IR Cavity Ringdown Spectroscopy and Density Functional Theory for Jet-Cooled Pyrrole-Cyclopentanone Binary Clusters: Effect of Pseudorotation on N-H···O═C Hydrogen Bonds

The Journal of Physical Chemistry. a
Yoshiteru Matsumoto, Kenji Honma

Abstract

The geometry and energetics of the N-H···O═C hydrogen bond (H-bond) are important to understand the stability and flexibility of biomolecules, such as protein and DNA. Jet-cooled pyrrole-cyclopentanone (Py-Cp) binary clusters are appropriate models to investigate the N-H···O═C H-bond from a microscopic point of view. In this study, NH stretching vibrations of the Py-Cp binary clusters were observed by IR cavity ringdown spectroscopy. Furthermore, density functional theory calculations revealed geometric structures, harmonic vibrations, intermolecular energies, and donor-acceptor interactions for various sizes of binary clusters. The IR spectra of the Py-Cp binary clusters were measured under various conditions of the vapor pressures of Py and Cp in He buffer gas for a supersonic expansion. The dependence of the IR band intensities on the vapor pressure provides vibrational assignments of the NH stretching vibrations, which were reproduced by calculated frequencies of Py1-Cp1, Py1-Cp2, and Py2-Cp1. An admixture of Ar in He buffer gas for a supersonic expansion was also applied to produce Py1-Cp2 in order to differentiate several NH stretches of isomeric structures due to the pseudorotation of Cp molecules. Py1-Cp1 is formed by t...Continue Reading

References

May 1, 1997·Protein Science : a Publication of the Protein Society·J A Schellman, C G Schellman
Apr 1, 1951·Proceedings of the National Academy of Sciences of the United States of America·L PAULINGH R BRANSON
Nov 1, 1951·Proceedings of the National Academy of Sciences of the United States of America·L Pauling, R B Corey
Apr 14, 2007·The Journal of Chemical Physics·Corey A RiceMartin A Suhm
Jul 25, 1980·Science·F H Stillinger
Nov 21, 2007·The Journal of Chemical Physics·Yoshiteru Matsumoto, Kenji Honma
May 10, 2008·Physical Chemistry Chemical Physics : PCCP·Ingo DausterMartin A Suhm
Jan 31, 2009·Journal of the American Chemical Society·Timothy D VadenLavina C Snoek
Mar 7, 2005·Physical Chemistry Chemical Physics : PCCP·Corinna EmmeluthManuel Yáñez
May 15, 2010·The Journal of Physical Chemistry. a·Shu-Hei UrashimaHiroyuki Saigusa
Jun 5, 2013·Physical Chemistry Chemical Physics : PCCP·M A Suhm, F Kollipost
Oct 11, 2016·Physical Chemistry Chemical Physics : PCCP·Anja PoblotzkiMartin A Suhm

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.