The Role of Torsional Dynamics on Hole and Exciton Stabilization in π‐Stacked Assemblies: Design of Rigid Torsionomers of a Cofacial Bifluorene [PDF]
, 2018 Exciton and charge delocalization across π‐stacked assemblies is of importance in biological systems and functional polymeric materials. To examine the requirements for exciton and hole stabilization, cofacial bifluorene (F2) torsionomers were designed ...
Cai, Jin-Zhe +6 more
core +2 more sources
Effects of excluded volume on the electrolyte distribution around a charged sphere [PDF]
, 1993 A recently developed method is used to calculate the main effects of excluded volume on the distribution of ions around a charged central sphere in thermal equilibrium.
Strating, P., Wiegel, F.W.
core +3 more sources
Evidence for the weak steric hindrance scenario in the supercooled-state reorientational dynamics
, 2005 We use molecular-dynamics computer simulations to study the translational and reorientational dynamics of a glass-forming liquid of dumbbells. For sufficiently elongated molecules the standard strong steric hindrance scenario for the rotational dynamics ...
Angel J. Moreno +4 more
core +1 more source
Syntheses and Steric Hindrances in 13β-Isopropylgonanes
Chemical and Pharmaceutical Bulletin, 1965 dl-18, 18-Dimethylestradiol 3-methyl ether (XII), dl-18, 18-dimethyl-19-nortestosterone (II) and their derivatives were synthesized starting from 1-vinyl-6-methoxy-1-tetralol (III) and 2-isopropyl-1, 3-crclopentanedione (IV). The steric effect of the 13-isopropyl group over 17-position was observed in every kind of reactions in this series. Both II and
K, Hiraga, T, Asako, T, Miki
openaire +2 more sources
CXLVIII.—Steric hindrance in the naphthalene series [PDF]
J. Chem. Soc., Trans., 1906 n ...
openaire +2 more sources
Structural biology of ferritin nanocages
FEBS Letters, EarlyView.Ferritin is a conserved iron‐storage protein that sequesters iron as a ferric mineral core within a nanocage, protecting cells from oxidative damage and maintaining iron homeostasis. This review discusses ferritin biology, structure, and function, and highlights recent cryo‐EM studies revealing mechanisms of ferritinophagy, cellular iron uptake, and ...
Eloise Mastrangelo, Flavio Di Pisa
wiley +1 more source
Transferring Axial Molecular Chirality Through a Sequence of On-Surface Reactions
, 2020 Fine management of chiral processes on solid surfaces has progressed over the years, yet still faces the need for the controlled and selective production of advanced chiral materials.
Berdonces-Layunta, Alejandro +8 more
core +1 more source
Physical mechanism of anisotropic sensitivity in pentaerythritol tetranitrate from compressive-shear reaction dynamics simulations [PDF]
, 2010 We propose computational protocol (compressive shear reactive dynamics) utilizing the ReaxFF reactive force field to study chemical initiation under combined shear and compressive load.
Goddard, William A., III +4 more
core +1 more source
FEBS Letters, EarlyView.This study reveals a unique active site enriched in methionine residues and demonstrates that these residues play a critical role by stabilizing carbocation intermediates through novel sulfur–cation interactions. Structure‐guided mutagenesis further revealed variants with significantly altered product profiles, enhancing pseudopterosin formation. These
Marion Ringel +13 more
wiley +1 more source
Reorientational relaxation of a linear probe molecule in a simple glassy liquid
, 1999 Within the mode-coupling theory (MCT) for the evolution of structural relaxation in glass-forming liquids, correlation functions and susceptibility spectra are calculated characterizing the rotational dynamics of a top-down symmetric dumbbell molecule ...
A. P. Singh +41 more
core +2 more sources