scholarly journals Native like helices in a specially designed β peptide in the gas phase

2015 ◽  
Vol 17 (7) ◽  
pp. 5376-5385 ◽  
Author(s):  
Franziska Schubert ◽  
Kevin Pagel ◽  
Mariana Rossi ◽  
Stephan Warnke ◽  
Mario Salwiczek ◽  
...  
Keyword(s):  
Amino Acids ◽  
Gas Phase ◽  
First Principles ◽  
Open Chain ◽  
Gas Phase Spectroscopy

First principles simulations and gas phase spectroscopy suggest equilibrium of helices for an oligomer of open chain β amino acids.

Reactions in solution

2018 ◽  
Author(s):  
Dennis Sherwood ◽  
Paul Dalby
Keyword(s):  
Phase Equilibria ◽  
Gas Phase ◽  
First Principles ◽  
Unique Feature ◽  
Life Sciences ◽  
Equilibrium Mixture ◽  
Second Law ◽  
Ideal Solution ◽  
Coupled Reactions ◽  
Definition Of

Another key chapter, examining reactions in solution. Starting with the definition of an ideal solution, and then introducing Raoult’s law and Henry’s law, this chapter then draws on the results of Chapter 14 (gas phase equilibria) to derive the corresponding results for equilibria in an ideal solution. A unique feature of this chapter is the analysis of coupled reactions, once again using first principles to show how the coupling of an endergonic reaction to a suitable exergonic reaction results in an equilibrium mixture in which the products of the endergonic reaction are present in much higher quantity. This demonstrates how coupled reactions can cause entropy-reducing events to take place without breaking the Second Law, so setting the scene for the future chapters on applications of thermodynamics to the life sciences, especially chapter 24 on bioenergetics.

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

Supersonic molecular beam and static gas phase spectroscopy of intermolecular hot bands associated with ν116O12C---1H19F

1988 ◽  
Vol 152 (1) ◽  
pp. 87-93 ◽  
Author(s):  
K. McMillan ◽  
D. Bender ◽  
M. Eliades ◽  
D. Danzeiser ◽  
B.A. Wofford ◽  
...  
Keyword(s):  
Gas Phase ◽  
Molecular Beam ◽  
Supersonic Molecular Beam ◽  
Gas Phase Spectroscopy

Radiolysis of methylcyclopentane. III. Liquid phase mechanism and comparison of cycloalkanes

1968 ◽  
Vol 46 (20) ◽  
pp. 3235-3240 ◽  
Author(s):  
Gordon R. Freeman ◽  
E. Diane Stover
Keyword(s):  
Liquid Phase ◽  
Gas Phase ◽  
Bond Cleavage ◽  
Open Chain ◽  
Methyl Substitution ◽  
Product Yields ◽  
Total Ionization ◽  
Gamma Radiolysis ◽  
G Value

The initial yields of the major products of the gamma radiolysis of liquid methylcyclopentane (MCP) at 25° are: G(H2) = 4.2, G(1-methylcyclopentene plus methylenecyclopentane) = 2.7, G(3- plus 4-methyl-cyclopentene) = 1.0, G(open chain hexene) = 1.0, and G(bimethylcyclopentyl) = 0.9. The effects of scavengers on the product yields are reported and the mechanism is discussed.The liquid phase radiolytic decompositions of cyclohexane (CH), methylcyclohexane (MCH), cyclopentane (CP), and MCP are compared. The net amount of C—C bond cleavage is much greater in the five-membered than in the six-membered rings. Methyl substitution on the ring reduces G(H2) by about one unit, mainly because of the formation of a type of ion (QH+) that does not yield hydrogen when neutralized by an electron. The QH+ type ions are formed in MCH and MCP, but not in CH and CP. In all the systems, another type of ion (N+) that does not yield hydrogen when neutralized by an electron is formed with a G value of about unity. The type of ion (PH+) that does yield hydrogen when neutralized by an electron has a G value of 3.4 in CH and CP, but only 2.0 in MCP. It is concluded that G(total ionization) is in the vicinity of 4.4 in the liquid compounds, virtually the same as the gas phase values.

Vibrational Signature of Charge Solvation vs Salt Bridge Isomers of Sodiated Amino Acids in the Gas Phase

2004 ◽  
Vol 126 (6) ◽  
pp. 1836-1842 ◽  
Author(s):  
Catherine Kapota ◽  
Joël Lemaire ◽  
Philippe Maître ◽  
Gilles Ohanessian
Keyword(s):  
Amino Acids ◽  
Gas Phase ◽  
Salt Bridge ◽  
Charge Solvation
Sign in / Sign up

Export Citation Format

Share Document