Advances in Sample Preparation最新文献

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Combining microwave and ultraviolet energy for sample preparation of polymer-based materials for further halogen determination 结合微波和紫外线能量制备聚合物基材料,进一步测定卤素
Advances in Sample Preparation Pub Date : 2022-10-01 DOI: 10.1016/j.sampre.2022.100038
Alice P. Holkem , Gabrielle D. Iop , Gustavo R. Bitencourt , Erico M.M. Flores , Márcia F. Mesko , Paola A. Mello
{"title":"Combining microwave and ultraviolet energy for sample preparation of polymer-based materials for further halogen determination","authors":"Alice P. Holkem ,&nbsp;Gabrielle D. Iop ,&nbsp;Gustavo R. Bitencourt ,&nbsp;Erico M.M. Flores ,&nbsp;Márcia F. Mesko ,&nbsp;Paola A. Mello","doi":"10.1016/j.sampre.2022.100038","DOIUrl":"10.1016/j.sampre.2022.100038","url":null,"abstract":"<div><p>In this work, a microwave-assisted ultraviolet wet digestion (MAWD-UV) protocol was used to digest polymer-based materials (e-waste, food packing, medical-care materials, and individual protection equipment) for further halogen determination. Digests were suitable for Cl, Br, and I determination by inductively coupled plasma mass spectrometry (ICP-MS) or inductively coupled plasma optical emission spectrometry (ICP-OES). Fluorine determination was performed with ion selective electrode (ISE). The power radiation and the digestion solution were evaluated. The accuracy was evaluated by comparing the results with those obtained after neutron activation analysis (NAA) for Cl and Br or using microwave-induced combustion (MIC) as sample preparation for F and I. Two certified reference materials (CRM) of low-density polyethylene (ERM EC680k and EC681k) were evaluated, and no differences were observed (<em>t</em>-test, 95% confidence level) between the results and the certified values. Quantitative recoveries for Cl, Br, and I were obtained using 200 mg of the sample using diluted acid solution (15 mL of 0.5 mol L<sup>−1</sup> HNO<sub>3</sub> plus 10.6 mol L<sup>−1</sup> of H<sub>2</sub>O<sub>2</sub>), with a 40 min radiation program (700 W, 25 min ramp). No statistical differences (ANOVA, 95% confidence level) were observed between the MAWD-UV and ICP-MS results and the reference values for Cl, Br, and I for several samples. However, results were lower than the reference values for fluorine, indicating that digestion efficiency was poor for this analyte, which was probably as an organic molecule (likely polytetrafluoroethylene). The limit of quantification (LOQ) was 0.216 mg g<sup>−1</sup> for Cl, 3.33 µg g<sup>−1</sup> for Br, and 0.036 µg g<sup>−1</sup> for I using ICP-MS. The main advantage of MAWD-UV is that it enables decomposing several polymer-based matrices using diluted acid without halogen losses. The developed method represents an important contribution to the digestion of these hard-to-digest matrices and in compliance with green analytical chemistry, thereby being an advance in sample preparation.</p></div>","PeriodicalId":100052,"journal":{"name":"Advances in Sample Preparation","volume":"4 ","pages":"Article 100038"},"PeriodicalIF":0.0,"publicationDate":"2022-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772582022000353/pdfft?md5=9172df7e09c50ff85ea0f156b3553e74&pid=1-s2.0-S2772582022000353-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82265909","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: 1
Purge and trap in-tube colorimetric detection method for the determination of ethanol in alcoholic and non-alcoholic beverages 吹扫和捕集管内比色法测定酒精和非酒精饮料中乙醇的方法
Advances in Sample Preparation Pub Date : 2022-10-01 DOI: 10.1016/j.sampre.2022.100043
Waleed Alahmad , Nuttapat Pianarnupap , Thirawan Banjonglaksamee , Fatima Alabdo , Niluh Indria Wardani , Pakorn Varanusupakul
{"title":"Purge and trap in-tube colorimetric detection method for the determination of ethanol in alcoholic and non-alcoholic beverages","authors":"Waleed Alahmad ,&nbsp;Nuttapat Pianarnupap ,&nbsp;Thirawan Banjonglaksamee ,&nbsp;Fatima Alabdo ,&nbsp;Niluh Indria Wardani ,&nbsp;Pakorn Varanusupakul","doi":"10.1016/j.sampre.2022.100043","DOIUrl":"10.1016/j.sampre.2022.100043","url":null,"abstract":"<div><p>A simple and cost-effective analytical approach based on the combination of purge and trap technique coupling with smartphone-based image analysis was developed for the sensitive detection of ethanol. Herein, the dichromate solution was used as the detection reagent to determine the ethanol concentration in alcoholic beverages. The ethanol from the sample solution was purged by the airstream and then trapped into a 1-mL Eppendorf tube containing the detection reagent. During the process, ethanol is oxidized by dichromate reagent to form ethanoic acid, and the orange color of the dichromate ion is started to become darker after one minute. The color image of the Eppendorf tube was taken by smartphone in a controlled-light box and then analyzed by the laptop ImageJ software. Experimental parameters affecting the method sensitivity, such as extraction time, stirring rate, and dichromate concentration, were studied. Under the optimal conditions, the calibration curve was linear for the ethanol concentrations ranging from 0.15 and 3.0 %v/v (R<sup>2</sup> &gt;0.993). The limit of detection of 0.05 %v/v was obtained. The intra- and inter-assay results (RSD%) were less than 1.0% and 2.0%, respectively. The developed approach has been successfully applied to determine ethanol percentage in beverage samples (alcoholic beer, brandy, and non-alcoholic beer), with relative recoveries ranging from 86-112%. Finally, the accuracy was assessed by comparison of the results obtained by our method and the UV-Vis spectrophotometric method, which agreed at the 95% confidence level.</p></div>","PeriodicalId":100052,"journal":{"name":"Advances in Sample Preparation","volume":"4 ","pages":"Article 100043"},"PeriodicalIF":0.0,"publicationDate":"2022-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772582022000407/pdfft?md5=7de0294674d4bbd0cb0bf8509ab709fb&pid=1-s2.0-S2772582022000407-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77177301","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: 2
The best sample preparation is green sample preparation 最佳的样品制备方法是绿色样品制备
Advances in Sample Preparation Pub Date : 2022-10-01 DOI: 10.1016/j.sampre.2022.100016
Rafael Lucena
{"title":"The best sample preparation is green sample preparation","authors":"Rafael Lucena","doi":"10.1016/j.sampre.2022.100016","DOIUrl":"10.1016/j.sampre.2022.100016","url":null,"abstract":"","PeriodicalId":100052,"journal":{"name":"Advances in Sample Preparation","volume":"4 ","pages":"Article 100016"},"PeriodicalIF":0.0,"publicationDate":"2022-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772582022000134/pdfft?md5=441044bdccc060594c35d5159cdd77f3&pid=1-s2.0-S2772582022000134-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87044327","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: 6
Editorial SI reviews 2022 编辑SI回顾2022年
Advances in Sample Preparation Pub Date : 2022-10-01 DOI: 10.1016/j.sampre.2022.100046
Gangfeng Ouyang, Stig Pedersen-Bjergaard
{"title":"Editorial SI reviews 2022","authors":"Gangfeng Ouyang,&nbsp;Stig Pedersen-Bjergaard","doi":"10.1016/j.sampre.2022.100046","DOIUrl":"10.1016/j.sampre.2022.100046","url":null,"abstract":"","PeriodicalId":100052,"journal":{"name":"Advances in Sample Preparation","volume":"4 ","pages":"Article 100046"},"PeriodicalIF":0.0,"publicationDate":"2022-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772582022000432/pdfft?md5=42d603270e65ac33e0e4f641bb9a53b9&pid=1-s2.0-S2772582022000432-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89003128","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
Dual stir bar sorptive extraction using conventional and solvent-assisted approaches including in-situ derivatization followed by thermal desorption and gas chromatography–tandem mass spectrometry for analysis of polyfunctional thiols in white wine samples 采用传统和溶剂辅助的双搅拌棒吸附萃取方法,包括原位衍生化,热解吸和气相色谱-串联质谱法分析白葡萄酒样品中的多官能团硫醇
Advances in Sample Preparation Pub Date : 2022-08-01 DOI: 10.1016/j.sampre.2022.100034
Nobuo Ochiai , Kikuo Sasamoto , Frank David , Pat Sandra
{"title":"Dual stir bar sorptive extraction using conventional and solvent-assisted approaches including in-situ derivatization followed by thermal desorption and gas chromatography–tandem mass spectrometry for analysis of polyfunctional thiols in white wine samples","authors":"Nobuo Ochiai ,&nbsp;Kikuo Sasamoto ,&nbsp;Frank David ,&nbsp;Pat Sandra","doi":"10.1016/j.sampre.2022.100034","DOIUrl":"10.1016/j.sampre.2022.100034","url":null,"abstract":"<div><p>A new method, based on the combination of two sorptive extraction methods, namely stir bar sorptive extraction (SBSE) and solvent-assisted stir bar sorptive extraction (SA-SBSE), was developed for the quantitative determination of ultra-trace levels of polyfunctional thiols in white wine. Extraction of 4-methyl-4-sulfanyl-pentan-2-one (4-MSP), 3-sulfanylhexan-1-ol (3-SH) and 2-furylmethanethiol (2-FMT) is performed by SA-SBSE combined with <em>in-situ</em> derivatization using ethylpropiolate (ETP), while 3-sulfanylhexyl acetate (3-SHA) is simultaneously extracted in parallel using SBSE, without derivatization. Analysis is performed by thermal desorption in combination with GC-MS/MS operated in selected reaction monitoring (SRM) mode. All <em>four</em> target solutes could be detected in a single GC-MS/MS run at levels below the odor detection threshold (ODT) of the solutes (LODs: 0.20 ng/L for 4-MSP, 2.8 ng/L for 3-SH, 0.27 ng/L for 3-SHA and 0.11 ng/L for 2-FMT). The method could be successfully applied to a set of white wine samples, showing significant differences in polyfunctional thiol concentrations between samples.</p></div>","PeriodicalId":100052,"journal":{"name":"Advances in Sample Preparation","volume":"3 ","pages":"Article 100034"},"PeriodicalIF":0.0,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772582022000316/pdfft?md5=1f41df1bb0c1d35c1ede1bce073bcb9b&pid=1-s2.0-S2772582022000316-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82254556","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: 2
Fabric Phase Sorptive Extraction (FPSE) as an efficient sample preparation platform for the extraction of antidepressant drugs from biological fluids 织物相吸附萃取(FPSE)作为一种高效的样品制备平台,从生物体液中提取抗抑郁药物
Advances in Sample Preparation Pub Date : 2022-08-01 DOI: 10.1016/j.sampre.2022.100022
A. Tartaglia , S. Covone , E. Rosato , M. Bonelli , F. Savini , K.G. Furton , I. Gazioglu , C. D'Ovidio , A. Kabir , M. Locatelli
{"title":"Fabric Phase Sorptive Extraction (FPSE) as an efficient sample preparation platform for the extraction of antidepressant drugs from biological fluids","authors":"A. Tartaglia ,&nbsp;S. Covone ,&nbsp;E. Rosato ,&nbsp;M. Bonelli ,&nbsp;F. Savini ,&nbsp;K.G. Furton ,&nbsp;I. Gazioglu ,&nbsp;C. D'Ovidio ,&nbsp;A. Kabir ,&nbsp;M. Locatelli","doi":"10.1016/j.sampre.2022.100022","DOIUrl":"10.1016/j.sampre.2022.100022","url":null,"abstract":"<div><p>The quantification and interpretation of drug concentrations in biological matrices to optimize pharmacotherapy and to perform the therapeutic drug monitoring (TDM) is particularly important for compounds with narrow therapeutic ranges, known to cause adverse effects. In these cases, the biomonitoring is essential to avoid the toxicity and side effects. In this study, an innovative Fabric Phase Sorptive Extraction (FPSE) followed by high performance liquid chromatography-photodiode array detection (FPSE–HPLC–PDA) method was optimized and validated for the extraction and quantitative evaluation of seven antidepressant drugs (ADs, venlafaxine, citalopram, paroxetine, fluoxetine, sertraline, amitriptyline, and clomipramine) in human whole blood, urine, and saliva samples.</p><p>The best chromatographic separation was obtained using a reverse phase column and ammonium acetate (50 mM, pH 5.5) and acetonitrile (AcN) as mobile phases, with 0.3% of triethylamine (TEA) for the best peak shape. The used sample preparation technique, FPSE, developed in 2014, has offered numerous advantages such as low consumption of organic solvents, no sample pretreatment, and reduced overall sample preparation time. Among all tested membranes, sol-gel carbowax (CW 20 M) sorbent, coated on cellulose FPSE media, was the most efficient. The developed method provides satisfactory limit of detection of 0.06 μg/mL for all analytes except for venlafaxine that was 0.04 μg/mL. Both RSD% and BIAS% gave values below ±15%, according to current guidelines. Finally, real samples analyzes were carried out, comparing the obtained data with the anamnestic data of the subjects, confirmed the validity of the method.</p></div>","PeriodicalId":100052,"journal":{"name":"Advances in Sample Preparation","volume":"3 ","pages":"Article 100022"},"PeriodicalIF":0.0,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772582022000195/pdfft?md5=5eaa85d74d33c0ab4e3372c1391844a5&pid=1-s2.0-S2772582022000195-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85313826","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: 10
Solid phase microextraction for human breath analysis of environmental and occupational exposures: A review 固相微萃取法用于人体呼吸环境和职业暴露分析:综述
Advances in Sample Preparation Pub Date : 2022-08-01 DOI: 10.1016/j.sampre.2022.100023
Zi-Cheng Yuan , Ying Zhang , Shen-Hui Cai , Weini Chen , Bin Hu
{"title":"Solid phase microextraction for human breath analysis of environmental and occupational exposures: A review","authors":"Zi-Cheng Yuan ,&nbsp;Ying Zhang ,&nbsp;Shen-Hui Cai ,&nbsp;Weini Chen ,&nbsp;Bin Hu","doi":"10.1016/j.sampre.2022.100023","DOIUrl":"10.1016/j.sampre.2022.100023","url":null,"abstract":"<div><p>Human exhaled breath contains various molecules that relate to human health and environmental exposures. There has been increasing interest in human breath analysis for exposure monitoring. This review focuses on the utilization of solid phase microextraction (SPME) for breath analysis of environmental and occupational exposures. Breath analysis of different types of exposures are summarized. The developments of SPME methods for breath analysis are highlighted. The limitations of the current studies and the prospects of breath analysis in exposure monitoring are discussed.</p></div>","PeriodicalId":100052,"journal":{"name":"Advances in Sample Preparation","volume":"3 ","pages":"Article 100023"},"PeriodicalIF":0.0,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772582022000201/pdfft?md5=80966a580c42fb85576519b318b5789d&pid=1-s2.0-S2772582022000201-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84883959","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: 8
Headspace solid-phase microextraction: Fundamentals and recent advances 顶空固相微萃取:基本原理和最新进展
Advances in Sample Preparation Pub Date : 2022-08-01 DOI: 10.1016/j.sampre.2022.100035
Carlina Lancioni , Cecilia Castells , Roberto Candal , Marcos Tascon
{"title":"Headspace solid-phase microextraction: Fundamentals and recent advances","authors":"Carlina Lancioni ,&nbsp;Cecilia Castells ,&nbsp;Roberto Candal ,&nbsp;Marcos Tascon","doi":"10.1016/j.sampre.2022.100035","DOIUrl":"10.1016/j.sampre.2022.100035","url":null,"abstract":"<div><p>Solid-phase microextraction (SPME) has become a powerful sample preparation technique which allows to efficiently isolate and enrich analytes from complex matrixes. One of the most widespread SPME modes, consists of the extraction directly from the headspace (HS) which is equilibrated with the sample. In this sense, HS-SPME provides one of the best platforms for sample preparation, especially for the analysis of volatile and semi-volatile organic compounds. Furthermore, this technique has demonstrated to be versatile, sensitive, robust, and environmentally friendly when applied to samples coming from a diverse variety of fields such as bioanalysis, environmental sciences, food and cultural heritage. Moreover, during last years, the implementation of HS-SPME has dramatically grown along with the need to monitor complex systems over time using <em>in situ</em> and <em>in vivo</em> approaches, taking advantage of its noninvasive nature. In this review article, the authors present the fundamentals of this technique aiming to critically understand its advantages and limitations, highlighting the recent advances published in the last ten years. To this aim, special sections dealing with extractive phase development, technological advances and relevant applications in different fields have been carefully designed. Finally, some thoughts and perspectives about the future of the technique are also discussed.</p></div>","PeriodicalId":100052,"journal":{"name":"Advances in Sample Preparation","volume":"3 ","pages":"Article 100035"},"PeriodicalIF":0.0,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772582022000328/pdfft?md5=148e4d8a2600e37e20743b4088f01f40&pid=1-s2.0-S2772582022000328-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85726672","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: 15
In-tube gel electro-membrane combined with microfluidic paper-based device: A green and miniaturized extraction mode for the chromium speciation 管内凝胶电膜结合微流控纸基装置:一种绿色、小型化的铬形态提取模式
Advances in Sample Preparation Pub Date : 2022-08-01 DOI: 10.1016/j.sampre.2022.100036
Hadi Tabani , Thidarat Samkumpim , Waleed Alahmad , Farzaneh Dorabadizare , Pakorn Varanusupakul
{"title":"In-tube gel electro-membrane combined with microfluidic paper-based device: A green and miniaturized extraction mode for the chromium speciation","authors":"Hadi Tabani ,&nbsp;Thidarat Samkumpim ,&nbsp;Waleed Alahmad ,&nbsp;Farzaneh Dorabadizare ,&nbsp;Pakorn Varanusupakul","doi":"10.1016/j.sampre.2022.100036","DOIUrl":"10.1016/j.sampre.2022.100036","url":null,"abstract":"<div><p>For the first time, in-tube gel electro-membrane microextraction (IT-G-EME) system followed by microfluidic paper-based analytical devices (µPADs) as a low-cost reading platform was fabricated for the speciation of trivalent chromium (Cr(III)) and hexavalent chromium (Cr(VI)) as model cationic and anionic compounds. In this new miniaturized extraction mode, a transparent narrow-bore polymeric tube was used as housing of the aqueous acceptor phase (AP, 30 µL), while an agarose gel membrane was placed as a micro plug (2.5 mm) at the beginning of the tube. A circular shape vial (1.5 mL, pH 5.5) containing chromium species as donor phase (DP) was connected between two tubes which previously filled with gel membrane and aqueous AP. By applying electric potential, the positively charged Cr(III) and negatively charged Cr(VI) in the DP migrated selectively toward cathodic and anodic tubes, respectively. After extraction, each AP was analyzed by µPAD, which had already been modified with diphenylcarbazide (DPC). Under the optimized extraction conditions, a good limit of detection (LOD) equal to 7.0 µg L<sup>–1</sup> was achieved for both analytes, while the extraction recoveries for Cr(VI) and Cr(III) were 72% and 84%. In addition, the developed approach was used for the quantification of chromium species in water samples.</p></div>","PeriodicalId":100052,"journal":{"name":"Advances in Sample Preparation","volume":"3 ","pages":"Article 100036"},"PeriodicalIF":0.0,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S277258202200033X/pdfft?md5=ac9f4c11be4cbd7b5b39372303dcc076&pid=1-s2.0-S277258202200033X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78145794","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: 9
Modeling headspace solid-phase microextraction of volatile organic compounds from water samples with porous coatings using finite element analysis 利用有限元分析模拟多孔涂层对水样中挥发性有机化合物的顶空固相微萃取
Advances in Sample Preparation Pub Date : 2022-08-01 DOI: 10.1016/j.sampre.2022.100030
Aset Muratuly, Anel Kapar, Bulat Kenessov
{"title":"Modeling headspace solid-phase microextraction of volatile organic compounds from water samples with porous coatings using finite element analysis","authors":"Aset Muratuly,&nbsp;Anel Kapar,&nbsp;Bulat Kenessov","doi":"10.1016/j.sampre.2022.100030","DOIUrl":"10.1016/j.sampre.2022.100030","url":null,"abstract":"<div><p>This research was aimed at the development of the COMSOL Multiphysics® (CMP) model for simulating the headspace (HS) solid-phase microextraction (SPME) of volatile organic compounds (VOCs) from water using Carboxen/polydimethylsiloxane coating at 25 °C. The developed model is mainly based on existing theory and previous research on the numerical modeling of SPME. Fuller method was used to estimate diffusion coefficients in air as well as pores and voids of the coating. Coating-headspace distribution constants were estimated using linear solvation energy relationship (LSER) model and multiple regression obtained by Prikryl and Sevcik. Headspace-water constants were estimated using vapor pressures and activity coefficients were determined using UNIFAC model. Wilke and Chang method was chosen for estimating diffusion coefficients in water without stirring. Liss and Slater, and Southworth approaches were tested for estimating mass transfer coefficients at the headspace-water boundary under stirring. Southworth approach allowed obtaining benzene, toluene, ethylbenzene and <em>o</em>-xylene (BTEX) extraction profiles from water, which were closest to experimental profiles compared to other approaches. When using Southworth approach, root mean square deviation (RMSD) between experimental and simulated values for BTEX were 8.7–10% indicating the high accuracy of the model. The developed model was successfully applied for computational optimization of extraction parameters (stirring speed, fiber insertion depth, pressure, sample volume and the concentration of added salt). After minor modification, the model was also applied for optimization of preincubation time. It can be recommended for optimization of HSSPME-based analytical methods for VOCs quantification in water.</p></div>","PeriodicalId":100052,"journal":{"name":"Advances in Sample Preparation","volume":"3 ","pages":"Article 100030"},"PeriodicalIF":0.0,"publicationDate":"2022-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2772582022000274/pdfft?md5=5e769489827f812271e87920feb3831b&pid=1-s2.0-S2772582022000274-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90327463","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: 1
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