Results 211 to 220 of about 9,099,574 (279)

(<i>E</i>)-4-{[(4-Meth-oxy-naphthalen-1-yl)methyl-idene]amino}-phenol. [PDF]

IUCrdata
Ghames A, Ziani N, Djedouani A, Hannachi D, Crochet A, Stoeckli-Evans H.   +5 more
europepmc   +1 more source

Synthesis and Structures of Novel Chiral Cyclic Hypervalent Iodine(III) Reagents for Metal‐Free Ligand‐Transfer Reactions

Chemistry – A European Journal, EarlyView.
Several new chiral cyclic hypervalent iodine(III) reagents have been synthesized and characterized. Carbon‐based ligands were successfully installed onto the hypervalent iodine centers, giving thus access to novel chiral cyano‐, trifluoromethyl‐ or alkynyl‐bearing λ3‐iodanes.
Emmanuel Valzer, Jean‐Marc Sotiropoulos, Karinne Miqueu, Laurent Pouységu, Stéphane Quideau   +4 more
wiley   +1 more source

In Silico Decoding of Nonsteroidal Mineralocorticoid Receptor Antagonist Binding: Implications for Drug Design. [PDF]

J Chem Inf Model
Pérez-Gordillo F, Carpio LE, Alvarez de la Rosa D, Martín-Martínez M.   +3 more
europepmc   +1 more source

Synthesis of Tris(indol‐3‐yl)methanes From Indoles, CO2, and Dimethylphenylsilane With BPh3: Two‐Step Construction of π‐Conjugated Systems

Chemistry – A European Journal, EarlyView.
Tris(indol‐3‐yl)methanes were synthesized from indoles, CO2, and PhMe2SiH in the presence of BPh3 in acetonitrile at 50°C. One product, tris(4‐bromo‐1‐methylindol‐3‐yl)methane, underwent a palladium‐catalyzed cascade reaction for the formation of a novel polycyclic heteroaromatic compound, where the methine C(sp3) atom originating from CO2 was ...
Sha Li, So Saibara, Reito Yasui, Kazuto Takaishi, Natsumi Nitta, Tadashi Ema   +5 more
wiley   +1 more source

Revisiting the Explanations of the Beta-Sheet Twist and Its Handedness. [PDF]

Int J Mol Sci
Ruth B, Fichtner M, Schuster S.
europepmc   +1 more source

Enabling Cross‐Coupling Reactivity of α‐Pentafluorosulfanyl Compounds with a Thermally Stable Organozinc α‐SF5 Reagent

Chemistry – A European Journal, EarlyView.
This work describes the first example of a thermally stable α‐SF5 organometallic reagent, which allows for extensive downstream functionalization by allylation and acylation reactions under copper catalysis, as well as palladium‐catalyzed Negishi‐type cross‐coupling conditions up to 96% yield. In silico analysis shines initial light on the requirements
Lujie Xu, David Rombach
wiley   +1 more source

Dimercaprol (BAL): Insights into conformational stability, fragmentation pathways via tandem LR-ESI, HR-EI mass spectrometry, and gas-phase thermochemical properties from quantum chemical calculations. [PDF]

PLoS One
Molano MF, Gómez Gómez AM, Moncayo-Lasso A, Bejarano CA, Diaz JE, Buendía-Atencio C, Delgado MÁ, Lorett Velásquez VP, Loaiza AE, Mejía SM.   +9 more
europepmc   +1 more source

β‐Ketonitrile‐Modified Prodan Derivatives as Large‐Stokes‐Shift Solvatochromic Fluorophores With Enhanced Brightness and Ratiometric Thermometric Response

Chemistry – A European Journal, EarlyView.
We report a systematic study of β‐ketonitrile–modified Prodan‐type solvatochromic fluorophores. The β‐ketonitrile substitution induces marked bathochromic shifts in absorption and emission and significantly enhances fluorescence quantum yields in nonpolar solvents.
Hiroaki Asakawa, Takuya Tanaka, Kensei Konishi, Gen‐ichi Konishi   +3 more
wiley   +1 more source

Spectroscopic characterization and DFT-based structural analysis of a novel sulfonyl-acetamide imidazole derivative with multi-target protein docking studies. [PDF]

RSC Adv
Geetha R, Balachandran V, Arulraj R, Thirughanasambantham N, Narayana B, Mohan Radheep D, Jayashree A, Venkatachalapathy VSK, Ramasami P.   +8 more
europepmc   +1 more source

GH172 Difructose Dianhydride I Synthase: A Two‐Stepped Journey via Glycosylation and Cyclization Using QM/MM Metadynamics

Chemistry – A European Journal, EarlyView.
Unlocking the chemistry of caramel by simulations and experimental validation. αFFase1${\alpha }\rm{FFase1}$ converts inulobiose into difructose dianhydride I, one component of caramel, through two steps: a rate‐limiting glycosylation (with a rare sugar ring flip) followed by a cyclization step, guided by residues E85, K147, and N226.
Santiago Alonso‐Gil, Bruno Di Geronimo, Toma Kashima, Akihiro Ishiwata, Katsunori Tanaka, Kiyotaka Fujita, Shinya Fushinobu, Pedro A. Sánchez‐Murcia   +7 more
wiley   +1 more source