First principles DFT study of weak C-H[ellipsis (horizontal)]O bonds in crystalline amino acids under pressure-alanine

2013 ◽  
Author(s):  
Lavanya M. Ramaniah ◽  
C. Kamal ◽  
S. K. Sikka
Keyword(s):  
Amino Acids ◽  
First Principles ◽  
Dft Study ◽  
Crystalline Amino Acids

Controlling the electronic properties of zigzag graphene nanoribbon using amino acids and oxygen molecule-A first principles DFT study

2019 ◽  
Vol 494 ◽  
pp. 627-634 ◽  
Author(s):  
Janani Kumar ◽  
Hariharan Rajalakshmi Mohanraj ◽  
Preferencial Kala Christian ◽  
John Thiruvadigal David
Keyword(s):  
Amino Acids ◽  
Electronic Properties ◽  
First Principles ◽  
Graphene Nanoribbon ◽  
Oxygen Molecule ◽  
Dft Study

scholarly journals First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids

2016 ◽  
Vol 3 (1) ◽  
Author(s):  
Matti Ropo ◽  
Markus Schneider ◽  
Carsten Baldauf ◽  
Volker Blum
Keyword(s):  
Amino Acids ◽  
First Principles ◽  
Data Set

Compensation of the requirement for protein in parenteral diet choice of the solutions of crystalline amino acids and protein hydrolysates

1993 ◽  
Vol 74 (5) ◽  
pp. 334-338
Author(s):  
E. I. Ustinov
Keyword(s):  
Amino Acids ◽  
Protein Hydrolysates ◽  
Utilization Rate ◽  
Mathematical Treatment ◽  
Diet Choice ◽  
Volume Calculation ◽  
Crystalline Amino Acids ◽  
Qualitative Estimation

The formula of volume calculation of all the solutions of crystalline amino acids and some protein hydrolysates to compensate the necessary requirements of a patient for protein is given. The mathematical treatment of this formula with regard to the utilization rate and maximum doses of amino acids is made, the method of quantitative and qualitative estimation of the available preparations of crystalline amino acids and protein hydrolysates allowing to make a justified choice of the preparations is proposed. The article is illustrated by the tables with necessary information of the preparations for parenteral diet, their potential possibilities of protein compensation as well as a dosage of the preparations of crystalline amino acids and protein hydrolysates to compensate the necessary require# ments for protein.

scholarly journals First principles DFT study of interstitial hydrogen and oxygen atoms in the MAX phase Ti2AlN

RSC Advances ◽  
2017 ◽  
Vol 7 (60) ◽  
pp. 37852-37857 ◽  
Author(s):  
Francesco Colonna ◽  
Christian Elsässer
Keyword(s):  
Ab Initio ◽  
Corrosion Protection ◽  
First Principles ◽  
Dft Study ◽  
Max Phase ◽  
Oxygen Absorption ◽  
Protection Potential ◽  
And Diffusion ◽  
Interstitial Hydrogen ◽  
Oxygen Atoms

We model hydrogen and oxygen absorption and diffusion in Ti2AlN via ab initio simulations to assess its corrosion protection potential.

NUTRITION DES LARVES DE TRIBOLIUM CONFUSUM DUVAL: I. RECHERCHE D'UN RÉGIME SYNTHÉTIQUE BASAL SATISFAISANT LEURS BESOINS NUTRITIFS

1951 ◽  
Vol 29 (2) ◽  
pp. 71-79 ◽  
Author(s):  
A. Lemonde ◽  
R. Bernard
Keyword(s):  
Amino Acids ◽  
Wheat Germ ◽  
Amino Acid Mixture ◽  
Tribolium Confusum ◽  
Acid Mixture ◽  
Salt Mixture ◽  
Wheat Germ Oil ◽  
Crystalline Amino Acids ◽  
Vitamin Mixture ◽  
Liver Fraction

A purified diet suitable for the study of the qualitative amino acids requirements of the larvae of the Coleoptera Tribolium confusum is presented. The composition of the diet is as follows: amino acid mixture 20%, cornstarch 75.5%, cholesterol 1%, wheat germ oil 1.5%, salt mixture No. 2 U.S.P. XII 2%, yeast 0.5%, vitamin mixture M.V.–II. In presence of amino acids, glucose cannot be used as a source of hydrocarbon. The mixture is very hygroscopic, develops a brown color, and is apparently toxic to the larvae. The importance of choline as a growth factor is demonstrated. Wilson's Liver Fraction L or Liver Concentrate 1: 20 cannot replace this vitamin. Yeast appears to contain unknown factors for it improves growth when added to a diet already supplemented with vitamins known to be essential for the larvae. A mixture of 19 crystalline amino acids known to occur in casein satisfies the nitrogen requirements of the larvae of T. confusum equally as well as purified casein.

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