Local electronic structure of histidine in aqueous solution
نویسندگان
چکیده
X-Ray spectroscopy coupled with DFT calculations reveals the pH dependent electronic structure of an amino acid in aqueous environment.
منابع مشابه
Gamma-radiolysis of aqueous solution of histidine.
The dependence of Gi(-M) values of histidine on the concentration of irradiated 10(-4) - 10(-1)M solutions, pH and the presence of O2, N2O and sec-butyl alcohol was investigated. In oxygen-free medium the maximum radiation sensitivity of histidine was found at pH 5--8; in oxygenated solutions it was shifted to the 6--1 pH range. The formation of radiation products was also studied. The course o...
متن کاملAn EX AFS Investigation of Local Structure around Rb + in Aqueous Solution
für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...
متن کاملthe role of thematic structure in comprehending spoken language
in fact this study is concerned with the relationship between the variation in thematice structure and the comprehension of spoken language. so the study focused on the following questions: 1. is there any relationship between thematic structure and the comprehension of spoken language? 2. which of the themes would have greated thematic force and be easier for the subjects to comprehend? accord...
15 صفحه اولساختار کلاسهایی از حلقه های z- موضعی و c- موضعی the structure of some classes of z-local and c-local rings
فرض کنیمr یک حلقه تعویض پذیر ویکدار موضعی باشدو(j(r رایکال جیکوبسن r و(z(r مجموعه مقسوم علیه های صفر حلقه r باشد.گوییم r یک حلقه z- موضعی است هرگاه j(r)^2=. .همچنین برای یک حلقه تعویض پذیر r فرض کنیم c یک عنصر ناصفر از (z( r باشد با این خاصیت که cz( r)=0 گوییم حلقه موضعی r یک حلقه c - موضعی است هرگاه و{0 و z(r)^2={cو z(r)^3=0, نیز xz( r)=0 نتیجه دهد که x عضو {c,0 } است. در این پایان نامه ساخ...
Predicting accurate absolute binding energies in aqueous solution: thermodynamic considerations for electronic structure methods.
Recent predictions of absolute binding free energies of host-guest complexes in aqueous solution using electronic structure theory have been encouraging for some systems, while other systems remain problematic. In this paper I summarize some of the many factors that could easily contribute 1-3 kcal mol(-1) errors at 298 K: three-body dispersion effects, molecular symmetry, anharmonicity, spurio...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2021
ISSN: ['1463-9076', '1463-9084']
DOI: https://doi.org/10.1039/d1cp00361e