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Orbital Polarization-Dependent Fragment Twist-Induced Intramolecular Electric-Field-Driven Charge Transfer.
Publication Type: Academic Journal
Source(s): Molecules (Basel, Switzerland) [Molecules] 2023 Feb 14; Vol. 28 (4). Date of Electronic Publication: 2023 Feb 14.
Abstract: Defects, such as twisting, in fused aromatic hydrocarbons disrupt the plane of the π orbital. The twisted structure induces an electric field in the system and affects the spectra. In this work, theoretical studies show that the intramolecular electric...
Geometry of Charge Density as a Reporter on the Role of the Protein Scaffold in Enzymatic Catalysis: Electrostatic Preorganization and Beyond.
Publication Type: Academic Journal
Source(s): Journal of chemical theory and computation [J Chem Theory Comput] 2023 Feb 14; Vol. 19 (3), pp. 694-704. Date of Electronic Publication: 2022 Dec 23.
Abstract: Enzymes host active sites inside protein macromolecules, which have diverse, often incredibly complex, and atom-expensive structures. It is an outstanding question what the role of these expensive scaffolds might be in enzymatic catalysis. Answering th...
Positive charge in the K-loop of the kinesin-3 motor KIF1A regulates superprocessivity by enhancing microtubule affinity in the one-head-bound state.
Publication Type: Academic Journal
Source(s): The Journal of biological chemistry [J Biol Chem] 2023 Feb; Vol. 299 (2), pp. 102818. Date of Electronic Publication: 2022 Dec 20.
Abstract: KIF1A is an essential neuronal transport motor protein in the kinesin-3 family, known for its superprocessive motility. However, structural features underlying this function are unclear. Here, we determined that superprocessivity of KIF1A dimers origin...
Charge neutralization of the active site glutamates does not limit substrate binding and transport by small multidrug resistance transporter EmrE.
Publication Type: Academic Journal
Source(s): The Journal of biological chemistry [J Biol Chem] 2023 Feb; Vol. 299 (2), pp. 102805. Date of Electronic Publication: 2022 Dec 16.
Abstract: EmrE, a small multidrug resistance transporter from Escherichia coli, confers broad-spectrum resistance to polyaromatic cations and quaternary ammonium compounds. Previous transport assays demonstrate that EmrE transports a +1 and a +2 substrate with t...
Local Electric Fields: From Enzyme Catalysis to Synthetic Catalyst Design.
Publication Type: Academic Journal
Source(s): The journal of physical chemistry. B [J Phys Chem B] 2022 Dec 15; Vol. 126 (49), pp. 10285-10294. Date of Electronic Publication: 2022 Dec 05.
Abstract: This Mini-Review Article outlines recent advances in the study of local electric field (LEF) governed enzyme catalysis and the application of the LEF principle in synthetic catalyst design. We start by discussing the electrostatics principles that driv...
Simple Estimate of the Potential Drop across an Amphiprotic Liquid-Liquid Interface.
Publication Type: Academic Journal
Source(s): The journal of physical chemistry. B [J Phys Chem B] 2022 Oct 13; Vol. 126 (40), pp. 8112-8118. Date of Electronic Publication: 2022 Oct 04.
Abstract: Two immiscible liquids in contact with each other can have different internal electrostatic potentials. An associated electric double layer (EDL) therefore exists within each liquid. For amphiprotic liquids, the exchange of protons between the two liqu...
Arbitrary-Shape Dielectric Particles Interacting in the Linearized Poisson-Boltzmann Framework: An Analytical Treatment.
Publication Type: Academic Journal
Source(s): The journal of physical chemistry. B [J Phys Chem B] 2022 Dec 15; Vol. 126 (49), pp. 10400-10426. Date of Electronic Publication: 2022 Dec 06.
Abstract: This work considers the interaction of two dielectric particles of arbitrary shape immersed into a solvent containing a dissociated salt and assuming that the linearized Poisson-Boltzmann equation holds. We establish a new general spherical re-expansio...
Microwave Susceptibility Observation of Interacting Many-Body Andreev States.
Publication Type: Academic Journal
Source(s): Physical review letters [Phys Rev Lett] 2022 Nov 23; Vol. 129 (22), pp. 227701.
Abstract: Electrostatic charging affects the many-body spectrum of Andreev states, yet its influence on their microwave properties has not been elucidated. We developed a circuit quantum electrodynamics probe that, in addition to transition spectroscopy, measure...
Self-Consistent Description of Vapor-Liquid Interface in Ionic Fluids.
Publication Type: Academic Journal
Source(s): Physical review letters [Phys Rev Lett] 2022 Nov 23; Vol. 129 (22), pp. 228001.
Abstract: Inhomogeneity of ion correlation widely exists in many physicochemical, soft matter, and biological systems. Here, we apply the modified Gaussian renormalized fluctuation theory to study the classic example of the vapor-liquid interface of ionic fluids...
Multiplying the Stable Electrostatic Field of Electret Based on the Heterocharge-Synergy and Superposition Effect.
Publication Type: Academic Journal
Source(s): Advanced science (Weinheim, Baden-Wurttemberg, Germany) [Adv Sci (Weinh)] 2022 Nov; Vol. 9 (32), pp. e2203150. Date of Electronic Publication: 2022 Sep 15.
Abstract: Owing to magic charge storage behavior, an electret can exhibit an external electrostatic field, which is widely used in numerous domains such as electronics, energy, healthcare, and environment. However, the theory of the charge storage mechanism stil...