Mechanism for the rare fluctuation that powers protein conformational change.

J Chem Phys

Richard Loan and Hill Department of Biomedical Engineering, The University of Illinois at Chicago, 851 South Morgan Street, Chicago, Illinois 60607, USA.

Published: February 2022

Most functional processes of biomolecules are rare events. Key to a rare event is the rare fluctuation that enables the energy activation process that precedes and powers crossing of the activation barrier. However, the physical nature of this rare fluctuation and how it enables energy activation and subsequently barrier crossing are unknown. We developed a novel metric, the reaction capacity p, that rigorously defines the beginning and parameterizes the progress of energy activation. This enabled us to identify the rare fluctuation as a special phase-space condition that is necessary and sufficient for initiating systematic energy flow from the non-reaction coordinates into the reaction coordinates. The energy activation of a prototype biomolecular isomerization reaction is dominated by kinetic energy transferring into and accumulating in the reaction coordinates, administered by inertial forces alone. This mechanism for energy activation is fundamentally different from the mechanism suggested by Kramers theory.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8824576PMC
http://dx.doi.org/10.1063/5.0077444DOI Listing

Publication Analysis

Top Keywords

energy activation
20
rare fluctuation
16
fluctuation enables
8
enables energy
8
reaction coordinates
8
energy
7
activation
6
rare
5
mechanism rare
4
fluctuation
4

Similar Publications

Insight into the Role and Evidence of Oxygen Vacancies in Porous Single-Crystalline Oxide to Enhance Catalytic Activity and Durability.

Research (Wash D C)

September 2023

Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, China.

Introducing and stabilizing oxygen vacancies in oxide catalysts is considered to be a promising strategy for improving catalytic activity and durability. Herein, we quantitatively create oxygen vacancies in the lattice of porous single-crystalline β-GaO monoliths by reduction treatments and stabilize them through the long-range ordering of crystal lattice to enhance catalytic activity and durability. The combination analysis of time-of-flight neutron powder diffraction and extended x-ray absorption fine structure discloses that the preferential generation of oxygen vacancy tends to occur at the site of tetrahedral coordination oxygen ions (O sites), which contributes to the formation of unsaturated Ga-O coordination in the monoclinic phase.

View Article and Find Full Text PDF

Objective: Musculoskeletal symptoms are common among surgical staff and can have long-term implications on health and wellbeing. The purpose of this study is to evaluate the impact of anti-fatigue floor mat on the comfort level of surgical teams during head and neck surgeries lasting ≥ 3 h.

Methods: Over 4 months, we prospectively randomized 34 major (≥ 3 h) head and neck procedures to the use or not of an anti-fatigue floor mat.

View Article and Find Full Text PDF

The suppression of tyrosinase (TYR), a key enzyme in melanogenesis, has been suggested as an effective strategy for preventing melanin accumulation. We previously discovered the novel chrysin derivative hydroxyethyl chrysin (HE-chrysin) through an irradiation technique, which exerted higher anti-inflammatory and anti-cancer activities than original chrysin. In the present study, we explored whether HE-chrysin has antioxidant and anti-melanogenic capacity using B16F10 murine melanoma cells and molecular docking.

View Article and Find Full Text PDF

Methane (CH), which is the main component of natural gas, is an abundant and widely available carbon resource. However, CH has a low energy density of only 36 kJ L under ambient conditions, which is significantly lower than that of gasoline (. 34 MJ L).

View Article and Find Full Text PDF

SARS-CoV-2 CoCoPUTs: analyzing GISAID and NCBI data to obtain codon statistics, mutations, and free energy over a multiyear period.

Virus Evol

January 2025

Hemostasis Branch 1, Division of Hemostasis, Office of Plasma Protein Therapeutics CMC, Office of Therapeutic Products, Center for Biologics Evaluation and Research, Food and Drug Administration, 10903 New Hampshire Ave, Silver Spring, MD 20993, USA.

A consistent area of interest since the beginning of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic has been the sequence composition of the virus and how it has changed over time. Many resources have been developed for the storage and analysis of SARS-CoV-2 data, such as GISAID (Global Initiative on Sharing All Influenza Data), NCBI, Nextstrain, and outbreak.info.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!