Results 231 to 240 of about 114,417 (310)

Synthesis of Urea‐Containing Derivatives and their Application as Potential Anti‐Methicillin‐Resistant Staphylococcus Aureus Agents

ChemMedChem, EarlyView.
A series of propylureido amides against methicillin‐resistant Staphylococcus aureus (MRSA) activity was prepared. The design involved replacing other hydrogen bond donors reported in FabI inhibitors with a urea moiety, while maintaining other pharmacophoric features.
Jorge A. González‐Cruz, Gerardo González‐Gallardo, J. Ricardo Pérez‐Velázquez, Carlos D. García‐Mejía, José Manuel Guevara‐Vela, Jesús A. Oria‐Hernández, Adriana Castillo‐Villanueva, Tomás Rinza‐Rocha, Eduardo Hernández‐Vázquez   +8 more
wiley   +1 more source

Correction: An automated protocol to construct flexibility parameters for classical forcefields: applications to metal-organic frameworks. [PDF]

RSC Adv
Ghanavati R, Escobosa AC, Manz TA.
europepmc   +1 more source

Influences of Root Fillet and Dihedral Angle of Bowed Stator Blade on Aerodynamic Performance of Low-Speed Single-Stage Axial Compressor

Masanao Kaneko, Hoshio TSUJITA
openalex   +2 more sources

Can Conformers Be Identified via Cyclic Ion Mobility Mass Spectrometry? Hexosamine Epimers Reveal Ultrastable Ring Structures

Chemistry–Methods, EarlyView.
It was demonstrated how carbohydrate ring structures can be separated and identified using cyclic ion mobility mass spectrometry, making solid‐, solution‐, and gas‐phase structures comparable. In addition, it was determined which collisional cross‐section prediction or calculation method is the best suited for carbohydrates.
Viktória Goldschmidt Gőz, Imre Jákli, István Varga, Zsolt Dürvanger, Veronika Harmat, István Pintér, Gitta Schlosser, András Perczel   +7 more
wiley   +1 more source

Tuning the Inter-Chromophore Electronic Coupling in Perylene Diimide Dimers with Rigid Covalent Linkers. [PDF]

Molecules
Yu G, Gao Y, Li Y, Tian Y, Zhang X, Han Y, Song J, Yang W, Ma X.   +8 more
europepmc   +1 more source

Dynamic Solvent Accessible Surface Areas of Proteogenic a-Amino Acids as a Function of Explored f,y Dihedral Angle Space Modelled using the Ac-Ala-Xaa-Ala-NH2 system and CHARMM36m Force Field

William A. Burns, Sándor Lovas, Charles R. Watts   +2 more
openalex   +1 more source

Exploring the Photophysical Processes of an Al3+ Sensor Based on Schiff Base

ChemPhysChem, EarlyView.
Multiple excited‐state intramolecular proton transfer (ESIPT) processes and twisted intramolecular charge transfer (TICT) states are observed on the S1 state potential energy surface of an Al3+ sensor. The ESIPT process induces an ultrafast CC rotation process and leads to a non‐emissive TICT state.
Bingqing Sun, Haoyang Song, Yi Nan, Lei Liu, Juyoung Yoon   +4 more
wiley   +1 more source

Isotope Engineering of Tetraphenylethylene: Aggregate-Dependent Enhancement of Luminescence Efficiency. [PDF]

Angew Chem Int Ed Engl
Zhang S, Ma F, Jiang J, Wu B, Gong J, Xu G, Li C, Chen T, Kwok RTK, Lam JWY, Zhao Z, Tang BZ.   +11 more
europepmc   +1 more source

UV–Vis Spectra of Carbonic Acid: Rationalizing Experimental Redshifts between Monomer and Bulk based on (H2CO3)n Calculations

ChemPhysChem, EarlyView.
In bulk carbonic acid (e.g., in interstellar icy dust grains) cluster formation produces two distinct UV‐Vis spectral features redshifted by ≈2 eV (25 nm) and by ≈5 eV (80 nm) compared to gas phase single molecule carbonic acid 's adiabatic ionization energy. Theory and experiment were used to investigate the origin of these shifts.
Dennis F. Dinu, Bastian Klein, Chaojiang Zhang, Radu A. Talmazan, Thomas Loerting, Hinrich Grothe, Ralf I. Kaiser, Maren Podewitz   +7 more
wiley   +1 more source