9999)。在测试的带负电荷的化学物质中,只有草酸盐干扰了测定。将肺炎克雷伯氏菌(已知的柠檬酸利用细菌)接种到含 20 mM 柠檬酸的完全 M9 培养基中 24 小时后,剩余柠檬酸显著减少(消耗 22.20±7.13%)。然而,在未接种细菌的样品中也观察到了轻微的下降,这表明完全培养基中的某些成分干扰了测定。显然,M9 盐、CaCl2 和/或 MgSO4 是造成这种干扰的原因。最后,在含有 CaCl2 和/或 MgSO4 的 M9 培养基中,低浓度(0.1-6.4 mM)的柠檬酸盐提供了线性校准曲线(R2 = 0.9451-0.9986)。在 5 mM 条件下,肺炎克雷伯菌培养 24 小时后消耗的柠檬酸为 46.88±0.47 %。总之,我们成功地开发了一种新颖、简便、快速的细菌培养柠檬酸盐含量测量方法。该方法对于测量典型和非典型柠檬酸利用细菌的柠檬酸消耗量非常有用,可用于分类、机理和病理生理学研究。
{"title":"A novel, simple and rapid assay to measure citrate level in bacterial culture for analysis of citrate consumption by bacteria","authors":"Rattiyaporn Kanlaya,&nbsp;Chonnicha Subkod,&nbsp;Visith Thongboonkerd","doi":"10.1016/j.talo.2024.100360","DOIUrl":"10.1016/j.talo.2024.100360","url":null,"abstract":"<div><div>Citrate is essential for Krebs cycle in eukaryotes and serves as a carbon source for some bacteria to survive/grow. Available methods for measuring citrate level rely mainly on enzymatic reactions and/or sophisticated instrumentations. This study aimed to develop a novel, simple and rapid assay to quantify citrate in bacterial culture for analysis of citrate consumption. The assay was initially tested with 0.1–25.6 mM citrate in deionized (dI) water or complete M9 medium without/with 0.25 M HCl. Wavelength scan revealed maximum absorption of citrate at λ210 nm with linear calibration curve (R<sup>2</sup> = 0.9997–0.9999) when HCl was added. Among negatively charged chemicals tested, only oxalate interfered with the assay. After 24-h inoculation of <em>Klebsiella pneumoniae</em> (the known citrate-utilizing bacterium) in (20 mM) citrate-containing complete M9 medium, the remaining citrate significantly decreased (by 22.20±7.13 % consumption). However, a mild decrease was also observed in the sample without bacterial inoculation, suggesting that some components of the complete medium interfered with the assay. It was clearly evidenced that M9 salt, CaCl<sub>2</sub> and/or MgSO<sub>4</sub> were responsible for such interference. Finally, citrate at low concentrations (0.1–6.4 mM) in M9 medium with CaCl<sub>2</sub> and/or MgSO<sub>4</sub> provided the linear calibration curve (R<sup>2</sup> = 0.9451–0.9986). At 5 mM, citrate consumption by <em>K. pneumoniae</em> after 24-h culture was 46.88±0.47 %. In summary, we have successfully developed a novel, simple and rapid method for measuring citrate level in bacterial culture. It will be very useful for measuring citrate consumption by typical and atypical citrate-utilizing bacteria for classification, mechanistic and pathophysiologic studies.</div></div>","PeriodicalId":436,"journal":{"name":"Talanta Open","volume":"10 ","pages":"Article 100360"},"PeriodicalIF":4.1,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142358689","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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Talanta Open
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