Results 141 to 150 of about 241,511 (301)

AS‐pHopt: An Optimal pH Prediction Model Enhanced by Active Site of Enzymes

Advanced Intelligent Discovery, EarlyView.
To address the low accuracy of enzyme optimal pH (pHopt) prediction, this study develops active site‐based pHopt (AS‐pHopt), a prediction model enhanced by active site information and pseudo‐label prediction. Integrating key structural and physicochemical features affecting enzyme pHopt, AS‐pHopt uses Evolutionary Scale Modeling (ESM)‐2 with active ...
Wenxiang Song, Xinmin Li, Hongbo Yu, Le Xiong, Guixia Liu, Weihua Li, Yun Tang   +6 more
wiley   +1 more source

Formation of Gallium Monofluoride in the Coordination Sphere of Nickel

Angewandte Chemie, EarlyView.
The elusive gas‐phase species gallium monofluoride forms selectively in the coordination sphere of a nickel(II) centre as a product of C(sp3)–F bond activation, with a weakly coordinating anion as the fluorine source. The herein reported gallium monofluoride ligand acts as a very strong σ‐donor ligand at nickel and serves as a fluorine donor towards ...
Johannes Stephan, Samia Kahlal, Jean‐Yves Saillard, Marvin Mühlau, Lisa Gremmel, Christian Gemel, Roland A. Fischer   +6 more
wiley   +2 more sources

Robot‐Assisted Measurement of the Critical Micelle Concentration

Advanced Intelligent Systems, Volume 7, Issue 3, March 2025.
The study introduces (SIMO) smart integrator for manual operations, a robotic platform for precise, repeatable determination of (CMC) critical micelle concentration in surfactants. SIMO reduces standard deviation by 80% compared to manual methods. Surfactant, dye, and diluent selection, robotic protocols, and data handling are detailed.
Vincenzo Scamarcio, Gadi Slor, Josie Hughes, Francesco Stellacci   +3 more
wiley   +1 more source

Allosteric Regulation of Photophysics and Binding in Oxazine‐macrocycle Complexes at Single‐molecule Resolution

Angewandte Chemie, EarlyView.
This work explores the interactions between the oxazine dye ATTO655 and two macrocyclic hosts using optical (single‑molecule) spectroscopy. Although ATTO655 forms a classical inclusion complex with cucurbit[8]uril (CB8), its interaction with p‑sulfonatocalix[4]arene (sCX4) leads to the formation of dim exclusion complexes.
Siyu Lu, Thomas‐Otavio Peulen, Hongbin Wu, Florian Lindemann, Despoina Kapiki, Rasmus Linser, Andreas Hennig, Thorben Cordes   +7 more
wiley   +2 more sources

Flavouring Group Evaluation 23, Revision 1 (FGE.23Rev1): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 26 and 30 ‐ Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food

EFSA Journal, 2008
European Food Safety Authority (EFSA)
doaj   +1 more source

Viscosity for Some Organic Binary Liquid Systems: A Theoretical Study on Correlative Modeling

Journal of Applied Science & Process Engineering
This study investigates the performance of different groups of binary liquid mixtures for various aliphatic hydrocarbons of both polar and non-polar types.
Hasan Mahmud Ornok, Md. Niamat Ullah, M. Mehedi Hasan Rock, Faisal I Chowdhury, Shamim Akhtar   +4 more
doaj  

CRUSH-Cleavage Rules Using SMIRKS Heuristics: an enhanced molecular fragmentation algorithm. [PDF]

J Cheminform
López-López E, Medina-Franco JL, Miljković F.   +2 more
europepmc   +1 more source

Response of an Infant With Presumed Multiple Acyl‐CoA Dehydrogenase Deficiency (MADD) to Ketone Supplementation

American Journal of Medical Genetics Part A, EarlyView.
ABSTRACT Multiple Acyl‐CoA Dehydrogenase Deficiency (MADD) is an autosomal recessive inborn error of metabolism caused by biallelic pathogenic variants in one of three known genes: ETFA, ETFB, and ETFDH. It can cause multisystem dysfunction, including cardiomyopathy in severe cases.
Yutaka Furuta, Kaitlyn N. Bloom, Jerry Vockley, Angela R. Grochowsky, Neena S. Agrawal, Ellen W. Strickler, Natalie N. Owen, Erica T. Gray, B. Lakshitha A. Perera, Eric R. Gamazon, Lynette C. Rives, Hua‐Chang Chen, Qi Liu, Rizwan Hamid, Joy D. Cogan, John A. Phillips III, Thomas A. Cassini, Bryce A. Schuler   +17 more
wiley   +1 more source

The Role of Shape Commensurability in Chirality Transfer: Gold Nanoshape Solutes in a Discotic Nematic Liquid Crystal Solvent

Angewandte Chemie, EarlyView.
We report on a suitable approach to predict the chirality “strength” and efficacy of chirality transfer from chiral nanoshape solutes to an achiral discotic nematic (ND) liquid crystal solvent. Highly efficacious chirality transfer based on shape commensurability between nanoshape solute (in the form of gold nanodiscs, GNDs) and a ND solvent was ...
Gourab Acharjee, Lara Querciagrossa, Grace A. R. Rohaley, Nicholas M. Kamuti, Ashwathanarayana Gowda, Suraj Kumar Pathak, Asmita Shah, Kun Zhang, Jianfang Wang, Claudio Zannoni, Torsten Hegmann   +10 more
wiley   +2 more sources

Physicochemical Characterization and Metabolites Identification of the Synthetic Cannabinoid MDMB-5'Br-PINACA Using <i>In Silico</i> and <i>In Vitro</i> Approaches. [PDF]

Chem Res Toxicol
Godoi AB, Antunes NJ, da Silva JCC, Cordeiro G, Castro TFD, Costa JL.   +5 more
europepmc   +1 more source