Mapping gas phase dipeptide motions in the far-infrared and terahertz domain
Literature Information
Daniël J. Bakker, Sander Jaeqx, Anouk M. Rijs
Vibrational signatures of Ac-Phe-AA-NH2 dipeptides are recorded and analysed in the far IR/THz spectral domain (100–800 cm−1, 3–24 THz), with the ‘AA’ amino acid chosen within the series ‘AA’ = Gly, Ala, Pro, Cys, Ser, Val. Phe stands for phenylalanine. IR-UV ion dip experiments are conducted on the free electron laser FELIX and combined with DFT-based molecular dynamics simulations for the calculation of the dynamical anharmonic vibrational spectra. The excellent agreements between the experimental and theoretical spectra of the Ac-Phe-AA-NH2 series allow us to make detailed and unambiguous mapping of the vibrational motions into three main domains: 700–800 cm−1 for C–H waggings, 400–700 cm−1 for N–H waggings, with a one-to-one signature per amide N–H backbone group, 0–400 cm−1 for delocalized and large amplitude collective motions over the dipeptide backbone, with backbone torsional motions arising <100 cm−1.
Recommended Journals

Russian Journal of Applied Chemistry

Drug Discovery Today

Russian Journal of Organic Chemistry

New Journal of Chemistry

Journal of Saudi Chemical Society

Current Opinion in Colloid & Interface Science

Chemical Communications

Journal of Peptide Science

Russian Journal of Coordination Chemistry

Nature Medicine
Related Literature
Growth, solvent effects, and thermal desorption behavior of octylthiocyanate self-assembled monolayers on Au(111)
Youngsik Choi, Eisuke Ito
DOI: 10.1039/C3CP44425B
Enhancing the device performance of Sb2S3-sensitized heterojunction solar cells by embedding Au nanoparticles in the hole-conducting polymer layer
Choong-Sun Lim, Sang Hyuk Im, Hi-jung Kim, Jeong Ah Chang, Yong Hui Lee, Sang Il Seok
DOI: 10.1039/C2CP23650H
Do anions influence the polarity of protic ionic liquids?
Shashi Kant Shukla, Nageshwar D. Khupse, Anil Kumar
DOI: 10.1039/C2CP23256A
Comparing reduced partial charge models with polarizable simulations of ionic liquids
Christian Schröder
DOI: 10.1039/C2CP23329K
Water ice nanoparticles: size and temperature effects on the mid-infrared spectrum
Chris Medcraft, Don McNaughton, Chris D. Thompson, Dominique R. T. Appadoo, Sigurd Bauerecker, Evan G. Robertson
DOI: 10.1039/C3CP43974G
Influence of polystyrenesulfonate on electron transfer quenching of ruthenium trisbipyridine luminescence by viologens: non-covalent assembly and covalent tethering of the ruthenium complex
Eimer M. Tuite, David B. Rose, Patricia M. Ennis, John M. Kelly
DOI: 10.1039/C2CP23597H
Operando and in situ Raman studies of alumina-supported vanadium phosphatecatalysts in propane ammoxidation reaction: activity, selectivity and active phase formation
Ewelina Mikolajska, Søren B. Rasmussen, Anna E. Lewandowska, Miguel A. Bañares
DOI: 10.1039/C1CP22608H
You might also like
How should 2-Methylbenzene-1,4-diamine dihydrochloride (CAS: 615-45-2) be stored?
2-Methylbenzene-1,4-diamine dihydrochloride (CAS: 615-45-2) should be stored in ...
Is (1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide (CAS: 132747-20-7) safe?
(1S,4S)-2,5-Diazabicyclo[2.2.1]heptane dihydrobromide is generally considered sa...
What industries use (6-Chloropyridazin-3-YL)methanamine (CAS: 871826-15-2)?
(6-Chloropyridazin-3-YL)methanamine finds applications in the pharmaceutical ind...
What are the main uses of 2-Fluoro-3-methylphenol (CAS: 77772-72-6)?
2-Fluoro-3-methylphenol is primarily used in the synthesis of pharmaceuticals, p...
What precautions should be taken when handling 3-Methoxy-4-nitrobenzonitrile (CAS: 177476-75-4)?
When handling 3-Methoxy-4-nitrobenzonitrile, it is important to wear appropriate...
What precautions should be taken when handling 1,3-Oxazolo[4,5-b]pyridine-2(3H)-thione (CAS: 211949-57-4)?
When handling 1,3-Oxazolo[4,5-b]pyridine-2(3H)-thione (CAS: 211949-57-4), it is ...
What regulatory guidelines apply to 4-Ethynylbenzamide (CAS: 90347-86-7)?
4-Ethynylbenzamide (CAS: 90347-86-7) falls under various regulatory guidelines i...
What are the main uses of 3-(2-Ethylphenyl)-2-thioxo-4-imidazolidinone (CAS: 186822-57-1)?
3-(2-Ethylphenyl)-2-thioxo-4-imidazolidinone is primarily used as an intermediat...
What is (2-Fluoro-6-methoxyphenyl)acetic acid (CAS: 500912-19-6)?
(2-Fluoro-6-methoxyphenyl)acetic acid, also known as 4-fluoro-3-methoxybenzoic a...
What is the market or research trend for 2-[4-(Hydroxymethyl)phenoxy]ethanol (CAS: 102196-18-9)?
Market trends for 2-[4-(Hydroxymethyl)phenoxy]ethanol (CAS: 102196-18-9) indicat...
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.


![1-Benzyl-1,7-diazaspiro[4.4]nonane dihydrochloride structure 1-Benzyl-1,7-diazaspiro[4.4]nonane dihydrochloride structure](https://static.chemtradehub.com/structs/115/1159822-71-5-0320.webp)

![[1-(5-Methyl-2-pyridinyl)-1H-pyrazol-4-yl]methanol structure [1-(5-Methyl-2-pyridinyl)-1H-pyrazol-4-yl]methanol structure](https://static.chemtradehub.com/structs/143/1439822-99-7-6cc9.webp)