Analytical and Bioanalytical Chemistry This is an RSS file. You can use it to subscribe to this data in your favourite RSS reader or to display this data on your own website or blog.

Cross-column density functional theory-based quantitative structure-retention relationship model development powered by machine learning
This study evaluates the potential of machine learning (ML) algorithms and quantum mechanical (QM) descriptors to develop QSRR models that can predict retention times across three different reversed-phase HPLC columns under varying conditions. Four machine learning methods-partial least squares (PLS) regression, ridge regression (RR), random forest (RF), and gradient boosting (GB)-were compared on a dataset of 360 retention times for 15 aromatic analytes. Molecular descriptors were calculated using density functional theory (DFT). Column characteristics like particle size and pore size and experimental conditions like temp...
Source: Analytical and Bioanalytical Chemistry - March 20, 2024 Category: Chemistry Authors: Sargol Mazraedoost Petar Žuvela Szymon Ulenberg Tomasz B ączek J Jay Liu Source Type: research

Simultaneous identification of three emergent stimulant laxative adulterants in slimming foods using only one antibody
Anal Bioanal Chem. 2024 Mar 19. doi: 10.1007/s00216-024-05246-4. Online ahead of print.ABSTRACTStimulant laxatives were recently found to be abused in slimming foods, resulting in harmful effects on consumers. To ensure the safety of relative products, sensitive yet multiplex immunoassays are crucial in rapid screening of stimulant laxatives. However, there are few immunoassays for these substances, and even less for broad-specific recognition. Thus, in this work, four theoretically promising haptens of emerging stimulant laxative bisacodyl were rationally designed using molecular modeling and synthesized to immune animals...
Source: Analytical and Bioanalytical Chemistry - March 19, 2024 Category: Chemistry Authors: Tian Guan Sha Chen Yanhong Chen Yu Wang Xiaoqin Yu Xinan Huang Qing Liu Hongtao Lei Qunhua Yang Source Type: research

Development of alkaline phosphatase-linked single-chain variable fragment fusion proteins for one-step immunodetection of deoxynivalenol in cereals
In this study, a bifunctional single-chain variable fragment (scFv) linked alkaline phosphatase (ALP) fusion protein was developed for rapid and sensitive detection of deoxynivalenol (DON). The scFv gene was chemically synthesized and cloned into the expression vector pET25b containing the ALP gene by homologous recombination. The prokaryotic expression, purification, and activity analysis of fusion proteins (scFv-ALP and ALP-scFv) were well characterized and performed. The interactions between scFv and DON were investigated by computer-assisted simulation, which included hydrogen bonds, hydrophobic interactions, and van d...
Source: Analytical and Bioanalytical Chemistry - March 16, 2024 Category: Chemistry Authors: Li Wen Yirui Huang Zhichang Sun Shiyuan Shi Xiaoxia Xie Zhenyun He Xing Liu Source Type: research

Electron-activated dissociation (EAD) for the complementary annotation of metabolites and lipids through data-dependent acquisition analysis and feature-based molecular networking, applied to the sentinel amphipod Gammarus fossarum
In this study, we apply the performances of data-dependent acquisition mass spectrometry (DDA-MS) under CID and EAD fragmentation along with FBMN construction, to perform extensive compound annotation in the crude extracts of the freshwater sentinel organism Gammarus fossarum. We discuss the analytical aspects of the use of the two fragmentation modes, perform a general comparison of the information delivered, and compare the CID and EAD fragmentation pathways for specific classes of compounds, including previously unstudied species. In addition, we discuss the potential use of FBMN constructed with EAD fragmentation spect...
Source: Analytical and Bioanalytical Chemistry - March 16, 2024 Category: Chemistry Authors: Valentina Calabrese Thomas Alexandre Brunet Davide Degli-Esposti Arnaud Chaumot Olivier Geffard Arnaud Salvador Yohann Cl ément Sophie Ayciriex Source Type: research

Elemental mass spectrometry for bioanalysis
Anal Bioanal Chem. 2024 Mar 16. doi: 10.1007/s00216-024-05238-4. Online ahead of print.NO ABSTRACTPMID:38492025 | DOI:10.1007/s00216-024-05238-4 (Source: Analytical and Bioanalytical Chemistry)
Source: Analytical and Bioanalytical Chemistry - March 16, 2024 Category: Chemistry Authors: J örg Bettmer Mario Corte-Rodr íguez Marcia Foster Mesko Source Type: research

Advances in the application of logic gates in nanozymes
Anal Bioanal Chem. 2024 Mar 15. doi: 10.1007/s00216-024-05240-w. Online ahead of print.ABSTRACTNanozymes are a class of nanomaterials with biocatalytic function and enzyme-like activity, whose advantages include high stability, low cost, and mass production. They can catalyze the substrates of natural enzymes based on specific nanostructures and serve as substitutes for natural enzymes. Their applied research involves a wide range of fields such as biomedicine, environmental governance, agriculture, and food. Molecular logic gates are a new cross-disciplinary discipline, which can simulate the function of silicon circuits ...
Source: Analytical and Bioanalytical Chemistry - March 15, 2024 Category: Chemistry Authors: Xiangru Hou Lu Ga Xin Zhang Jun Ai Source Type: research

Towards clinical adherence monitoring of oral endocrine breast cancer therapies by LC-HRMS-method development, validation, comparison of four sample matrices, and proof of concept
Anal Bioanal Chem. 2024 Mar 15. doi: 10.1007/s00216-024-05244-6. Online ahead of print.ABSTRACTOral endocrine therapies (OET) for breast cancer treatment need to be taken over a long period of time and are associated with considerable side effects. Therefore, adherence to OET is an important issue and of high clinical significance for breast cancer patients' caregivers. We hypothesized that a new bioanalytical strategy based on liquid chromatography and high-resolution mass spectrometry might be suitable for unbiased adherence monitoring (AM) of OET. Four different biomatrices (plasma, urine, finger prick blood by volumetr...
Source: Analytical and Bioanalytical Chemistry - March 15, 2024 Category: Chemistry Authors: Cathy M Jacobs Julia C Radosa Lea Wagmann Julia S M Zimmermann Askin C Kaya Aylin Ayg ün Tatjana Edel Lisa Stotz Mohamed Ismaeil Erich-Franz Solomayer Markus R Meyer Source Type: research

The 2023 Nobel Prize in Chemistry: Quantum dots
Anal Bioanal Chem. 2024 Mar 13. doi: 10.1007/s00216-024-05225-9. Online ahead of print.ABSTRACTThe 2023 Nobel Prize in Chemistry was awarded to Aleksey I. Ekimov (prize share 1/3), Louis E. Brus (prize share 1/3), and Moungi G. Bawendi (prize share 1/3) for groundbreaking inventions in the field of nanotechnology, i.e., for the discovery and synthesis of semiconductor nanocrystals, also termed quantum dots, that exhibit size-dependent physicochemical properties enabled by quantum size effects. This feature article summarizes the main milestones of the discoveries and developments of quantum dots that paved the road to thei...
Source: Analytical and Bioanalytical Chemistry - March 13, 2024 Category: Chemistry Authors: K David Wegner Ute Resch-Genger Source Type: research