Analytical Chemistry

Last Month

Organic Chemistry

Identification of (+)-7R-Actinidine and its Biosynthetic Pathway in Rove beetles, Cafius spp. (Coleoptera: Staphylinidae)

Yu Takatani, Yuto Ohata, Takato Inoue, Naoki Mori

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Analytical Chemistry

Investigation of the time effect on the nanozyme-mediated oxidation of 3, 3’-diaminobenzidine by hydrogen peroxide

Saeed Reza Hormozi Jangi

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Analytical Chemistry

Unveiling the Power of Negative Ion Mode ESI-MS: Identifying Species with Remarkable Signal Intensity and Collisional Stability

Benjamin Warnes, Jasmine Chihabi, Jeffrey Manthorpe

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Analytical Chemistry

Identification and quantification of fluorinated polymers in consumer products by combustion ion chromatography and pyrolysis-gas chromatography-mass spectrometry

Lisa Skedung, Eleni Savvidou, Steffen Schellenberger, Anders Reimann, Ian Cousins, Jonathan Benskin

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Analytical Chemistry

PFΔScreen – An open-source tool for automated PFAS feature prioritization in non-target HRMS data

Jonathan Zweigle, Boris Bugsel, Joel Fabregat-Palau, Christian Zwiener

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Nanoscience

Bottom-illuminated photothermal nanoscale chemical imaging with a flat silicon ATR in air and liquid

Georg Ramer, Ufuk Yilmaz, Savda Sam, Bernhard Lendl

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Earth, Space, and Environmental Chemistry

Sustainable phosphate removal using Mg/Ca-biochar hybrids: Current trends and future outlooks

Hasara Samaraweera, Kumuduni Niroshika Palansooriya, Pavani Dulanjala Dissanayaka, Afzal Husain Khan, Mika Sillanpää, Todd Mlsna

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Analytical Chemistry

Nonlinear potentiodynamic battery charging protocols for fun, education, and application

Helge Sören Stein

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Analytical Chemistry

A multimodal view at cancerous liver tissue by chemical bioimaging and image segmentation strategies

Katharina Kronenberg, Julia Werner, Marten Seeba, Hennes Rave, Lars Linsen, Katja Steiger, Astrid Jeibmann, Peter Bohrer, Philipp Marius Paprottka, Rickmer Früdd Braren, Fabian Karl Lohöfer, Uwe Karst

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Analytical Chemistry

The Synthesis of Carboxylate Rich Alicyclic Molecules for the Investigation of the Chemical Space of Dissolved Organic Matter

Alexander Craig, Lindon Moodie, Jeffrey Hawkes

111

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Analytical Chemistry

OptiMS: An Accessible Program for Automating Mass Spectrometry Parameter Optimization and Configuration

Peter J. H. Williams, Ian C. Chagunda, J. Scott McIndoe

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Biological and Medicinal Chemistry

Examining DNA Structures with In-droplet Hydrogen/Deuterium Exchange Mass Spectrometry

Kushani Attanayake, Sultan Mahmud, Chandrima Banerjee, Daud Sharif, Mohammad Rahman, Sandra Majuta, Anthony DeBastiani, Mst Nigar Sultana, Samira Hajian Foroushani, Chong Li, Peng Li, Stephen Valentine

284

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Analytical Chemistry

Accurate compositional analysis of unknown polymer systems within ±1 wt% errors via thermogravimetry-synchronized reference-free quantitative mass spectrometry.

Yusuke Hibi, Shiho Uesaka, Masanobu Naito

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Analytical Chemistry

Towards a lab-on-chip sensor: chemiluminescence-based DNA-nanomachine for nucleic acid detection at zeptomolar concentrations

Daria Gorbenko, Pavel Filatov, Maria Rubel, Daler Dadadzhanov, Tigran Vartanyan

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Analytical Chemistry

Ultraviolet Photodissociation and Collision Induced Dissociation for Qualitative/Quantitative Analysis of Low Molecular Weight Compounds by Liquid Chromatography-Mass Spectrometry

Romain Giraud, J.C. Yves Le Blanc, Mircea Guna, Gérard Hopfgartner

118

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Analytical Chemistry

Low viscosity, high concentration pyridinium anolytes for organic non-aqueous redox flow batteries

Sharmila Samaroo, Annabelle Pattillo, Dominik Servinski, William Kruper, Davarius Carter, Thomas Guarr, David Hickey

102

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Analytical Chemistry

Implementation of SPME and Rapid GC-MS as a Screening Approach for Forensic Fire Debris Applications

Briana Capistran

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Organic Chemistry

Mechanistic rationale for ketene formation during vaping

Kaelas Munger, Killian Anreise, Robert Jensen, David Peyton, Robert Strongin

159

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Biological and Medicinal Chemistry

Mixed light photoperiod and biocide pollution affect lipid profiles of periphyton communities in freshwater ecosystems

Nicolas Mazzella, Romain Vrba, Aurélie Moreira, Nicolas Creusot, Mélissa Eon, Débora Millan-Navarro, Isabelle Lavoie, Soizic Morin

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Earth, Space, and Environmental Chemistry

Inhalation of climbing shoe particles is highly relevant for the human exposure to rubber-derived chemicals in indoor facilities

Anya Sherman, Thibault Masset, Lukas Wimmer, Lea Ann Dailey, Thorsten Hüffer, Florian Breider, Thilo Hofmann

118

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Biological and Medicinal Chemistry

Click, Lock & Dye: a chromogenic handle for selective cysteine modification

Yong Hua, Zhi Zou, Alessandro Prescimone, Thomas R. Ward, Marcel Mayor, Valentin Köhler

249

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Analytical Chemistry

Prediction of Protein B-factor Profiles based on Bidirectional Long Short-Term Memory Network

Qianqian Wang, Xiongjie Xiao, Zhiwei Miao, Xu Zhang, Bin Jiang, Maili Liu

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Biological and Medicinal Chemistry

Are unlicensed feline coronavirus antiviral compounds GS-441524 and GC376 what they claim to be? A qualitative and quantitative analysis.

Aidan Mulligan, Megan Browning

104

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Analytical Chemistry

Coupling of phthalocyanines with plasmonic gold nanoparticles by click chemistry for an enhanced singlet oxygen based photoelectrochemical sensing

Shahid Ullah Khan, Refilwe Matshitse, Rituraj Borah, Manjunatha Nemakal, Ekaterina O. Moiseeva, Tatiana Dubinina, Tebello Nyokong, Sammy Verbruggen, Karolien De Wael

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Analytical Chemistry

Comprehensive Mass Spectrometric Metabolomic Profiling of a Chemically Diverse Collection of Plants of the Celastraceae Family

Luis Quiros, Pierre-Marie Allard, Louis-Felix Nothias, Bruno David, Antonio Grondin, Jean-Luc Wolfender

183

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Analytical Chemistry

Isolation of single molecules from complex GCxGC chromatograms

Matyas Ripszam, Tobias Bruderer, Federico Vivaldi, Fabio Di Francesco

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Earth, Space, and Environmental Chemistry

High-speed cryo-microscopy proves that ice-nucleating proteins of Pseudomonas syringae trigger freezing at hydrophobic interfaces

Paul Bieber, Nadine Borduas-Dedekind

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Analytical Chemistry

Extracellular Vesicles lysis: a guide for the release of biomarkers to be used in cancer diagnostics

Sabrina Romanò, Stefano Cinti

108

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Analytical Chemistry

Evaluation of a Bruker timsTOF Pro for Native Mass Spectrometry

Erin Panczyk, Yu-Fu Lin, Dalton Snyder, Fanny Liu, Mark Ridgeway, Mel Park, Christian Bleiholder, Vicki Wysocki

2,503

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Inorganic Chemistry

Synthesis and Characterization of an Iron(II) Bipyridine Redox-Active Polymer

Adolfo I. B. Romo, Joaquin Rodriguez-Lopez

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Analytical Chemistry

Development of HILIC-MS/MS method for acyl-CoAs covering short- to long-chain species in a single analytical run

Madhulika Singh, Ligia Akemi Kiyuna, Christoff Odendaal, Barbara M. Bakker, Amy C Harms, Thomas Hankemeier

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Biological and Medicinal Chemistry

Selective and Biocompatible Detection of Acetylcholine with a Fluorous Potentiometric Laser-Induced Graphene Sensor

Farbod Amirghasemi, Abdulrahman Al-Shami, Kara Ushijima, Maral P. S. Mousavi

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Earth, Space, and Environmental Chemistry

Two-Dimensional Liquid Chromatography Tandem-Mass Spectrometry Untangles the Deep Metabolome of Marine Dissolved Organic Matter

Stilianos Papadopoulos Lambidis, Tilman Schramm, Karoline Steuer-Lodd, Shane Farrell, Paolo Stincone, Robin Schmid, Irina Koester, Ralph Torres, Lihini Aluwihare, Carsten Simon, Daniel Petras

308

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Analytical Chemistry

Collision Induced Unfolding Reveals Disease-Associated Stability Shifts in Mitochondrial tRNAs

Anna Anders, Elizabeth Tidwell, Varun Gadkari, Markos Koutmos, Brandon Ruotolo

141

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Organometallic Chemistry

Selective Arylation of Selenocysteine of Thioredoxin Reductase 1 by an Organogold Compound: Expanding the Tool-Box of Metal-Templated Reactions in Cancer Cells

Lukas Skos, Claudia Schmidt, Sophie Thomas, Mihyun Park, Riccardo Bonsignore, Giorgia Del Favero, Thomas Mohr, Andrea Bileck, Christopher Gerner, Angela Casini, Samuel M. Meier-Menches

166

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Analytical Chemistry

Comparison of nanozymatic behavior of protein-protected gold and SiO2@gold nanoparticles

Saeed Reza Hormozi Jangi

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Theoretical and Computational Chemistry

MS2Mol: A transformer model for illuminating dark chemical space from mass spectra

Thomas Butler, Abraham Frandsen, Rose Lightheart, Brian Bargh, Thomas Kerby, Kiana West, Joseph Davison, James Taylor, Christoph Krettler, TJ Bollerman, Gennady Voronov, Kevin Moon, Tobias Kind, Pieter Dorrestein, August Allen, Viswa Colluru, David Healey

1,756

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Biological and Medicinal Chemistry

Machine learning-based peptide-spectrum match rescoring opens up the immunopeptidome

Charlotte Adams, Kris Laukens, Wout Bittremieux, Kurt Boonen

134

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Analytical Chemistry

SWAMNA: a comprehensive platform for analysis of nucleic acid modifications

Yixuan Xie, Francisca N. De Luna Vitorino, Ye Chen, Joanna K. Lempiäinen, Chenfeng Zhao, Robert T. Steinbock, Xingyu Liu, Zongtao Lin, Emily Zahn, Arabella L. Garcia, Matthew D. Weitzman, Benjamin A. Garcia

192

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Analytical Chemistry

ANALYTICAL DETERMINATION OF CORTISOL USING A FLUORESCENT APTAMER ASSAY

Mia Langgaard Nielsen, Flemming Morsch, Christian Code

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Analytical Chemistry

Detection of Micron-Sized Chemical Droplets Using a Commodity Digital Camera Setup

Hongli Jiang, S. Hessam M. Mehr

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Catalysis

TGA-FTIR Guided Ligand Evaluation for Iron Photocatalyzed Decarboxylative Giese Reactions

Laura K.G. Ackerman-Biegasiewicz, Michael S. Crocker, Jung-Ying Lin, Reem Nsouli, Nathan D. McLaughlin

398

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Analytical Chemistry

Native Mass Spectrometry Dissects the Structural Dynamics of an Allosteric Heterodimer of SARS-CoV-2 Nonstructural Proteins

Stephanie Thibert, Deseree Reid, Jesse Wilson, Rohith Varikoti, Natalia Maltseva, Katherine Schultz, Agustin Kruel, Gyorgy Babnigg, Andrzej Joachimiak, Neeraj Kumar, Mowei Zhou

185

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Analytical Chemistry

Hematocrit-independent sampling enables white blood cell counts from patterned dried blood spot cards

Allison J. Tierney, Kim C. Williamson, V. Ann Stewart, Charles R. Mace

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Analytical Chemistry

Qualitative monitoring of proto-peptide condensation by differential FTIR spectroscopy

Keon Rezaeerod, Hanna Heinzmann, Alexis Torrence, Jui Patel, Jay Forsythe

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Analytical Chemistry

On the utility of the extracted ion chromatograms for assigning the conjugation sites in bioconjugates synthesized by the maleimide-thiol chemistry

Luis Javier González, Satomy Pousa, Pablo E. Ramos, Vladimir Besada, Paulo Carvalho, Louise Kurt, Michel Batista, Rodrigo Soares, Alejandro Leyva, Rosario Durán, Dhayme Murillo, Abel Fajardo, Hilda Elisa Garay, Alina Rodríguez-Mallón, Toshifumi Takao

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Analytical Chemistry

Prediction of Order Parameters based on Protein NMR Structure Ensemble and Machine Learning

Qianqian Wang, Zhiwei Miao, Xiongjie Xiao, Xu Zhang, Bin Jiang, Maili Liu

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Analytical Chemistry

Strategies to enhance figures of merit in ICP-ToF-MS

Thomas Lockwood, Raquel Gonzalez de Vega, Ziqing Du, Lukas Schlatt, Xiaoxue Xu, David Clases

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Biological and Medicinal Chemistry

Fabrication of Porphyrin Based Colorimetric Sensor for the Detection of Liver Cirrhosis Biomarker

Anup Gurung, Rushmika Gurung, Priyanka Kumari, Thinley Bhutia, Promodh Poudyal, Gyaltsen Pradhan

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Analytical Chemistry

Trimethylation enhancement using diazomethane (TrEnDi) enables enhanced detection of glufosinate and 3-(methylphosphinico)propionic acid from complex canola samples

Christian Rosales, Krysten Sheedy, Karl Wasslen, Jeffrey Manthorpe, Jeffrey Smith

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Analytical Chemistry

An In Silico Database for Automated Feature Identification of High-Resolution Tandem Mass Spectrometry 13C Trimethylation Enhancement Using Diazomethane (13CTrEnDi)- Modified Lipid Data

Joshua Roberts, Christian Rosales, Karl Wasslen, Angela Radnoff, Elena Godbout, Jean-Simon Diallo, Jeffrey Manthorpe, Jeffrey Smith

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Analytical Chemistry

Unveiling an unexpected superoxide-mediated photooxidation mechanism of squalene monohydroperoxides to squalene hydroperoxy cyclic peroxides through ESR and LC-MS/MS analyses

Saoussane Khalifa, Masaru Enomoto, Kiyotaka Nakagawa

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Physical Chemistry

Characterization of functionalized chromatographic silica materials : Coupling water adsorption and intrusion with NMR-relaxometry

Carola Schlumberger, Carlos Cuadrado-Collados, Jakob Söllner, Christoph Huber, Dorothea Wisser, Hsiao-Feng Liu, Chun-Kai Chang, Stephanie Schuster, Mark Shure, Martin Hartmann, Ilja Siepmann, Matthias Thommes

156

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Analytical Chemistry

LC-ESI-HRMS - lipidomics of phospholipids – Characterization of extraction, separation and detection parameters

Katharina Rund, Laura Carpanedo, Robin Lauterbach, Tim Wermund, Annette West, Luca Wende, Philipp Calder, Nils Helge Schebb

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Analytical Chemistry

Compound similarity network as a novel data mining strategy for high-throughput investigation of degradation pathways of organic pollutants in industrial wastewater treatment

Lirong An, Bin Chen, Yuchen Zhang, Rongfu Huang, Feng Li, Yanan Tang

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Theoretical and Computational Chemistry

Uni-pKa: An Accurate and Physically Consistent pKa Prediction through Protonation Ensemble Modeling

Weiliang Luo, Gengmo Zhou, Zhengdan Zhu, Guolin Ke, Zhewei Wei, Zhifeng Gao, Hang Zheng

331

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Polymer Science

Insights into Conformational Ensembles of Compositionally Identical Disordered Peptidomimetics

Erin C. Day, Keila C. Cunha, Jianhan Zhao, Audra J. DeStefano, James N. Dodds, Melissa A. Yu, Songi Han, Erin S. Baker, Joan-Emma Shea, Rebecca B. Berlow, Abigail S. Knight

223

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Analytical Chemistry

Mass spectrometry friendly pH-gradient anion exchange chromatography for separation of full and empty Adeno-Associated Virus (AAV) capsids

Felipe Guapo, Florian Füssl, Lisa Strasser, Jonathan Bones

106

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Analytical Chemistry

A Method to Selectively Determine Concentrations of Macromolecular Complexes: Overhauser-DNP Spectroscopy

Jonas Milani, Felipe Saenz, Kelvin Lau, Florence Pojer, Sergey Nazarov, Bertrand Dominique Beckert, Alexander Myasnikov, Christophe Roussel, Holger Frauenrathe, Jean-Philippe Ansermet

109

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Biological and Medicinal Chemistry

Identification of RNA-containing virus particles using a triple correlative morphological and microscopic approach

Tanja Deckert-Gaudig, Xiaobin Yao, Erwan Darussalam, Franziska Hornung, Pablo Carravilla, Ziliang Zhao, Kourosh Rezaei, Christian Eggeling, Stefanie Deinhardt-Emmer, Volker Deckert

111

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Analytical Chemistry

Last Month Last Month

Identification of (+)-7R-Actinidine and its Biosynthetic Pathway in Rove beetles, Cafius spp. (Coleoptera: Staphylinidae)

Investigation of the time effect on the nanozyme-mediated oxidation of 3, 3’-diaminobenzidine by hydrogen peroxide

Unveiling the Power of Negative Ion Mode ESI-MS: Identifying Species with Remarkable Signal Intensity and Collisional Stability

Identification and quantification of fluorinated polymers in consumer products by combustion ion chromatography and pyrolysis-gas chromatography-mass spectrometry

PFΔScreen – An open-source tool for automated PFAS feature prioritization in non-target HRMS data

Bottom-illuminated photothermal nanoscale chemical imaging with a flat silicon ATR in air and liquid

Sustainable phosphate removal using Mg/Ca-biochar hybrids: Current trends and future outlooks

Exploring the Chemical Subspace of RPLC: a Data Driven Approach

Tribological Behaviour of Aluminium-Copper-Cullet Metal Composite

Deconvolution and Analysis of 1H NMR Spectra of Crude Reaction Mixtures

Nonlinear potentiodynamic battery charging protocols for fun, education, and application

A multimodal view at cancerous liver tissue by chemical bioimaging and image segmentation strategies

The Synthesis of Carboxylate Rich Alicyclic Molecules for the Investigation of the Chemical Space of Dissolved Organic Matter

OptiMS: An Accessible Program for Automating Mass Spectrometry Parameter Optimization and Configuration

Examining DNA Structures with In-droplet Hydrogen/Deuterium Exchange Mass Spectrometry

Accurate compositional analysis of unknown polymer systems within ±1 wt% errors via thermogravimetry-synchronized reference-free quantitative mass spectrometry.

Towards a lab-on-chip sensor: chemiluminescence-based DNA-nanomachine for nucleic acid detection at zeptomolar concentrations

Ultraviolet Photodissociation and Collision Induced Dissociation for Qualitative/Quantitative Analysis of Low Molecular Weight Compounds by Liquid Chromatography-Mass Spectrometry

Low viscosity, high concentration pyridinium anolytes for organic non-aqueous redox flow batteries

Implementation of SPME and Rapid GC-MS as a Screening Approach for Forensic Fire Debris Applications

Mechanistic rationale for ketene formation during vaping

Mixed light photoperiod and biocide pollution affect lipid profiles of periphyton communities in freshwater ecosystems

Inhalation of climbing shoe particles is highly relevant for the human exposure to rubber-derived chemicals in indoor facilities

Click, Lock & Dye: a chromogenic handle for selective cysteine modification

Prediction of Protein B-factor Profiles based on Bidirectional Long Short-Term Memory Network

Are unlicensed feline coronavirus antiviral compounds GS-441524 and GC376 what they claim to be? A qualitative and quantitative analysis.

Coupling of phthalocyanines with plasmonic gold nanoparticles by click chemistry for an enhanced singlet oxygen based photoelectrochemical sensing

Comprehensive Mass Spectrometric Metabolomic Profiling of a Chemically Diverse Collection of Plants of the Celastraceae Family

Isolation of single molecules from complex GCxGC chromatograms

High-speed cryo-microscopy proves that ice-nucleating proteins of Pseudomonas syringae trigger freezing at hydrophobic interfaces

Extracellular Vesicles lysis: a guide for the release of biomarkers to be used in cancer diagnostics

Evaluation of a Bruker timsTOF Pro for Native Mass Spectrometry

Synthesis and Characterization of an Iron(II) Bipyridine Redox-Active Polymer

Development of HILIC-MS/MS method for acyl-CoAs covering short- to long-chain species in a single analytical run

Selective and Biocompatible Detection of Acetylcholine with a Fluorous Potentiometric Laser-Induced Graphene Sensor

Two-Dimensional Liquid Chromatography Tandem-Mass Spectrometry Untangles the Deep Metabolome of Marine Dissolved Organic Matter

Collision Induced Unfolding Reveals Disease-Associated Stability Shifts in Mitochondrial tRNAs

Selective Arylation of Selenocysteine of Thioredoxin Reductase 1 by an Organogold Compound: Expanding the Tool-Box of Metal-Templated Reactions in Cancer Cells

Comparison of nanozymatic behavior of protein-protected gold and SiO2@gold nanoparticles

MS2Mol: A transformer model for illuminating dark chemical space from mass spectra

Machine learning-based peptide-spectrum match rescoring opens up the immunopeptidome

SWAMNA: a comprehensive platform for analysis of nucleic acid modifications

ANALYTICAL DETERMINATION OF CORTISOL USING A FLUORESCENT APTAMER ASSAY

Detection of Micron-Sized Chemical Droplets Using a Commodity Digital Camera Setup

TGA-FTIR Guided Ligand Evaluation for Iron Photocatalyzed Decarboxylative Giese Reactions

Native Mass Spectrometry Dissects the Structural Dynamics of an Allosteric Heterodimer of SARS-CoV-2 Nonstructural Proteins

Hematocrit-independent sampling enables white blood cell counts from patterned dried blood spot cards

Qualitative monitoring of proto-peptide condensation by differential FTIR spectroscopy

On the utility of the extracted ion chromatograms for assigning the conjugation sites in bioconjugates synthesized by the maleimide-thiol chemistry

Prediction of Order Parameters based on Protein NMR Structure Ensemble and Machine Learning

Strategies to enhance figures of merit in ICP-ToF-MS

Fabrication of Porphyrin Based Colorimetric Sensor for the Detection of Liver Cirrhosis Biomarker

Trimethylation enhancement using diazomethane (TrEnDi) enables enhanced detection of glufosinate and 3-(methylphosphinico)propionic acid from complex canola samples

An In Silico Database for Automated Feature Identification of High-Resolution Tandem Mass Spectrometry 13C Trimethylation Enhancement Using Diazomethane (13CTrEnDi)- Modified Lipid Data

Unveiling an unexpected superoxide-mediated photooxidation mechanism of squalene monohydroperoxides to squalene hydroperoxy cyclic peroxides through ESR and LC-MS/MS analyses

Characterization of functionalized chromatographic silica materials : Coupling water adsorption and intrusion with NMR-relaxometry

LC-ESI-HRMS - lipidomics of phospholipids – Characterization of extraction, separation and detection parameters

Compound similarity network as a novel data mining strategy for high-throughput investigation of degradation pathways of organic pollutants in industrial wastewater treatment

Uni-pKa: An Accurate and Physically Consistent pKa Prediction through Protonation Ensemble Modeling

Insights into Conformational Ensembles of Compositionally Identical Disordered Peptidomimetics

Mass spectrometry friendly pH-gradient anion exchange chromatography for separation of full and empty Adeno-Associated Virus (AAV) capsids

A Method to Selectively Determine Concentrations of Macromolecular Complexes: Overhauser-DNP Spectroscopy

Identification of RNA-containing virus particles using a triple correlative morphological and microscopic approach

Last Month