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Accessing Different Protein Conformer Ensembles with Tunable Capillary Vibrating Sharp-Edge Spray Ionization.
J Phys Chem B
January 2025
Department of Chemistry, West Virginia University, Morgantown, West Virginia 26506, United States.
Capillary vibrating sharp-edge spray ionization (cVSSI) has been used to control the droplet charging of nebulized microdroplets and monitor effects on protein ion conformation makeup as determined by mass spectrometry (MS). Here it is observed that the application of voltage results in noticeable differences to the charge state distributions (CSDs) of ubiquitin ions. The data can be described most generally in three distinct voltage regions: Under low-voltage conditions (<+200 V, LV regime), low charge states (2+ to 4+ ions) dominate the mass spectra.
View Article and Find Full Text PDFA protocol for the investigation of the intramolecular vibrational energy redistribution problem: the isomerization of nitrous acid as a case of study.
Phys Chem Chem Phys
January 2025
Institute of Chemistry, Department of Fundamental Chemistry, University of São Paulo, Av. Prof. Lineu Prestes, 748 - Butantã, São Paulo, 05508-900, Brazil.
The conformational isomerization of nitrous acid (HONO) promoted by excitation of the or stretching normal coordinates is the first observed case of an infrared-induced photochemical reaction. The energy captured by the excited normal modes is redistributed into a highly excited vibrational level of the torsion normal coordinate, which is the isomerization reaction coordinate. Herein, we present simple numerical methods to qualitatively investigate the coupling between the normal coordinates and the possible gateways for vibrational energy redistribution leading to the isomerization process.
View Article and Find Full Text PDFInsulator-metal transition in VO film on sapphire studied by broadband dielectric spectroscopy.
Sci Rep
January 2025
Prokhorov General Physics Institute of the Russian Academy of Sciences, Moscow, 119991, Russia.
Vanadium dioxide ([Formula: see text]) is a favorable material platform of modern optoelectronics, since it manifests the reversible temperature-induced insulator-metal transition (IMT) with an abrupt and rapid changes in the conductivity and optical properties. It makes possible applications of such a phase-change material in the ultra-fast optoelectronics and terahertz (THz) technology. Despite the considerable interest to this material, data on its broadband electrodynamic response in different states are still missing in the literature.
View Article and Find Full Text PDFWater-mediated ion transport in an anion exchange membrane.
Nat Commun
January 2025
Pritzker School of Molecular Engineering, University of Chicago, Chicago, IL, USA.
Water is a critical component in polyelectrolyte anion exchange membranes (AEMs). It plays a central role in ion transport in electrochemical systems. Gaining a better understanding of molecular transport and conductivity in AEMs has been challenged by the lack of a general methodology capable of capturing and connecting water dynamics, water structure, and ionic transport over time and length scales ranging from those associated with individual bond vibrations and molecular reorientations to those pertaining to macroscopic AEM performance.
View Article and Find Full Text PDFStudy on the Influence of External Electric Field Control and Vibrational Quantum Effect on the Charge Separation Mechanism in Fullerene-Based Systems.
J Phys Chem A
January 2025
College of Physics, Liaoning University, Shenyang 110036, China.
Based on the DCV-C system of fullerene acceptor organic solar cell active materials, the charge transfer process of D-A type molecular materials under the action of an external electric field () was explored. Within the range of electric field application, the excited state characteristics exhibit certain regular changes. Based on reducing the excitation energy, the excitation mode shows a trend of developing toward low excited states.
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