Structural and Vibrational Properties of Amino Acids from Composite Schemes and Double-Hybrid DFT: Hydrogen Bonding in Serine as a Test Case

2021 ◽  
Author(s):  
Mingzhu Sheng ◽  
Filippo Silvestrini ◽  
Malgorzata Biczysko ◽  
Cristina Puzzarini
Keyword(s):  
Amino Acids ◽  
Hydrogen Bonding ◽  
Vibrational Properties ◽  
Test Case

scholarly journals Hydrogen bonding in melamine compounds of amino acids

2014 ◽  
Vol 70 (a1) ◽  
pp. C534-C534
Author(s):  
Nasreddine Ghouari ◽  
Nourreedine Benali-Cherif
Keyword(s):  
Amino Acids ◽  
Hydrogen Bonding ◽  
Nitric Acid ◽  
Organic Cation ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hybrid Compounds ◽  
Amino Butyric Acid ◽  
3D Network ◽  
Bonding Electron

The theme of this work is part of the study of intermolecular interactions that hold the crystal structures of hybrid compounds based sulphuric acid, nitric acid, Melamine, Diethylamine, L-(+) - glutamic acid, DL-2-amino butyric acid. The aim of this work is to enlarge our laboratory researches [1-3] and methods in synthesis of new hybrid compounds consisting in organic cation(s) and mineral anion(s). We have obtained single crystals of a few samples after several trials and we plan to synthesize and characterize these crystals by X-ray diffraction, FTIR and Raman. The crystals structures allow us to study the 3D network hydrogen bonding, electron density and collect several other informations useful in FTIR and Raman studies of these hybrid compounds.

Pyrazole amino acids: hydrogen bonding directed conformations of 3-amino-1H-pyrazole-5-carboxylic acid residue

2017 ◽  
Vol 23 (9) ◽  
pp. 716-726 ◽  
Author(s):  
Anna Kusakiewicz-Dawid ◽  
Monika Porada ◽  
Wioletta Ochędzan-Siodłak ◽  
Małgorzata A. Broda ◽  
Maciej Bujak ◽  
...  
Keyword(s):  
Amino Acids ◽  
Hydrogen Bonding ◽  
Carboxylic Acid

X-ray studies on crystalline complexes involving amino acids and peptides. XL. Conformational variability, recurring and new features of aggregation, and effect of chirality in the malonic acid complexes of DL- and L-arginine

2002 ◽  
Vol 58 (6) ◽  
pp. 1051-1056 ◽  
Author(s):  
N. T. Saraswathi ◽  
M. Vijayan
Keyword(s):  
Amino Acids ◽  
Hydrogen Bonding ◽  
Amino Acid ◽  
Crystal Structures ◽  
Malonic Acid ◽  
Conformational Flexibility ◽  
X Ray ◽  
Conformational Variability ◽  
Aggregation Pattern ◽  
Positively Charged

The crystal structures of the complexes of malonic acid with DL- and L-arginine, which contain positively charged argininium ions and negatively charged semimalonate ions, further demonstrate the conformational flexibility of amino acids. A larger proportion of folded conformations than would be expected on the basis of steric consideration appears to occur in arginine, presumably because of the requirements of hydrogen bonding. The aggregation pattern in the DL-arginine complex bears varying degrees of resemblance to patterns observed in other similar structures. An antiparallel hydrogen-bonded dimeric arrangement of arginine, and to a lesser extent lysine, is a recurring motif. Similarities also exist among the structures in the interactions with this motif and its assembly into larger features of aggregation. However, the aggregation pattern observed in the L-arginine complex differs from any observed so far, which demonstrates that all the general patterns of amino-acid aggregation have not yet been elucidated. The two complexes represent cases where the reversal of the chirality of half the amino-acid molecules leads to a fundamentally different aggregation pattern.

scholarly journals Hydrophobic dipeptides: the final piece in the puzzle

2018 ◽  
Vol 74 (3) ◽  
pp. 311-318 ◽  
Author(s):  
Carl Henrik Görbitz
Keyword(s):  
Crystal Structure ◽  
Amino Acids ◽  
Hydrogen Bonding ◽  
Crystal Packing ◽  
Peptide Conformations ◽  
Bonding Patterns

The crystal structure of L-valyl-L-leucine acetonitrile solvate presented here adds to 24 previously reported structures of dipeptides constructed from the five nonpolar amino acids L-alanine, L-valine, L-isoleucine, L-leucine and L-phenylalanine. It thus constitutes the final piece in the 5 × 5 puzzle of hydrophobic dipeptide structures. This opportunity is taken to review the crystal packing arrangements and hydrogen-bonding preferences of a rather unique group of substances, with updated information on the various hydrogen-bonding patterns and the associated peptide conformations.

scholarly journals Stereocontrol in the synthesis of cyclic amino acids: a new ligand for directed hydrogenation through hydrogen bonding

2019 ◽  
Vol 17 (10) ◽  
pp. 2753-2758
Author(s):  
Vasudeva Rao Gandi ◽  
Bao Nguyen Do Doan ◽  
Sivarajan Kasinathan ◽  
Roderick W. Bates
Keyword(s):  
Amino Acids ◽  
Hydrogen Bonding ◽  
Methoxy Group ◽  
Nitrogen Heterocycles ◽  
Alcohol Group ◽  
Cyclic Amino Acids

Directed hydrogenation of the nitrogen heterocycles is enhanced by hydrogen bonding between the substrate alcohol group and the ligand methoxy group.

Hydrogen bonding and protonation effects in amino acids' anthraquinone derivatives - Spectroscopic and electrochemical studies

2019 ◽  
Vol 222 ◽  
pp. 117226
Author(s):  
Sandra Ramotowska ◽  
Dorota Zarzeczańska ◽  
Iwona Dąbkowska ◽  
Anna Wcisło ◽  
Paweł Niedziałkowski ◽  
...  
Keyword(s):  
Amino Acids ◽  
Hydrogen Bonding ◽  
Electrochemical Studies ◽  
Anthraquinone Derivatives
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