Cargando…

(15)N NMR Shifts of Eumelanin Building Blocks in Water: A Combined Quantum Mechanics/Statistical Mechanics Approach

Theoretical results for the magnetic shielding of protonated and unprotonated nitrogens of eumelanin building blocks including monomers, dimers, and tetramers in gas phase and water are presented. The magnetic property in water was determined by carrying out Monte Carlo statistical mechanics samplin...

Descripción completa

Detalles Bibliográficos
Autores principales:	Assis Oliveira, Leonardo Bruno, L. Fonseca, Tertius, Cabral, Benedito J. C.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2020
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7465604/ https://www.ncbi.nlm.nih.gov/pubmed/32784827 http://dx.doi.org/10.3390/molecules25163616

Ejemplares similares

The Supramolecular Buildup of Eumelanin: Structures, Mechanisms, Controllability
por: Büngeler, Anne, et al.
Publicado: (2017)

The photoprotection mechanism in the black–brown pigment eumelanin
por: Ilina, Aleksandra, et al.
Publicado: (2022)

Deciphering Molecular Mechanisms of Interface Buildup and Stability in Porous Si/Eumelanin Hybrids
por: Pinna, Elisa, et al.
Publicado: (2017)

The photoreactive free radical in eumelanin
por: Mostert, Albertus B., et al.
Publicado: (2018)

Bioinspired hybrid eumelanin–TiO(2) antimicrobial nanostructures: the key role of organo–inorganic frameworks in tuning eumelanin's biocide action mechanism through membrane interaction
por: Vitiello, Giuseppe, et al.
Publicado: (2018)

Photovoltaic properties of PSi impregnated with eumelanin
por: Mula, Guido, et al.
Publicado: (2012)

Colored Surfaces Made of Synthetic Eumelanin
por: Marcelo, Gema, et al.
Publicado: (2021)

Quantum statistical mechanics
por: Meijer, Paul Herman E
Publicado: (1966)

Quantum statistical mechanics
por: Schieve, William C, et al.
Publicado: (2009)

Introduction to quantum statistical mechanics
por: Bogolyubov, N N, et al.
Publicado: (1982)

Introduction to quantum statistical mechanics
por: Bogolyubov, N N, et al.
Publicado: (2010)

Annotations to quantum statistical mechanics
por: Kim, In-Gee
Publicado: (2018)

Nonlinear microscopy of eumelanin and pheomelanin with sub-cellular resolution
por: Simpson, Mary Jane, et al.
Publicado: (2013)

Prominent Roles and Conflicted Attitudes of Eumelanin in the Living World
por: Terranova, Maria Letizia
Publicado: (2023)

Fungi as a source of eumelanin: current understanding and prospects
por: Beeson, William, et al.
Publicado: (2023)

Eumelanin Precursor 2-Carboxy-5,6-Dihydroxyindole (DHICA) as Doping Factor in Ternary (PEDOT:PSS/Eumelanin) Thin Films for Conductivity Enhancement
por: Migliaccio, Ludovico, et al.
Publicado: (2020)

Temperature dependence of NMR chemical shifts: Tracking and statistical analysis
por: Trainor, Kyle, et al.
Publicado: (2019)

The thermodynamic pressure in quantum statistical mechanics
por: Robinson, Derek W
Publicado: (1971)

Statistical mechanics of quantum spin systems
por: Robinson, D W
Publicado: (1967)

Foundations of classical and quantum statistical mechanics
por: Jancel, Raymond, et al.
Publicado: (1969)

Operator algebras and quantum statistical mechanics
por: Bratteli, Ola, et al.
Publicado: (1981)

Operator algebras and quantum statistical mechanics
por: Bratteli, Ola, et al.
Publicado: (1997)

Introductory Applied Quantum and Statistical Mechanics
por: Hagelstein, Peter L, et al.
Publicado: (2004)

The statistical mechanics of quantum lattice systems
por: Kondratiev, Yuri, et al.
Publicado: (2009)

Solved Problems in Quantum and Statistical Mechanics
por: Cini, Michele, et al.
Publicado: (2012)

Probability distributions in quantum statistical mechanics
por: Kon, Mark A
Publicado: (1985)

Stereochemistry of Complex Marine Natural Products by Quantum Mechanical Calculations of NMR Chemical Shifts: Solvent and Conformational Effects on Okadaic Acid
por: Domínguez, Humberto J., et al.
Publicado: (2014)

Quantum statistical mechanics : green's function methods in equilibrium and nonequilibrium problems /
por: Kadanoff, Leo P.
Publicado: (1962)

Polydopamine and eumelanin molecular structures investigated with ab initio calculations
por: Chen, Chun-Teh, et al.
Publicado: (2017)

Eumelanin and pheomelanin are predominant pigments in bumblebee (Apidae: Bombus) pubescence
por: Polidori, Carlo, et al.
Publicado: (2017)

Probing the heterogeneous structure of eumelanin using ultrafast vibrational fingerprinting
por: Grieco, Christopher, et al.
Publicado: (2020)

A nanoscale study of the structure and electrical response of Sepia eumelanin
por: Niyonkuru, Dieudonné, et al.
Publicado: (2023)

Anomalous evolution of broadband optical absorption reveals dynamic solid state reorganization during eumelanin build-up in thin films
por: Bonavolontà, Carmela, et al.
Publicado: (2017)

Isotope-Labeled RNA Building Blocks for NMR Structure and Dynamics Studies
por: Olenginski, Lukasz T., et al.
Publicado: (2021)

A (13)C-detected (15)N double-quantum NMR experiment to probe arginine side-chain guanidinium (15)N(η) chemical shifts
por: Mackenzie, Harold W., et al.
Publicado: (2017)

Introduction to relativistic statistical mechanics: classical and quantum
por: Hakim, Rémi
Publicado: (2011)

Symposium on Quantum Field Theory and Statistical Mechanics
Publicado: (1992)

Anyons: quantum mechanics of particles with fractional statistics
por: Lerda, Alberto
Publicado: (1992)

Conference on Statistical Mechanics and Quantum Field Theory
Publicado: (1994)

Statistical mechanics of quantum spin systems, 3
por: Landford, O E, et al.
Publicado: (1968)

Cannot write session to /tmp/vufind_sessions/sess_45v87dtgojnj52o0njoq0d1698