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http://dx.doi.org/10.1128/jb.26.6.543-558.1933 | DOI Listing |
J Chem Inf Model
January 2025
Key Laboratory for Photonic and Electronic Bandgap Materials, Ministry of Education, College of Chemistry and Chemical Engineering, Harbin Normal University, Harbin 150025, China.
Tryptophan participates in important life activities and is involved in various metabolic processes. The indole and aromatic binuclear ring structure in tryptophan can engage in diverse interactions, including π-π, π-alkyl, hydrogen bonding, cation-π, and CH-π interactions with other side chains and protein targets. These interactions offer extensive opportunities for drug development.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, United States.
Controlling materials' composition and structure to selectively adsorb rare earth elements (REE) is critical for better separations. Understanding how local electric potentials affect REE adsorption and how they can be modified via chemical substitution is of fundamental importance. We present calculated mean inner potentials for muscovite and phlogopite micas in excellent agreement with measured values of +10.
View Article and Find Full Text PDFJ Hazard Mater
January 2025
Department of Ocean Science and Engineering, Southern University of Science and Technology, Shenzhen, China.
The development of cost-effective point-of-use (POU) devices that effectively remove lead (Pb) from drinking water is imperative in mitigating the threat of Pb contamination to public health in underdeveloped regions. Herein, we have successfully transformed inexpensive natural kaolinite as hydroxy-sodalite (HySOD) via a simple hydrothermal process, achieving an impressive yield of 91.5 %.
View Article and Find Full Text PDFJ Hazard Mater
January 2025
Key Laboratory of Industrial Ecology and Environmental Engineering (Ministry of Education), School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024, China.
Sunlight irradiation of dissolved organic matter (DOM) in surface water results in the production of photochemically produced reactive intermediates (PPRIs). This process is inevitably influenced by co-existing metal ions in aquatic environments; However, the underlying mechanism remains unclear. In this study, the effect of co-existing copper ion (Cu) on PPRIs produced by irradiation of DOM was systematically investigated, because Cu is a typical redox transient cation and has strong affinity to DOM.
View Article and Find Full Text PDFMol Inform
January 2025
Institute of Pharmaceutical and Medicinal Chemistry, University of Münster, Corrensstr. 48, 48149, Muenster, Germany.
Primary carnitine deficiency (PCD) is a rare autosomal recessive genetic disorder caused by missense mutations in the SLC22A5 gene encoding the organic carnitine transporter novel type 2 (OCTN2). This study investigates the structural consequences of PCD-causing mutations, focusing on the N32S variant. Using an alpha-fold model, molecular dynamics simulations reveal altered interactions and dynamics suggesting potential mechanistic changes in carnitine transport.
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