@article{2c8fe2c290104304ae03cdcd713852d7,
title = "M{\"o}ssbauer spectroscopy as a probe of electric field in heme pocket of deoxyheme proteins: theoretical approach",
abstract = "Chemical reactions taking place in active centers of different enzymes are controlled by electric fields created by the protein in these centers. These electric fields can be experimentally detected by different experimental techniques (infrared absorption, NMR, etc.). In this paper, we use quantum chemical calculations to show that M{\"o}ssbauer spectroscopy can be also used to study protein electric field. We study effect of both the model and protein electric fields on the magnitude of quadrupole splitting of M{\"o}ssbauer spectra of the high-spin ferrous myoglobin and its models. It is shown that the quadrupole splitting is notably affected by the protein electric field. This result also explains a number of the experimental data.",
keywords = "Heme proteins, Hemoglobin, Myoglobin, Porphyrin, Protein dynamics",
author = "Alexandr Gorski and Aleksandr Starukhin and Stavrov, {Solomon S.}",
note = "Publisher Copyright: {\textcopyright} 2017, Akad{\'e}miai Kiad{\'o}, Budapest, Hungary.",
year = "2017",
month = jul,
day = "1",
doi = "10.1007/s10967-017-5294-y",
language = "אנגלית",
volume = "313",
pages = "141--144",
journal = "Journal of Radioanalytical and Nuclear Chemistry",
issn = "0236-5731",
publisher = "Akademiai Kiado ZRt.",
number = "1",
}