Results 51 to 60 of about 16,319 (283)

Direct Access to Chiral Piperidines by Enantioselective HAT‐Initiated C(sp3)─H Oxidation

Angewandte Chemie, EarlyView.
The direct desymmetrization of piperidines is achieved through manganese‐catalyzed enantioselective α‐C(sp3)─H oxidation with hydrogen peroxide, affording versatile chiral N,O‐acetals in good yields and with high enantio‐ and diastereoselectivity. These intermediates provide access to diverse functionalized piperidines with retention of chirality ...
Sethuraman Muthuramalingam, Josep M. Luis, Arnau Call, Quentin Lefebvre, Matthew S. Sigman, Miquel Costas   +5 more
wiley   +2 more sources

Theoretical Calculations and Molecular Docking Analysis of 4-(2-(4-Bromophenyl)Hydrazineylidene)-3,5-Diphenyl-4H-Pyrazole Molecule

Journal of Advanced Research in Natural and Applied Sciences
The molecular structure of 4-(2-(4-bromophenyl)hydrazineylidene)-3,5-diphenyl-4h-pyrazole (BHDH) molecule, which is a pyrazole derivative, was investigated theoretically using the Gaussian 09 program according to the Moller-Plesset (MP2) method.
Kenan Gören, Mehmet Bağlan, Veysel Tahiroğlu, Ümit Yıldıko   +3 more
doaj   +1 more source

Theoretical Study of Heteroatom Resonance-Assisted Hydrogen Bond: Effect of Substituent on π-delocalization [PDF]

Iranian Journal of Chemistry & Chemical Engineering, 2010
The concept of Resonance Assisted Hydrogen Bond (RAHB), which usually occurs in b diketons, has a remarkable role in chemistry. These molecules, which contain heteroatom particularly O and N, are species with biological interest in protein folding and ...
Ali Heydar Pakiari, Maryam Farrokhnia
doaj  

Quantum Chemical Benchmark Study on Valdecoxib, a Potent and Selective Inhibitor of COX-2, and its Hydroxylated Derivative

Cumhuriyet Science Journal, 2022
In this work, quantum chemical calculations were performed on valdecoxib (VLB), a highly selective and potent COX-2 inhibitor, and its hydroxylated derivative (1H-VLB), an active metabolite.
Öznur Doğan Ulu, Sümeyya Serin
doaj   +1 more source

Emerging Post‐CMOS Hardware Neurons for Brain‐Inspired Computing: Devices, Circuits, and System Integration

Advanced Functional Materials, EarlyView.
The physical realization of artificial neurons is a critical challenge for energy‐efficient neuromorphic computing. This review presents a comprehensive analysis of the evolution of artificial neuron implementations from conventional CMOS to emerging post‐CMOS technologies.
Kannan Udaya Mohanan, Hocheon Yoo, Benoît H. Lessard, Ioannis Kymissis, Chang‐Hyun Kim   +4 more
wiley   +1 more source

[O─I─O]+ Halogen‐Bonded Complexes of Pyridine N‐Oxides

Angewandte Chemie, EarlyView.
The missing puzzle of 3‐center‐4‐electron halogen‐bonded complexes viz. [O─I─O]+ of pyridine N‐oxides are structurally characterized by x‐ray diffraction. Monodentate N‐oxide O‐atom acts as the halogen bond acceptor. Their solution complexations are characterized by 15N NMR spectroscopy.
Rakesh Puttreddy, Sergi Burguera, Antonio Frontera, Kari Rissanen   +3 more
wiley   +2 more sources

STEM video of electronically-driven metal-insulator transitions in nanoscale NbO 2 devices [PDF]

, 2016
STEM video of electronically-driven metal-insulator transitions in nanoscale NbO 2 ...
David Lederman (1410430), B.C. Regan (7171523), William A. Hubbard (1438390), Toyanath Joshi (7170335), Pavel Borisov (3204882)   +4 more
core   +5 more sources

Le Newborn Behavioral Observations System (NBO) = The Newborn Behavioral Observations system (NBO)

, 2018
La naissance d’un bébé offre aux cliniciens une occasion unique de procurer du soutien aux parents à un moment où ils peuvent se sentir anxieux, seuls et vulnérables.
Blanchard, Yvette
core   +1 more source

Ti‐Doping Activates Adjacent Zr Sites in Bimetallic MOFs for Cooperative Phospholipid Removals in Human Biomonitoring

Advanced Science, EarlyView.
Ti‐doped Zr/Ti bimetallic MOFs activate neighboring Zr sites to selectively capture phospholipids from serum through cooperative interactions. In nontargeted screening, the material minimizes matrix interference, expands detectable feature coverage, and enables broad recovery of diverse chemical hazards, providing a powerful cleanup strategy for LC ...
Yanmin Liang, Hongyue Ma, Feier Bai, Jing Zhang, Yan Qi, Bing Shao   +5 more
wiley   +1 more source

Ambiphilic Ligand Stabilization of Aluminum(I) Fragments: Halides, Cations, and a Hydride

Angewandte Chemie, EarlyView.
Stabilization of elusive aluminum(I) halides in the framework of an ambiphilic ligand is reported. The unique bonding situation at the trigonal‐bipyramidal aluminum center is analyzed, and the coordination chemistry and Al(I)Br transfer reactivity of the complexes are presented.
Charlotte S. V. Weiß, Philipp Dabringhaus   +1 more
wiley   +2 more sources