The alanine model dipeptide Ac-Ala-NH2 exists as a mixture of C eq7 and C5 conformers
Literature Information
Carlos Cabezas, Marcelino Varela, Vanessa Cortijo, Ana I. Jiménez, Isabel Peña, Adam M. Daly, Juan C. López, Carlos Cativiela, José L. Alonso
Microwave spectroscopy has been applied to characterize the conformations adopted in the gas phase by a small peptide derived from alanine, N-acetyl-L-alaninamide (Ac-Ala-NH2). This compound was vaporized by laser ablation and shown to exist as a mixture of Ceq7 and C5 conformers stabilized by a CO⋯HN intramolecular hydrogen bond closing a seven- or a five-membered ring, respectively. The complicated quadrupole hyperfine structure originated from two 14N nuclei has been completely resolved for both species and the derived nuclear quadrupole coupling constants have been used to determine the Ramachandran angles that describe their molecular shapes.
Recommended Journals
Related Literature
Temperature, pressure and density dependencies of the solubilities of low-volatility organic compounds in compressed gases Part 1. Solution energies from solubility data for disperse dyestuffs up to 20 MPa
Dirk Tuma, Björn Wagner, Gerhard M. Schneider
DOI: 10.1039/B109521H
P–ρ–T and Ps–ρs–Ts properties of methanol + water and n-propanol + water solutions in wide range of state parameters
DOI: 10.1039/B109077C
Mechanism of the magnetic field dependence for the liquid phase photoreaction in the nanotube of MCM-41
Masaharu Okazaki, Kazumi Toriyama, Kiichi Oda, Toshio Kasai
DOI: 10.1039/B110851D
On the response of simple reactors to regular trains of pulses
DOI: 10.1039/B109522F
Liquid–liquid coexistence curves of re-entrant phase transitions beyond the asymptotic range: tetrahydrofuran + water and tetrahydrofuran + heavy water
DOI: 10.1039/B109349E
The effect of flexibility on the phase diagram of simple molecular models
Carlos Vega, Carl McBride, Luis G. MacDowell
DOI: 10.1039/B107988N
Use of ab initio interaction energies for the prediction of phase equilibria in the system nitrogen–ethane
Gabriele Raabe, Juergen Koehler
DOI: 10.1039/B108641N
Femtosecond velocity map imaging of dissociative ionization dynamics in CF3I
Wim G. Roeterdink, Maurice H. M. Janssen
DOI: 10.1039/B107897F
Pairing of the nucleobase guanine studied by IR–UV double-resonance spectroscopy and ab initio calculations
Christoph Janzen, Petra Imhof, Karl Kleinermanns, Mattanjah S. de Vries
DOI: 10.1039/B110360C
Characteristic cyclic voltammograms of alkyl viologens at single crystal gold electrodes
Kazuki Arihara, Takeo Ohsaka, Fusao Kitamura
DOI: 10.1039/B109879A
You might also like
What regulatory guidelines apply to 6-Bromo-2-methylimidazo[1,2-a]pyrimidine (CAS: 1111638-05-1)?
6-Bromo-2-methylimidazo[1,2-a]pyrimidine (CAS: 1111638-05-1) falls under various...
Are there alternatives to 1-Pyrrolidineethanol, β-methyl-α-phenyl-, (αS,βR) (CAS: 123620-80-4) in synthesis?
While there are no direct alternatives, similar compounds like 1-Pyrrolidineetha...
Is 4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl methylcarbamate (CAS: 1918-11-2) safe?
4-Methyl-2,6-bis(2-methyl-2-propanyl)phenyl methylcarbamate (CAS: 1918-11-2) is ...
How should 2-(3-Bromo-4-fluorophenyl)-1,3-dioxolane (CAS: 77771-04-1) be stored?
2-(3-Bromo-4-fluorophenyl)-1,3-dioxolane (CAS: 77771-04-1) should be stored in a...
What are the physical and chemical properties of 4,5,6,7-Tetrahydro-1H-indazole hydrochloride (CAS: 18161-11-0)?
4,5,6,7-Tetrahydro-1H-indazole hydrochloride is a white crystalline solid with a...
What is (2R)-1-Methoxy-3-phenyl-2-propanamine (CAS: 59919-07-2)?
(2R)-1-Methoxy-3-phenyl-2-propanamine is a chiral organic compound with the CAS ...
What industries use Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (CAS: 56649-47-9)?
Ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate is used in various industries...
What regulatory guidelines apply to 4-[(1E,3S)-1-(4-Hydroxyphenyl)-1,4-pentadien-3-yl]phenol (CAS: 17676-24-3)?
4-[(1E,3S)-1-(4-Hydroxyphenyl)-1,4-pentadien-3-yl]phenol (CAS: 17676-24-3) falls...
What industries use (S)-3-Amino-5-phenylpentanoic acid hydrochloride (CAS: 331846-97-0)?
(S)-3-Amino-5-phenylpentanoic acid hydrochloride is primarily used in the pharma...
How is 7-methoxy-1-benzothiophene-2-carboxylic acid (CAS: 88791-07-5) typically synthesized?
7-Methoxy-1-benzothiophene-2-carboxylic acid is typically synthesized by reactin...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.










![(3aS,6aS)-1-Methyloctahydropyrrolo[3,4-b]pyrrole structure (3aS,6aS)-1-Methyloctahydropyrrolo[3,4-b]pyrrole structure](https://static.chemtradehub.com/structs/877/877212-98-1-9157.webp)



