Results 61 to 70 of about 7,785 (240)
Conformational and stereoelectronic investigation of tryptamine. An AIM/NBO study
Journal of Molecular Modeling, 2011 Due to the free radical scavenger properties of Tryptamine (TRA), as well as of others indole derivatives, it is in our interest to explore deeply the stereoelectronic aspects that would be relevant in their stabilization and antioxidant activity.
Lobayan, Rosana M. +3 more
openaire +4 more sources
Borylcyclopropanes: Synthetic Strategies and Applications
Angewandte Chemie, EarlyView.Borylcyclopropanes (cyclopropanes bearing a boron substituent) sit at the intersection of two privileged frameworks in synthesis. This review provides the first exhaustive survey of their chemistry, spanning metal–carbene, nucleophilic cyclization, radical, hydroboration, and C─H activation routes, and documenting applications in medicinal chemistry ...
Aiza A. Butt, Joseph M. Ready
wiley +2 more sources
Azole γ‐Peptides Helix Switching via Heterocycle Substitutions
Angewandte Chemie, EarlyView.Heterocycle substitution in azole‐based γ‐amino acids enables control over the helical shape of heterocyclic γ‐peptides. S↔N permutation in thiazole residues switches a canonical 9‐helix into a flexible helix exhibiting discontinuous hydrogen bonding.
Samantha Chaise +10 more
wiley +2 more sources
Journal of Immunology Research, 2021 Background. Currently, both clavicular bacterial osteomyelitis (BO) and nonbacterial osteitis (NBO) remain not well understood owing to their much lower incidences. This study is aimed at summarizing similarities and differences between clavicular BO and
Nan Jiang +4 more
doaj +1 more source
Computed Structures, Torsional Scans and NBOs
, 2023 -Transition state and minimized structures-Torsional scan data and raw data tables-Natural bond orbital cube files and formatted Gaussian checkpoint file for NBO ...
openaire +1 more source
Macedonian Journal of Chemistry and Chemical Engineering, 2017 Theoretical and experimental FT-IR and FT-Raman vibrational spectral analysis of 6-[(2-methylphenyl)sulfanyl]-5-propylpyrimidine-2,4(1H,3H)-dione have been recorded in the region 4000-400 cm-1 and 4000-100 cm-1 insolid phase.
Haitham AlRabiah +6 more
doaj +1 more source
The role of non-covalent interactions in the solvation dynamics of metronidazole in water: A theoretical study [PDF]
Journal of the Serbian Chemical SocietyMetronidazole, the medicine with the brand name Flagyl, is used to treat the gastrointestinal infection and the activity against anaerobic bacteria like protozoa.
Kumar Sumit +3 more
doaj +1 more source
Cumhuriyet Science Journal, 2017 This work dealt with theinvestigation of the methyl 9H-pyrido[3,4-b]indole-3-carboxylate (Basiccompound) and its C1-substituted derivatives to search for the best substituentgroup that enhances the chemical reactivity behavior of the Basic compound ...
Mustafa Elik, Goncagül Serdaroğlu
doaj +1 more source
Energies, 2019 Lithium-ion batteries are widely available commercially and attempts to extend the lifetime of these batteries remain necessary. The energy storage characteristics of NbO2 with a rutile structure as a material for the negative electrode of lithium-ion ...
Yang-Soo Kim +3 more
doaj +1 more source
Novel Schiff Bases of Pyrrole: Synthesis, Experimental and Theoretical Characterizations, Fluorescent Properties and Molecular Docking [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2018 Some new Schiff-base compounds based on pyrrole were synthesized by the reaction of 2-amino-1-methyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile (1)with aromatic aldehydes (2a-2e) in ethanol/acetic acid at room temperature.
Maryam Khashi +2 more
doaj