Results 21 to 30 of about 13,428 (198)

Hirshfeld Surface Analysis and Energy Framework for Crystals of Quinazoline Methylidene Bridged Compounds

Proceedings, 2020
The crystal structures of 4-(3,4-dimethoxyphenylethylamino)-methylidene-2,3,4,10-tetrahydro-1H-pyrido[2,1-b]-quinazolin-10-one (1) and 4-(3,4-methylene-dioxyphenylethylamino)-methylidene-2,3,4,10-tetrahydro-1H-pyrido[2,1-b]-quina-zolin-10-one ...
Akmaljon Tojiboev, Sherzod Zhurakulov, Ulli Englert, Ruimin Wang, Irmgard Kalf, Valentina Vinogradova, Kambarali Turgunov, Bakhodir Tashkhodjaev   +7 more
doaj   +1 more source

Noncanonical Peloruside A Biosynthesis by an Uncultivated Verrucomicrobiota Symbiont

Angewandte Chemie, EarlyView.
Noncanonical biochemistry of the peloruside PKS characterized in this work, comprising double bond generation by a noncanonical tridomain (blue), acetyl‐CoA recycling (orange), and proofreading systems (purple and yellow). The Z‐double bond is installed by TEB1 through O‐acetylation and acetate elimination. The acyl ligase PelB (AL, orange) selectively
Amy E. Fraley, Michael Rust, Moritz Wagner, Ida R. Hipfinger, Paul J. N. Böhm, Cora L. Dieterich, Christopher M. Field, Michael J. Page, Jeremy G. Owen, Robert A. Keyzers, Shinichi Sunagawa, Jörn Piel   +11 more
wiley   +2 more sources

Reversible Parahydrogen Induced Hyperpolarization of 15N in Unmodified Amino Acids Unraveled at High Magnetic Field

Advanced Science, 2023
Amino acids (AAs) and ammonia are metabolic markers essential for nitrogen metabolism and cell regulation in both plants and humans. NMR provides interesting opportunities to investigate these metabolic pathways, yet lacks sensitivity, especially in case
Ewoud Vaneeckhaute, Jean‐Max Tyburn, James G. Kempf, Johan A. Martens, Eric Breynaert   +4 more
doaj   +1 more source

Breakthrough Design of Highly Potent Antivirals Against Wild‐Type HIV‐1 and Lenacapavir‐Resistant M66I Variant

Angewandte Chemie, EarlyView.
Lenacapavir, the first‐in‐class drug targeting HIV‐1 capsid, is a breakthrough drug in HIV‐1 treatment and prophylaxis. However, a single M66I mutation confers complete viral resistance to lenacapavir. We report herein the design and synthesis of innovative R2 analogs demonstrating low nM potency against HIV‐1 M66I and excellent pharmacokinetics in ...
Nicolas Jamey, D. M. Nirosh Udayanga, Huanchun Zhang, Roshan Katekar, Wei Xie, Shreya M. Ravichandran, Xinyong Cai, Zachary C. Lorson, William M. McFadden, Won Hee Ryu, Jiashu Xie, Karen A. Kirby, Stefan G. Sarafianos, Zhengqiang Wang   +13 more
wiley   +2 more sources

Backbone Steric Constraints Underlie High Passive Membrane Permeability of N‐Alkyl Peptides

Angewandte Chemie, EarlyView.
Beyond amide hydrogen removal, steric constraints encoded in N/Cα‐dually substituted backbones are uncovered as a key determinant of passive membrane permeability in N‐alkyl peptides. These constraints restrict conformational freedom and sterically limit backbone hydration during membrane permeation.
Ayumi Inayoshi, Mariko Akiba, Marin Yokomine, Masatake Sugita, Koji Umezawa, Yuto Hirota, Yutaka Akiyama, Jumpei Morimoto, Shinsuke Sando   +8 more
wiley   +2 more sources

Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30

EFSA Journal, 2011
The Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids of the European Food Safety Authority was requested to evaluate 61 flavouring substances in the Flavouring Group Evaluation 10, Revision 2, using the Procedure in Commission ...
EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
doaj   +1 more source

Stereometric Molecular Engineering for Ultra‐Stable Aqueous Zinc‐Ion Batteries

Advanced Functional Materials, EarlyView.
Stereochemical configuration of molecular additives greatly influences interfacial adsorption at the Zn surface. The optimal tilted dual‐anchored adsorption geometry of myo‐inositol constructs a water‐deficient interface and regulates the solvation structure.
Cunxin Liu, Peng Yang, Mohamed H. Helal, Jiang Zhou, Eero Kontturi   +4 more
wiley   +1 more source

Distinct Molten‐Globule Conformations in an Interacting Protein Domain Resolved by 19F NMR of Fluoroproline Residues

Angewandte Chemie, EarlyView.
Modifying the conformational ensemble of “molten‐globule” protein by the site‐specific incorporation of stereoisomeric 4‐fluoroproline residues modulated its binding affinity and aggregation behavior. 19F NMR spectroscopy enabled the detection of key interactions responsible for structural and dynamic changes. ABSTRACT Recently, the application of deep
Abir Ben Bouzayene, Mariam Sai, Alexis Jouin, Yves Nominé, Vladimir Torbeev, Bruno Kieffer   +5 more
wiley   +2 more sources

“Smelltronics”—From Gas to Smell Sensing

Advanced Materials, EarlyView.
The emerging field of smelltronics, encompassing sensing technologies for complex volatile organic compounds, holds significant potential for extracting valuable chemical information. It facilitates the noninvasive, real‐time monitoring of humans, food, and the environment.
Takeshi Ono, Tsunaki Takahashi, Jiangyang Liu, Haruka Honda, Zeng Jing, Wataru Tanaka, Takuro Hosomi, Takeshi Yanagida   +7 more
wiley   +1 more source

Practical Computational Exploration of Chemical Reaction Space: Assessing the Chemical Stability of Active Pharmaceutical Ingredients Under Acidic Conditions

Angewandte Chemie, EarlyView.
Metadynamics simulations drive automated reaction exploration of acid‐catalysed drug degradation, generating a network spanning 1720 species and 2471 elementary steps. QM‐based filtering reduces the network to eight candidate pathways for rigorous DFT refinement and microkinetic modelling.
Julius Seumer, Maria Harris Rasmussen, Oriana Brea, Mikko Muuronen, Andreas H. Göller, Jan H. Jensen   +5 more
wiley   +2 more sources