Chiroptical Properties of Amino Acids: A Density Functional Theory Study

Chiroptical Properties of Amino Acids: A Density Functional Theory Study

Amino acids are involved in many scientific theories elucidating possible origins of life on Earth. One of the challenges when discussing the evolutionary origin of biopolymers such as proteins and oligonucleotides in living organisms is the phenomenon that these polymers implement monomers of exclu...

Full description

Bibliographic Details
Main Authors:	Martine Adrian-Scotto, Serge Antonczak, Jan Hendrik Bredehöft, Søren V. Hoffmann, Uwe J. Meierhenrich
Format:	Article
Language:	English
Published:	MDPI AG 2010-04-01
Series:	Symmetry
Subjects:	amino acids homochirality circular dichroism ab initio calculations DFT Boltzman population analysis
Online Access:	http://www.mdpi.com/2073-8994/2/2/935/

Similar Items

Ab Initio Spectroscopic Investigation of Pharmacologically Relevant Chiral Molecules: The Cases of Avibactam, Cephems, and Idelalisib as Benchmarks for Antibiotics and Anticancer Drugs
by: Elena Molteni, et al.
Published: (2021-04-01)

Towards New Chiroptical Transitions Based on Thought Experiments and Hypothesis
by: Takashiro Akitsu, et al.
Published: (2021-06-01)

Photochirogenesis: Photochemical Models on the Origin of Biomolecular Homochirality
by: Cornelia Meinert, et al.
Published: (2010-05-01)

Chiroptical Sensing of Amino Acid Derivatives by Host–Guest Complexation with Cyclo[6]aramide
by: Xuebin Wang, et al.
Published: (2021-07-01)

Molecular characterization of yohimbine hydrochloride using vibrational spectroscopy and quantum chemical calculations
by: Bhawani Datt Joshi, et al.
Published: (2012-01-01)

Central-to-Helical-to-Axial Chirality Transfer in Chiroptical Sensing with Ferrocene Chromophore
by: Marko Nuskol, et al.
Published: (2023-05-01)

Molecular structure, HOMO–LUMO, and NLO studies of some quinoxaline 1,4-dioxide derivatives: Computational (HF and DFT) analysis
by: Vahideh Hadigheh Rezvan
Published: (2024-01-01)

Computational Evaluation of Al-Decorated g-CN Nanostructures as High-Performance Hydrogen-Storage Media
by: Peng Gao, et al.
Published: (2022-07-01)

Structural, Mechanical, Electronic, Optical, and Thermodynamic Properties of New Oxychalcogenide A<sub>2</sub>O<sub>2</sub>B<sub>2</sub>Se<sub>3</sub> (A = Sr, Ba; B = Bi, Sb) Compounds: A First-Principles Study
by: Abdulrahman Mallah, et al.
Published: (2023-01-01)

1,2,4,3-Triazaborole-based neutral oxoborane stabilized by a Lewis acid
by: Loh, Ying Kai, et al.
Published: (2016)

Ab initio calculations of electronic band structure of CdMnS semimagnetic semiconductors
by: M. А. Mehrabova, et al.
Published: (2022-01-01)

Chiroptical Properties and Conformation of Four Lasiocepsin-Related Antimicrobial Peptides: Structural Role of Disulfide Bridges
by: Markéta Pazderková, et al.
Published: (2020-05-01)

Supramolecular Chirality: Solvent Chirality Transfer in Molecular Chemistry and Polymer Chemistry
by: Michiya Fujiki
Published: (2014-08-01)

Structure, MESP and HOMO-LUMO study of 10-Acetyl- 10H-phenothiazine 5-oxide using vibrational spectroscopy and quantum chemical methods
by: Bhawani Datt Joshi, et al.
Published: (2012-12-01)

Structural, Mechanical, Elastic, Electronic, Magnetic and Optical Properties of Spinel Compounds ATi2S4 (A=Ca, Sr and Ba): AB Initio Study
by: Bousahla Mohammed Nadir, et al.
Published: (2023-12-01)

Stereochemical Properties of Two Schiff-Base Transition Metal Complexes and Their Ligand by Using Multiple Chiroptical Spectroscopic Tools and DFT Calculations
by: Guojie Li, et al.
Published: (2023-03-01)

Unequal Behaviour between Hydrolysable Functions of Nirmatrelvir under Stress Conditions: Structural and Theoretical Approaches in Support of Preformulation Studies
by: Philippe-Henri Secretan, et al.
Published: (2022-08-01)

Catalytic Effect of Ti or Pt in a Hexagonal Boron Nitride Surface for Capturing CO<sub>2</sub>
by: J. M. Ramirez-de-Arellano, et al.
Published: (2021-06-01)

Water Radical Cations in the Gas Phase: Methods and Mechanisms of Formation, Structure and Chemical Properties
by: Dongbo Mi, et al.
Published: (2020-07-01)

Quasi-Bound States in the Continuum Enabled Strong Terahertz Chiroptical Response in Bilayer Metallic Metasurfaces
by: Yaolin Hu, et al.
Published: (2022-07-01)

Sulfobutylation of Beta-Cyclodextrin Enhances the Complex Formation with Mitragynine: An NMR and Chiroptical Study
by: Bianka Várnai, et al.
Published: (2022-03-01)

STRUCTURAL, MAGNETIC AND HYPERFINE PROPERTIES OF THE FERRITEMgFe2O4: AN AB-INITIO CALCULATIONS
by: H. H. Medina Chanduví, et al.
Published: (2021-01-01)

Influence of carbon on energetics, electronic structure, and mechanical properties of TiAl alloys
by: Dominik Legut, et al.
Published: (2021-01-01)

Ab initio calculations of indium arsenide in the wurtzite phase: structural, electronic and optical properties
by: Luis C O Dacal, et al.
Published: (2014-01-01)

Tetrahydrofuran (THF)-Mediated Structure of THF·(H<sub>2</sub>O)<i><sub>n</sub></i><sub>=1–10</sub>: A Computational Study on the Formation of the THF Hydrate
by: Jinxiang Liu, et al.
Published: (2019-01-01)

Atomistic modelling of tritium thermodynamics and kinetics in tungsten and its oxides
by: M. Christensen, et al.
Published: (2024-03-01)

The Microstructure of γ-Alumina
by: Natalie M. Stuart, et al.
Published: (2021-10-01)

Ab Initio Study of Chiral Phonons in Ternary YAlSi Compound
by: Surajit Basak, et al.
Published: (2022-03-01)

Understanding the Exchange Interaction between Paramagnetic Metal Ions and Radical Ligands: DFT and Ab Initio Study on Semiquinonato Cu(II) Complexes
by: Aleksandra Ziółkowska, et al.
Published: (2023-02-01)

The observation of oxygen—oxygen interactions in ice
by: Shun Chen, et al.
Published: (2016-01-01)

Amplification of Electronic Circular Dichroism—A Tool to Follow Self-Assembly of Chiral Molecular Capsules
by: Marek P. Szymański, et al.
Published: (2021-11-01)

N‐Doped Octagon‐Containing HBC as Redox and pH Chiroptical Switch in the NIR
by: Dr. Miguel A. Medel, et al.
Published: (2023-09-01)

Atomic structural and electronic bandstructure calculations for borophene
by: Clifford M Krowne, et al.
Published: (2021-01-01)

Mapping the Chiroptical Properties of Local Domains in Thin Films of Chiral Silicon Phthalocyanines by CD Imaging
by: Dora-M. Răsădean, et al.
Published: (2020-12-01)

The Electronic Behavior and Mechanical Characteristics of CuGa5S8
by: Aytaç Erkişi, et al.
Published: (2022-05-01)

Enantiopure Cyclometalated Rh(III) and Ir(III) Complexes Displaying Rigid Configuration at Metal Center: Design, Structures, Chiroptical Properties and Role of the Iodide Ligand
by: Antoine Groué, et al.
Published: (2022-03-01)

SIMULATION OF ELECTRONIC AND MAGNETIC PROPERTIES OF LOW-DIMENSIONAL MATERIALS WITH USE OF FIRST PRINCIPLES METHODS
by: M. S. Zelenina, et al.
Published: (2019-06-01)

Investigation of the thermodynamic, structural, electronic, mechanical and phonon properties of D0c Ru-based intermetallic alloys: an ab-initio study
by: B O Mnisi, et al.
Published: (2024-01-01)

Ab initio calculations for well deformed nuclei: 40Mg and 42Si
by: Q. Yuan, et al.
Published: (2024-01-01)

Electromagnetic moments of the antimony isotopes 112−133Sb
by: S. Lechner, et al.
Published: (2023-12-01)