Results 231 to 240 of about 177,307 (324)

Interpretable machine learning framework for designing high ionic conductivity in low‐temperature lithium‐ion battery electrolytes

Materials Genome Engineering Advances, EarlyView.
An interpretable machine learning framework that combines least absolute shrinkage and selection operator (LASSO) regression with SHapley Additive exPlanations analysis was used to investigate the structure–property relationships in multicomponent lithium‐ion battery electrolytes.
Huiyang Fan, Zhengyang Mei, Jianhua Yan, Zheng Bo, Zhu Liu   +4 more
wiley   +1 more source

Derivatization of Bufadienolides at Carbon-3 of the Steroid Core and Their Consequences for the Interaction with Na⁺,K⁺-ATPase. [PDF]

Int J Mol Sci
Ladefoged LK, Schiøtt B, Fedosova NU.
europepmc   +1 more source

Conformational Analysis and NMR Data Assignment of Taraxerone Isolated From Cnidoscolus aconitifolius (Chaya)

Magnetic Resonance in Chemistry, EarlyView.
We report the first complete NMR assignment of taraxerone, a pentacyclic triterpenoid isolated from Cnidoscolus aconitifolius (chaya). Using 2D NMR, DFT, and NBO analysis, we resolved spectral ambiguities due to high‐order couplings and signal overlap. Two Ring A conformers were identified and characterized.
Mónica Díaz‐Fernández, Karla Cahun‐Uicab, Viviana Roche‐Llerena, Leonardo Hernández, Geonel Rodríguez‐Gattorno, Armando Ariza‐Castolo, María A. Fernández‐Herrera   +6 more
wiley   +1 more source

Stereoisomer library prepared <i>via</i> controlled radical polymerization: isolation, structural identification and discovery of stereospecific gelation behaviour of tri(N-phenyl acrylamide). [PDF]

Chem Sci
Nagai Y, Iwamoto H, Fukuda S, Akashi S, Iseri S, Tada H, Yamanaka T, Wada K, Tsuji S, Ono T, Miura Y, Taniguchi T, Hoshino Y.   +12 more
europepmc   +1 more source

STEROID COMPOUNDS. PART VII . SOME OBSERVATIONS ON THE COPE-KNOEVENAGEL CONDENSATION OF ETHYL CYANOACETATE WITH ETHYL 2-METHYL-2β-CARBETHOXYETHYlcycloPENTA- NONE AND THE STEREOCHEMISTRY OF THE REDUCTION PRODUCT

, 1956
Naba K. Chaudhuri, P. C. MUKHARJI
openalex   +2 more sources

Betaine‐Conjugated ß‐Peptide Foldamers: Influence of Quaternary Charge on Self‐Organization and MorphologyFormation

ChemistryOpen, EarlyView.
N‐terminal betaine conjugation modifies β‐peptide helices, influencing folding and self‐organization. For [1S, 2S]‐ACPC, folding to an H12 helix was unaffected, while [1R, 2R]‐ACHC formed an H14 helix instead of H10. Alternating heterochiral oligomers made of enantiomeric pairs of trans‐ACPC showed enhanced solubility and E‐strand formation.
Nikolett Varró, Eszter Erdei, Dóra Bogdán, Eszter Kalydi, Ruth Deme, Balázs Balogh, Imola Cs. Szigyártó, Tamás Beke‐Somfai, Zoltán Varga, Pál Szabó, István M. Mándity   +10 more
wiley   +1 more source

Combination of Molecular Dynamics Simulations and Machine Learning Reveals Structural Characteristics of Stereochemistry-Specific Interdigitation of Synthetic Monomycoloyl Glycerol Analogs. [PDF]

J Chem Inf Model
Heinonen S, Koivuniemi A, Davies M, Karttunen M, Foged C, Bunker A.   +5 more
europepmc   +1 more source

Metabolism of Epoxidised Withanolides by a Generalist and a Specialist Insect Species

ChemistryOpen, EarlyView.
Larvae of Heliothis (Chloridea) virescence and subflexa have the ability to convert the epoxidized terpenoid 4β‐hydroxywithanolide E (4BHWE) to withanolide S. The conversion is found by feeding the larvae an artificial diet supplemented with 13C‐labeled 4BHWE.
Marie Pauline Sell, Christian Paetz, Felix Feistel, David G. Heckel, Yannick Pauchet   +4 more
wiley   +1 more source

An Asymmetric Approach toward the <i>Aristotelia</i> Alkaloid (-)-Penduncularine. [PDF]

Org Lett
Liang G, Christensen KE, Anderson EA.
europepmc   +1 more source

Studies in Stereochemistry. XII. Mechanism of Racemization in Schiff Bases of D-Methionine Ethyl Ester.

, 1957
Tanezo Taguchi, Tatsuya Ishida
openalex   +2 more sources