Article
Chemistry, Multidisciplinary
Hisashi Hashimoto, Yoshihiro Ueda, Kiyosei Takasu, Takeo Kawabata
Summary: Catalyst-controlled substrate-selective silylation of alcohols is achieved independently of the reactivity of hydroxy group based on steric environment. The reaction shows high selectivity towards 1,5-amino alcohol derivatives and discriminating ability towards remote functionality at C(5) from reacting hydroxy groups in the silylation of pentanol analogues.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Physical
Hongjun Dong, Michelle C. Y. Chang
Summary: Ketoreductases are a key member of the oxidoreductase family with significant applications in biotechnology and metabolic engineering. The study provides insights into the substrate selectivity of a mitochondrial ketoreductase AsHadh2 from Ascaris suum and identifies mutations that alter the selectivity for specific substrates, shedding light on the factors impacting substrate selectivity in enzymatic systems.
Article
Biochemistry & Molecular Biology
Irina Panina, Nikolay Krylov, Mohamed Rasheed Gadalla, Elena Aliper, Larisa Kordyukova, Michael Veit, Anton Chugunov, Roman Efremov
Summary: Lipid modification of viral proteins plays a crucial role in virus pathogenesis. The study focuses on human DHHC20 enzyme involved in S-protein acylation of SARS-CoV-2. Molecular dynamics simulations reveal that C16 is the preferred acyl chain length for autoacylation by hDHHC20, although the V185G mutant shows preference for C18. Unusual hydrophilic ridge and responsive hydrophilic patch in hDHHC20 and S-protein TM-domain trimer respectively are also found. Mutations in critical residues of the spike protein result in decreased S-acylation. The findings may contribute to the development of inhibitors targeting hDHHC20 for interfering with replication of coronaviruses and other enveloped viruses.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemistry & Molecular Biology
John E. Cronan
Summary: FadR is a transcription factor in E. coli that regulates fatty acid metabolism in response to environmental fatty acids. It represses fatty acid degradation genes and activates fatty acid synthesis genes. Overproduction of FadR increases fatty acid yields but may have negative effects on cell physiology.
MOLECULAR MICROBIOLOGY
(2021)
Article
Chemistry, Physical
Alberto Ciferri
Summary: Chemical and shape recognition are crucial mechanisms for assembling complex bio-structures, with translational motions playing a key role in fibrillogenesis. The refined assessment of thermodynamic parameters must consider contributions from various molecular motions and electronic interactions, including recognition involving multiple distant partners. Enzyme-substrate complex assembly is discussed as a dynamic equilibrium process.
Article
Engineering, Chemical
Mehdi Zakeri Khatir, Mahmoud Abdollahy, Mohammad Reza Khalesi, Bahram Rezai
Summary: Fluorine ion was used as a chelating agent to selectively separate neodymium ion from aluminum ion. The presence of fluorine ions enhanced the selective separation of neodymium ion. However, the selectivity coefficient decreased with increasing fluorine ion concentration. The experimental results also confirmed the stronger interaction between fluorine ions and neodymium ions.
MINERALS ENGINEERING
(2022)
Article
Biochemistry & Molecular Biology
Daniel Toth, Balint Dudas, Maria A. Miteva, Erika Balog
Summary: Sulfotransferases (SULTs) are enzymes that add sulfate esters to a wide variety of compounds. SULT1A1 and SULT1A3, despite their high similarity, differ in substrate specificity and flexibility, with specific residues playing crucial roles in substrate recognition.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Biochemistry & Molecular Biology
Carlo W. T. van Roermund, Lodewijk IJlst, Alison Baker, Ronald J. A. Wanders, Freddie L. Theodoulou, Hans R. Waterham
Summary: ABC subfamily D transporters are crucial for transporting fatty acids and other substrates into peroxisomes, controlling CoA homeostasis and tuning metabolism according to cell demands.
Article
Chemistry, Physical
Yiyang Lu, Meera Joy, Brian P. Bloom, David H. Waldeck
Summary: This study shows that both electron spin polarization and stereoisomeric effects have comparable contributions to the enantioselective binding of amino acids. Magneto-electrochemical quartz crystal microbalance methods were used to investigate the adsorption of chiral amino acids on a monolayer film of chiral molecules that were spin polarized by an underlying ferromagnetic substrate. The direction of electron spin polarization affects the kinetics and thermodynamics of the enantiospecific adsorption of amino acids. Comparison with circular dichroism spectra indicates that the circular dichroism spectrum of the interacting group is a good indicator for predicting the contributions of electron spin to the intermolecular interaction. These findings highlight the significance of electron spin in the enantioselective recognition between chiral amino acids and represent a paradigm shift in understanding selectivity in biorecognition.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Lindsey C. Applegate, Vidumini S. Samarasiri, Johna Leddy, Tori Z. Forbes
Summary: The confinement-dependent properties of solvents, particularly water, within nanoporous spaces have unique physical and chemical behavior compared to those of the bulk. This study confirms a two-step process for water uptake in nanoporous materials and expands the existing kinetic model for water diffusion. Vapor sorption experiments and analysis support the initial hypothesis and show that water uptake is dependent on relative humidity rather than vapor pressure.
Article
Chemistry, Physical
Xinyue Zhang, Hao Zhang, Shanshan Guan, Zhijian Luo, E. Jingwen, Zhijie Yang, Juan Du, Song Wang
Summary: In this study, the binding mode, key residues, and catalytic mechanisms of E. coli thioesterase 'TesA and its mutants were investigated using molecular docking, molecular dynamics simulations, and MM/PBSA calculations. The results revealed that key residues and the length of the binding pocket are crucial factors influencing substrate selectivity.
Review
Chemistry, Analytical
Dan Li, Kui Luo, Lianming Zhang, Jingxia Gao, Jinlu Liang, Jianping Li, Hongcheng Pan
Summary: The text introduces the principle of chiral imprinting recognition and reviews various strategies in the past 10 years to improve the selectivity of chiral imprinting, such as using derivative functional monomers, supramolecular compounds, chiral assembly materials, and biomolecules.
CRITICAL REVIEWS IN ANALYTICAL CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Irina S. Panina, Nikolay A. Krylov, Anton O. Chugunov, Roman G. Efremov, Larisa V. Kordyukova
Summary: S-acylation is an important post-translational modification that links long chain fatty acids to cysteines. This process is catalyzed by a family of 23 membrane DHHC-acyltransferases in human cells. In this study, the researchers used molecular dynamics simulations to investigate the structure of membrane-bound hDHHC20 before acylation by different chain length acyl-CoA substrates. The results showed that regardless of the chain length, the terminal methyl group of the substrate always reaches the ceiling of the enzyme's cavity. Only C16 showed optimal reactivity for autoacylation. These findings provide insights into the specific recognition of acyl-CoA substrates by DHHC-acyltransferases.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Analytical
Lianguo Geng, Shengqiang Hu, Fengping Liu, Lu Liu, Xin He, Yangcan Wang, Yuhui Zhu, Hui Xu, Shulin Zhao, Fanggui Ye
Summary: In this study, a novel dual molecular recognition event was proposed for rapid and reliable electrochemical analysis of glutathione (GSH). The GSH-involved dual molecular recognition events allowed sensitive and wide-range analysis of GSH, while ensuring selective analysis. Additionally, the presence of Fe3O4 allowed modification-free detection within a short time period.
SENSORS AND ACTUATORS B-CHEMICAL
(2023)
Article
Materials Science, Ceramics
Shingo Urata, Nobuhiro Nakamura, Tomofumi Tada, Hideo Hosono
Summary: In order to extend the capacity of long-distance optical fiber communication, further attenuation of Rayleigh scattering in silica glass is necessary. Research has shown that co-doping with alumina and fluorine can reduce density fluctuations in silica glass, but may not be sufficient to completely attenuate Rayleigh scattering. It was observed that increasing alumina doping at high levels can actually increase density fluctuations in silica glass.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Neil S. Keddie, Alexandra M. Z. Slawin, Tomas Lebl, Douglas Philp, David O'Hagan
Article
Chemistry, Physical
Rodrigo A. Cormanich, Neil S. Keddie, Roberto Rittner, David O'Hagan, Michael Buehl
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2015)
Article
Chemistry, Physical
Michael J. Lecours, Rick A. Marta, Vincent Steinmetz, Neil Keddie, Eric Fillion, David O'Hagan, Terrance B. McMahon, W. Scott Hopkins
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2017)
Article
Chemistry, Multidisciplinary
Blake E. Ziegler, Michael Lecours, Rick A. Marta, Joshua Featherstone, Eric Fillion, W. Scott Hopkins, Vincent Steinmetz, Neil S. Keddie, David O'Hagan, Terrance B. McMahon
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2016)
Article
Biochemistry & Molecular Biology
Amy M. Weeks, James A. Wells
NATURE CHEMICAL BIOLOGY
(2018)
Article
Multidisciplinary Sciences
Shixian Lin, Xiaoyu Yang, Shang Jia, Amy M. Weeks, Michael Hornsby, Peter S. Lee, Rita V. Nichiporuk, Anthony T. Iavarone, James A. Wells, F. Dean Toste, Christopher J. Chang
Article
Chemistry, Organic
Neil S. Keddie, Pier Alexandre Champagne, Justine Desroches, Jean-Francois Paquin, David O'Hagan
BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY
(2018)
Article
Multidisciplinary Sciences
Amy M. Weeks, Ningkun Wang, Jeffrey G. Pelton, Michelle C. Y. Chang
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2018)
Article
Chemistry, Physical
Daniel M. Dawson, Lauren E. Jamieson, M. Infas H. Mohideen, Alistair C. McKinlay, Iain A. Smellie, Romain Cadou, Neil S. Keddie, Russell E. Morris, Sharon E. Ashbrook
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2013)
Article
Chemistry, Inorganic & Nuclear
Rudy D. P. Wadoux, Xiaowei Lin, Neil S. Keddie, David O'Hagan
TETRAHEDRON-ASYMMETRY
(2013)
Review
Chemistry, Multidisciplinary
Amy M. Weeks, James A. Wells
Article
Chemistry, Multidisciplinary
Iain A. Smellie, Cameron L. Carpenter-Warren, Brian A. Chalmers, David B. Cordes, Rodrigo P. F. De A. Gouy, Neil S. Keddie, Tomas Lebl, Iain L. J. Patterson, Alexandra M. Z. Slawin
Summary: This work introduces a simple protocol using a low-cost carbon monoxide detector to detect the release of carbon monoxide gas from thermal cheletropic decarbonylation reactions. The detection method has been applied in a series of short experiments conducted in university teaching labs, with full procedures outlined including isolation and identification of the decarbonylation products.
JOURNAL OF CHEMICAL EDUCATION
(2021)
Article
Chemistry, Organic
R. Alan Aitken, Neil S. Keddie, Alexandra M. Z. Slawin