Results 211 to 220 of about 5,444,235 (274)

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

Enhancing Relative Binding Free Energy Calculation with Grand Canonical Monte Carlo, Water-swap Monte Carlo, Terminal-flip Monte Carlo and Replica Exchange Solute Tempering. [PDF]

J Chem Theory Comput
Hui C, de Groot BL.
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

A Multi-Stimuli Transformational Network of Benzil-Based Pd(II) Assemblies. [PDF]

Angew Chem Int Ed Engl
Zeng Z, Gia AP, Mikherdov AS, Acar M, Schmidt B, Clever GH.   +5 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

Design of aptamer peptides for immunomodulation. [PDF]

J Enzyme Inhib Med Chem
Chowdhury A, Shrestha P, Subramanian V, Mayandi V, Mahajan M, Jois SD.   +5 more
europepmc   +1 more source

Tribenzotriquinacene Fused Dimers (“Fusodimers”)—Synthesis and Host–Guest Properties

Chemistry – A European Journal, EarlyView.
Two tribenzotriquinacene units merged with each other in either syn‐ or anti‐orientation of the bowls have become accessible in a short synthesis. In contrast to the anti‐isomer, the syn‐isomer forms 1:1 host–guest complexes with both C60 and C70 in solution and in the solid state, as shown by 1H NMR spectroscopy and x‐ray diffraction.
Chun‐Fai Ng, Lisi He, Yin‐Ying Cheung, Xiao‐Ping Cao, Dietmar Kuck, Hak‐Fun Chow   +5 more
wiley   +1 more source

Modulating the photophysical properties of perylene-based light-harvesting materials <i>via</i> bay-induced distortion and core twisting: a combined computational and experimental study. [PDF]

RSC Adv
Arafa YH, El-Hendawy MM, Abdelmoneim A, El-Khouly ME.   +3 more
europepmc   +1 more source

The Radical Chemistry of 2,3‐Diguanidinopyridines: Coordination and Visible‐Light Photochemistry

Chemistry – A European Journal, EarlyView.
Substitution at the pyridine core of 2,3‐diguanidinopyridines was used to develop novel redox‐active molecules with three interconvertible redox states. They are applied as redox‐active ligands in coordination chemistry. Visible‐light irradiation of the pyridine N‐benzylated molecules leads to photoconversion to a higher‐energetic isomer.
Hanna Koepcke, Etienne Engels, Elisabeth Kaifer, Hans‐Jörg Himmel   +3 more
wiley   +1 more source

When Dihedral Angles Mask Denticity in Molecular Conductance. [PDF]

Chemphyschem
Batzinger K, Dyer D, Peiris MDHC, El-Assaad TH, Arachchige RYA, LaMotte S, McGrath DV, Monti OLA, Smeu M.   +8 more
europepmc   +1 more source