First-principles study of molecular hydrogen binding to heme in competition with O<sub>2</sub>, NO and CO-Reference-Cited by-同舟云学术

First-principles study of molecular hydrogen binding to heme in competition with O₂, NO and CO

Published:2024 Issue:24 Volume:14 Page:16629-16638
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Ri Yun-Kyong¹,Kim Song-Ae²,Kye Yun-Hyok¹,Jong Yu-Chol³,Kang Myong-Su²,Yu Chol-Jun¹^ORCID

Affiliation:

1. Chair of Computational Materials Design, Faculty of Materials Science, Kim Il Sung University, PO Box 76, Pyongyang, Democratic People's Republic of Korea

2. Institute of Molecular Biology, Faculty of Life Science, Kim Il Sung University, PO Box 76, Pyongyang, Democratic People's Republic of Korea

3. Chair of Chemical Process, Faculty of Chemistry, Kim Il Sung University, PO Box 76, Pyongyang, Democratic People's Republic of Korea

Abstract

First-principles calculations of the structural properties, binding strengths, reaction energies and kinetics for iron-porphyrin complexes with hydrogen atoms and diatomic molecules, including H2, O2, NO and CO, were performed with the B3LYP and 6-311G basis sets.

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/RA/D4RA02091J

Reference50 articles.

1. A New Approach for the Prevention and Treatment of Cardiovascular Disorders. Molecular Hydrogen Significantly Reduces the Effects of Oxidative Stress

2. Hydrogen gas inhibits lung cancer progression through targeting SMC3

3. Molecular Hydrogen Enhances Proliferation of Cancer Cells That Exhibit Potent Mitochondrial Unfolded Protein Response

4. Hydrogen gas distribution in organs after inhalation: Real-time monitoring of tissue hydrogen concentration in rat

5. Molecular hydrogen is a novel antioxidant to efficiently reduce oxidative stress with potential for the improvement of mitochondrial diseases