Journal of separation science最新文献_第8页

Hydrophilic materials based on hydrogel polymers for enrichment of glycopeptides from serum of colorectal cancer patients 基于水凝胶聚合物的亲水材料，用于从结直肠癌患者血清中富集糖肽。

IF 2.8 3区工程技术

Journal of separation science Pub Date : 2024-08-20 DOI: 10.1002/jssc.202400310

Xiqian Zhang, Danni Wang, Jiahui Shao, Haijiao Mao, Chuan-Fan Ding, Yinghua Yan

{"title":"Hydrophilic materials based on hydrogel polymers for enrichment of glycopeptides from serum of colorectal cancer patients","authors":"Xiqian Zhang, Danni Wang, Jiahui Shao, Haijiao Mao, Chuan-Fan Ding, Yinghua Yan","doi":"10.1002/jssc.202400310","DOIUrl":"10.1002/jssc.202400310","url":null,"abstract":"In this work, a composite hydrogel material consisting of chitosan-based composite hydrogel was prepared by a simple and rapid synthetic method and will be named three-dimensional (3D)-IL-COF-1@CS hydrogel. Possessing a stable 3D network structure and outstanding hydrophilicity, the novel hydrogel is capable of capturing glycopeptides. The 3D-IL-COF-1@CS hydrogel showed good sensitivity (0.1 fmol/µL) and selectivity (1:2000). In addition, 19 glycopeptides were captured in standard samples. In the analysis of human serum, 148 glycopeptides assigned to 72 glycoproteins were assayed in the serum of normal individuals, and 245 glycopeptides corresponding to 100 glycoproteins were found in the serum of colorectal cancer (CRC) patients. More importantly, several functional programs based on Gene Ontology analysis supported molecular biological processes that may be relevant to the pathogenesis of CRC, including aging, fibrinogen complex, and arylesterase activity. The low cost, simplicity, rapid synthesis, and good enrichment performance have a great future in glycoproteomics analysis and related diseases.","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"47 16","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142009008","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Feature-based molecular networking with MS2LDA to profile compounds in Lanbuzheng based on ultra-high-performance liquid chromatography-quadrupole Exactive Orbitrap high-resolution mass spectrometry 基于超高效液相色谱-四极杆Exactive Orbitrap高分辨质谱的MS2LDA特征分子网络分析兰菌净中的化合物。

IF 2.8 3区工程技术

Journal of separation science Pub Date : 2024-08-20 DOI: 10.1002/jssc.202400248

Xixian Kong, Guanghuan Tian, Tong Wu, Shaowei Hu, Jie Zhao, Fuzhu Pan, JingTong Liu, Yi OuYang, Liying Tang, Hongwei Wu

{"title":"Feature-based molecular networking with MS2LDA to profile compounds in Lanbuzheng based on ultra-high-performance liquid chromatography-quadrupole Exactive Orbitrap high-resolution mass spectrometry","authors":"Xixian Kong, Guanghuan Tian, Tong Wu, Shaowei Hu, Jie Zhao, Fuzhu Pan, JingTong Liu, Yi OuYang, Liying Tang, Hongwei Wu","doi":"10.1002/jssc.202400248","DOIUrl":"10.1002/jssc.202400248","url":null,"abstract":"Lanbuzheng (Geum japonicum Thunb. var. chinense Bolle), a plant found in Southwest China, is a traditional Chinese medicine that promotes hematopoiesis and antioxidant functions. Many of its chemical constituents remain unknown, posing challenges both to understanding its pharmacological mechanisms and to conducting quality control research. In this work, ultra-high performance liquid chromatography coupled with quadrupole Exactive Orbitrap high-resolution mass spectroscopy was used for profiling the composition of Lanbuzheng. Using positive ion mass spectrometry data enriched from Lanbuzheng extract, feature-based molecular networking (FBMN) was constructed and associated with Mass2Motifs substructures using MS2LDA. Prediction and validation of unknown constituents of Lanbuzheng using a custom-built compound library, SIRIUS, and network annotation propagation, achieved a semi-automated annotation of the molecular network. Based on the custom-built library comprising 206 compounds and the FBMN clustering results, the constituents in Lanbuzheng primarily include tannins, triterpenes, flavonoids, and phenolics. Using only 65 pre-identified compounds as references, 210 unknown compounds were annotated in various polarity regions of Lanbuzheng. Results of the current work indicate that molecular networks enable the efficient annotation of compounds in complex systems, laying the groundwork for the preliminary identification of pharmacologically active constituents of Lanbuzheng.","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"47 16","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142009007","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Advances in the selection of functional monomers for molecularly imprinted polymers: A review 分子印迹聚合物功能单体选择方面的进展：综述。

IF 2.8 3区工程技术

Journal of separation science Pub Date : 2024-08-20 DOI: 10.1002/jssc.202400353

Jiaqi Niu, Min Du, Wanqing Wu, Jianlei Yang, Qing Chen

{"title":"Advances in the selection of functional monomers for molecularly imprinted polymers: A review","authors":"Jiaqi Niu, Min Du, Wanqing Wu, Jianlei Yang, Qing Chen","doi":"10.1002/jssc.202400353","DOIUrl":"10.1002/jssc.202400353","url":null,"abstract":"Molecularly imprinted polymers, a type of special polymer materials, are widely used in biosensing and other fields due to their ability to specifically recognize target molecules, often called “artificial receptors.”. Nowadays, researchers are constantly exploring new design and synthesis methods for molecularly imprinted materials to improve the selectivity and sensitivity of molecularly imprinted materials. Among them, the selection of functional monomers has attracted great attention. This review comprehensively analyzes and discusses the selection methods of functional monomers. The most commonly used functional monomers among different types of templates are screened based on the structural properties of the template molecules, including the selection of functional monomers among ion-imprinted polymers, protein-imprinted polymers, and bacterial imprinted polymers. The rich binding sites and functional group types of multifunctional monomers are also highlighted to advance the development of molecular imprinting technology. The article further explores the current challenges and prospects in the selection of functional monomers and emphasizes multiplex experiments and computer simulations as important directions for future research. This review provides comprehensive information and constructive guidelines for researchers in selecting functional monomers in areas such as analytical chemistry and biosensors.","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"47 16","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142009005","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Analysis of nitrogen-containing rocket fuel transformation products in loamy soil by thermal desorption gas chromatography-tandem mass spectrometry 利用热脱附气相色谱-串联质谱法分析壤土中的含氮火箭燃料转化产物。

IF 2.8 3区工程技术

Journal of separation science Pub Date : 2024-08-15 DOI: 10.1002/jssc.202400383

Mark S. Popov, Dmitry S. Kosyakov, Nikolay V. Ul'yanovskii

{"title":"Analysis of nitrogen-containing rocket fuel transformation products in loamy soil by thermal desorption gas chromatography-tandem mass spectrometry","authors":"Mark S. Popov, Dmitry S. Kosyakov, Nikolay V. Ul'yanovskii","doi":"10.1002/jssc.202400383","DOIUrl":"10.1002/jssc.202400383","url":null,"abstract":"Unsymmetrical dimethylhydrazine (UDMH) based rocket fuel, when released into the soil, undergoes oxidative transformations to form a variety of toxic nitrogen-containing products (TPs). Loamy soils containing aluminosilicates (clay) are capable of strong binding and retention of UDMH TPs due to a combination of polar sorption and cation-exchange properties, posing challenges for their extraction and quantification. To overcome this problem, the present study proposes direct thermal desorption (TD) of analytes from loam facilitated by the addition of modifiers competing with UDMH TPs for sorption centers and ensuring their conversion into molecular form. Among tested additives, the mixture of potassium chloride and hydroxide demonstrated the best performance and provided recoveries of the most UDMH TPs exceeding 70% under optimized TD conditions (200°C, 30 min). The online combination of TD with gas chromatography-tandem mass spectrometry allowed for the development of a method for the determination of 15 UDMH TPs in loamy soils with limits of detection in the range of 0.2–15 µg/kg. The use of matrix-matched calibration and deuterated internal standards ensured high accuracy (80%–100%) and precision (relative standard deviation < 18%) of the analysis. The developed method was validated and successfully tested in the analyses of real loamy soil samples polluted with rocket fuel.","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"47 16","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-08-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141988253","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Macroporous polymeric resin for the purification of flavonoids from medicinal plants: A review 从药用植物中提纯黄酮类化合物的大孔聚合树脂：综述。

IF 2.8 3区工程技术

Journal of separation science Pub Date : 2024-08-12 DOI: 10.1002/jssc.202400372

Raghad Yousef Ali Aljawarneh, Mohamad Shazeli Che Zain, Fauziahanim Zakaria

{"title":"Macroporous polymeric resin for the purification of flavonoids from medicinal plants: A review","authors":"Raghad Yousef Ali Aljawarneh, Mohamad Shazeli Che Zain, Fauziahanim Zakaria","doi":"10.1002/jssc.202400372","DOIUrl":"10.1002/jssc.202400372","url":null,"abstract":"The purification of flavonoids using the macroporous polymer resin method has gained attention in recent years due to its simplicity, precision, cost-effectiveness, and the ability to separate flavonoids from other constituents. Several studies have been conducted to investigate the efficiency and effectiveness of macroporous polymer resin in purifying flavonoids from various plant sources. This review aims to evaluate the existing literature on macroporous polymer resin purification of flavonoids and provide a comprehensive analysis of the current research trends and advancements in this field. It also highlights the importance of optimizing the adsorption parameters and conditions such as resin type, resin concentration, pH, and temperature for efficient purification of flavonoids using macroporous polymer resin. The key findings of this review reveal that macroporous resins with weak polarity, large surface areas, and pore diameters have a stronger adsorption capacity for flavonoids compared to polar resins. Furthermore, ultrasonic-solvent assisted extraction often combines with macroporous resin for effective the extraction and purification of flavonoids.","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"47 15","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141971344","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Multiclass and multi-residue determination of pesticides and antibiotics in sediment from an aquacultural environment based on modified dispersive solid-phase extraction 基于改良分散固相萃取技术的水产养殖环境沉积物中农药和抗生素的多类别和多残留测定。

IF 2.8 3区工程技术

Journal of separation science Pub Date : 2024-08-12 DOI: 10.1002/jssc.202400110

Zhuozhen Qian, Shuifen Tang, Zhiyu Liu, Fangfang Luo, Yanting Chen, Shaohong Wei

{"title":"Multiclass and multi-residue determination of pesticides and antibiotics in sediment from an aquacultural environment based on modified dispersive solid-phase extraction","authors":"Zhuozhen Qian, Shuifen Tang, Zhiyu Liu, Fangfang Luo, Yanting Chen, Shaohong Wei","doi":"10.1002/jssc.202400110","DOIUrl":"10.1002/jssc.202400110","url":null,"abstract":"A quick, easy, cheap, effective, rugged, and safe method was developed for the multi-residue analysis of pesticides and antibiotics in aquaculture sediment using high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS). The developed method is based on ultrasonic extraction with acetonitrile and phosphate buffer, salting with sodium chloride, and cleaning with dispersive solid-phase extraction adsorbent using primary secondary amine, C18, and graphitized carbon black, followed by HPLC-MS/MS detection. We optimized different extraction methods and the ratio of the cleanup adsorbents to achieve good recoveries at three spiking levels that ranged from 60.4% to 114% with a relative standard deviation below 15% (n = 6). For all analytes, except for flufenoxuron, the limits of quantification were between 1 and 5 µg/kg (dry weight). The validated method was successfully applied to real samples collected from 20 aquacultural ponds, confirming the feasibility of the proposed method. The concentrations of the target analytes in the sediments (dry weight) were in the ranges of 2.2–35.0 µg/kg for sulfonamides, 0–409.1 µg/kg for quinolones, 0–6.56 µg/kg for macrolides, and 0–4.9 µg/kg for pesticides. Moreover, the co-occurrence of pesticides and antibiotics may potentially pose a high risk to sediment-dwelling organisms in nine out of the 20 investigated locations.","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"47 15","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141971345","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Comprehensive review of combustion ion chromatography for the analysis of total, adsorbable, and extractable organic fluorine 用于分析总氟、可吸附氟和可萃取有机氟的燃烧离子色谱法综述。

IF 2.8 3区工程技术

Journal of separation science Pub Date : 2024-08-12 DOI: 10.1002/jssc.202400235

Charles Phillip Shelor, Cable Warren, Chimauchem V. Odinaka, Kalpana Dumre

{"title":"Comprehensive review of combustion ion chromatography for the analysis of total, adsorbable, and extractable organic fluorine","authors":"Charles Phillip Shelor, Cable Warren, Chimauchem V. Odinaka, Kalpana Dumre","doi":"10.1002/jssc.202400235","DOIUrl":"10.1002/jssc.202400235","url":null,"abstract":"Poly- and perfluoroalkyl substances (PFAS) are a class of persistent organic pollutants whose high stability and appreciable water solubility have led to near-global contamination. PFAS are bioaccumulative toxins that have been linked to a myriad of disorders and have been detected nearly universally in human blood. Liquid chromatography-tandem mass spectrometry is the most frequent method used for quantitation, though this typically only measures a few dozen of the >14 000 known PFAS and has been shown to account for a small portion of the total organic fluorine present. Sum parameter methods such as total, extractable, and adsorbable organic fluorine have emerged as alternative measurements for PFAS determination. Combustion ion chromatography has become the preferred method for organofluorine measurement where the sorbent or extract containing PFAS is combusted and the emitted hydrofluoric acid (HF) is a measure of the cumulative organofluorine present. Herein we critically review the types of organofluorine measurement, their separation from the sample matrix, and key parameters of the analytical instrument that affect sensitivity, reproducibility, and recovery with regards to PFAS analysis.","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"47 15","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141971343","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Recent progress of porous cage materials in sample preparation, chromatographic separation, and detection 多孔笼材料在样品制备、色谱分离和检测方面的最新进展。

IF 2.8 3区工程技术

Journal of separation science Pub Date : 2024-08-09 DOI: 10.1002/jssc.202400415

Hongzhi Hu, Ling Xia, Gongke Li, Yi Chen

{"title":"Recent progress of porous cage materials in sample preparation, chromatographic separation, and detection","authors":"Hongzhi Hu, Ling Xia, Gongke Li, Yi Chen","doi":"10.1002/jssc.202400415","DOIUrl":"10.1002/jssc.202400415","url":null,"abstract":"Porous cage materials with certain dimensions, sizes, shapes, and functions have been regarded as promising materials for sample preparation, chromatographic separation, and detection process. In contrast to infinite frameworks such as metal-organic frameworks or covalent organic frameworks, porous cage materials are constructed from discrete molecules containing at least one internal cavity. The well-defined cavities in porous cage materials provide opportunities for non-covalent interactions. These interactions can be programmed into the ligand design or supramolecular cage constructing using the cages as building blocks, offering various host-guest recognition with great selectivity. In this review, we desire to elucidate the fundamental principles governing the design and fabrication of porous cage materials with well-defined cavities, good solvent processability, and modifiable groups, the applications of these porous cage materials in sample preparation, chromatographic separation, and detection were discussed. The recent advantages of porous cage materials for the analysis process were summarized. We state the potential of these materials and provide an outlook for further application strategies. We expect that this review can inspire interest in the porous cage materials research area for analysis.","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"47 15","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141906896","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Room temperature synthesis of a chiral covalent organic framework core-shell composite for high-performance liquid chromatography enantioseparation 用于高效液相色谱对映体分离的手性共价有机框架核壳复合材料的室温合成。

IF 2.8 3区工程技术

Journal of separation science Pub Date : 2024-08-06 DOI: 10.1002/jssc.202400140

Yue Zhang, Yan-Rui Lu, Cheng Liu, An-Xu Ma, Zong-Hong Luo, Hong-Mei Zhou, Jun-Hui Zhang, Bang-Jin Wang, Sheng-Ming Xie, Li-Ming Yuan

{"title":"Room temperature synthesis of a chiral covalent organic framework core-shell composite for high-performance liquid chromatography enantioseparation","authors":"Yue Zhang, Yan-Rui Lu, Cheng Liu, An-Xu Ma, Zong-Hong Luo, Hong-Mei Zhou, Jun-Hui Zhang, Bang-Jin Wang, Sheng-Ming Xie, Li-Ming Yuan","doi":"10.1002/jssc.202400140","DOIUrl":"10.1002/jssc.202400140","url":null,"abstract":"In this article, chiral covalent organic framework core-shell composite CCOF-TpPa-Py@SiO2 was facilely synthesized by induction at room temperature. The CCOF-TpPa-Py@SiO2 core-shell composite was used as a chiral stationary phase for the separation of the racemates by high-performance liquid chromatography, which exhibits good separation performance for chiral compounds including ketones, alcohols, esters, epoxides, carboxylic acids, amides, and amines. The effects of analyte injection mass on the enantioseparation were studied. The reproducibility and stability of the CCOF-TpPa-Py@SiO2 chiral column were explored. The intra-day (n = 5), inter-day (n = 5), and inter-column (n = 3) relative standard deviations for the migration times and resolution of benzoin were 0.32%–0.54%, 0.45%–0.61%, and 1.21%–1.53%, respectively. In addition, the chiral separation ability of the CCOF-TpPa-Py@SiO2 chiral column (column A) was compared with that of the MDI-β-CD-Modified COF@SiO2 (column B) as well as a commercial chiral column (Chiralpak AD-H). The chiral recognition ability of column A is complementary to that of column B and AD-H column. The resolution mechanism of CCOF-TpPa-Py@SiO2 stationary phase towards chiral analyte was explored. Hence, the synthesis of CCOF-TpPa-Py@SiO2 core-shell composite by induction at room temperature as chiral stationary phases for chromatographic separation has important research potential and application prospects.","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"47 15","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-08-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141897670","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Electromembrane extraction of peptides based on charge, hydrophobicity, and size – A large-scale fundamental study of the extraction window 基于电荷、疏水性和大小的多肽电膜萃取--对萃取窗口的大规模基础研究。

IF 2.8 3区工程技术

Journal of separation science Pub Date : 2024-08-02 DOI: 10.1002/jssc.202400292

Torstein Kige Rye, Chien-Yun Lee, Andreas Zellner, Sara Haglund Moen, Samira Dowlatshah, Trine Grønhaug Halvorsen, Stig Pedersen-Bjergaard, Frederik André Hansen

{"title":"Electromembrane extraction of peptides based on charge, hydrophobicity, and size – A large-scale fundamental study of the extraction window","authors":"Torstein Kige Rye, Chien-Yun Lee, Andreas Zellner, Sara Haglund Moen, Samira Dowlatshah, Trine Grønhaug Halvorsen, Stig Pedersen-Bjergaard, Frederik André Hansen","doi":"10.1002/jssc.202400292","DOIUrl":"10.1002/jssc.202400292","url":null,"abstract":"This study investigated the capability of electromembrane extraction (EME) as a general technique for peptides, by extracting complex pools of peptides comprising in total of 5953 different substances, varying in size from seven to 16 amino acids. Electromembrane extraction was conducted from a sample adjusted to pH 3.0 and utilized a liquid membrane consisting of 2-nitrophenyl octyl ether and carvacrol (1:1 w/w), containing 2% (w/w) di(2-ethylhexyl) phosphate. The acceptor phase was 50 mM phosphoric acid (pH 1.8), the extraction time was 45 min, and 10 V was used. High extraction efficiency, defined as a higher peptide signal in the acceptor than the sample after extraction, was achieved for 3706 different peptides. Extraction efficiencies were predominantly influenced by the hydrophobicity of the peptides and their net charge in the sample. Hydrophobic peptides were extracted with a net charge of +1, while hydrophilic peptides were extracted when the net charge was +2 or higher. A computational model based on machine learning was developed to predict the extractability of peptides based on peptide descriptors, including the grand average of hydropathy index and net charge at pH 3.0 (sample pH). This research shows that EME has general applicability for peptides and represents the first steps toward in silico prediction of extraction efficiency.","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"47 15","pages":""},"PeriodicalIF":2.8,"publicationDate":"2024-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jssc.202400292","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141875190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0