Results 21 to 30 of about 11,302,873 (322)

para-Selective C-H amidation of simple arenes with nitriles [PDF]

open access: yes, 2015
A para-selective C-H amidation of simple arenes with nitriles has been developed. By increasing the amount of arenes, a further meta-selective C-H arylation of the produced amides occurred.
Allen   +59 more
core   +2 more sources

Steric effects in adsorption of ions from mixed electrolytes into microporous carbon [PDF]

open access: yes, 2012
With the goal to improve the capacitance in electrochemical double-layer capacitors (EDLCs) many studies on pore size/ion size relationship have been undertaken to achieve a better understanding of the charge storage mechanism in the electrochemical ...
Gogotsi, Yury   +4 more
core   +3 more sources

Steric and Electronic Effects in Gold N‐Heterocyclic Carbene Complexes Revealed by Computational Analysis

open access: yesChemistryOpen, 2019
A computational analysis of a series of cationic and neutral gold imidazolylidene and benzimidizolylidene complexes is reported. The Bond Dissociation Energies of the various ligands in the complexes calculated at the PBE0‐D3/def2‐TZVP level of theory ...
Sunel de Kock   +2 more
doaj   +1 more source

Does the Intra‐Atomic Deformation Energy of Interacting Quantum Atoms Represent Steric Energy?

open access: yesChemistryOpen, 2019
We show that the mutual, through‐space compression of atomic volume experienced by approaching topological atoms causes an exponential increase in the intra‐atomic energy of those atoms, regardless of approach orientation. This insight was obtained using
Benjamin C. B. Symons   +4 more
doaj   +1 more source

Bi-steric mTORC1 inhibitors induce apoptotic cell death in tumor models with hyperactivated mTORC1

open access: yesThe Journal of Clinical Investigation, 2023
The PI3K/AKT/mTOR pathway is commonly dysregulated in cancer. Rapalogs exhibit modest clinical benefit, likely owing to their lack of effects on 4EBP1. We hypothesized that bi-steric mTORC1-selective inhibitors would have greater potential for clinical ...
Heng Du   +8 more
doaj   +1 more source

A Computational Evaluation of the Steric and Electronic Contributions in Stereoselective Olefin Polymerization with Pyridylamido-Type Catalysts

open access: yesMolecules, 2023
A density functional theory (DFT) study combined with the steric maps of buried volume (%VBur) as molecular descriptors and an energy decomposition analysis through the ASM (activation strain model)–NEDA (natural energy decomposition analysis) approach ...
Olga D’Anania   +2 more
doaj   +1 more source

Transcriptome-Wide Off-Target Effects of Steric-Blocking Oligonucleotides

open access: yesbioRxiv, 2020
Steric-blocking oligonucleotides (SBOs) are short, single-stranded nucleic acids designed to modulate gene expression by binding to mRNA and blocking access from cellular machinery such as splicing factors.
Erle M. Holgersen   +17 more
semanticscholar   +1 more source

Alkene selenenylation: A comprehensive analysis of relative reactivities, stereochemistry and asymmetric induction, and their comparisons with sulfenylation

open access: yesBeilstein Journal of Organic Chemistry, 2011
A broad perspective of various factors influencing alkene selenenylation has been developed by concurrent detailed analysis of key experimental and theoretical data, such as asymmetric induction, stereochemistry, relative reactivities, and comparison ...
Vadim A. Soloshonok, Donna J. Nelson
doaj   +1 more source

Density Functional Studies on Secondary Amides: Role of Steric Factors in Cis/Trans Isomerization

open access: yesMolecules, 2018
Cis/trans isomerization of amide bonds is a key step in a wide range of biological and synthetic processes. Occurring through C-N amide bond rotation, it also coincides with the activation of amides in enzymatic hydrolysis.
Balmukund S. Thakkar   +2 more
doaj   +1 more source

Islands of conformational stability for Filopodia [PDF]

open access: yes, 2013
Filopodia are long, thin protrusions formed when bundles of fibers grow outwardly from a cell surface while remaining closed in a membrane tube.
A Mogilner   +21 more
core   +2 more sources

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