Mapping gas phase dipeptide motions in the far-infrared and terahertz domain

文献情報

出版日 2017-04-27

DOI 10.1039/C7CP00369B

インパクトファクター 3.676

著者

Daniël J. Bakker, Sander Jaeqx, Anouk M. Rijs

原文を見る

要旨

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.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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.

Mapping gas phase dipeptide motions in the far-infrared and terahertz domain

文献情報

おすすめジャーナル

関連文献

Diglycolamic acid for the mutual separation of lanthanides and actinides from dilute nitric acid solution: solvent extraction, dynamic light scattering, and spectroscopic investigations

Rectal delivery of 89Zr-labeled infliximab-loaded nanoparticles enables PET imaging-guided localized therapy of inflammatory bowel disease

Contents list

Novel solar-light-driven Z-scheme BiOCl@WS2 nanocomposite photocatalysts for the photocatalytic removal of organic pollutants

Correction: Distortion-controlled 1,2-dicarbene reactivity of 3-triflyloxybenzynes: a theoretical approach

Eco-friendly, in-water, and catalyst-free assembly of acylethenylpyrroloimidazoindoles from 3H-indoles and acylpyrrolylacetylenes

Design, synthesis, and antiviral activities of myricetin derivatives containing pyridazinone

CdS QDs decorated on 3D flower-like Sn3O4: a hierarchical photocatalyst with boosted charge separation for hydrogen production

Polymeric engineering of AIEgens for NIR-II fluorescence imaging and detection of abdominal metastases of ovarian cancer in vivo

A facile strategy to fabricate a skin-like hydrogel with adhesive and highly stretchable attributes through small molecule triggering toward flexible electronics

こちらもおすすめ

3-(2-オキサプロピル)ベンzoic酸はどのように合成されますか？

BOC-L-3-氟苯丙氨酸の主な用途は何ですか？

4-メチル-4-ピペリジニル-1-ピロリドイン甲酸の主な用途は何ですか？

Biotin-PEG3-oxyamine HCl塩について、適切な化合物名称に適用される法規ガイドラインは何ですか？

N-(4-イソチオシアネートフェニル)-2-メトキシアリニンはどのように合成されますか？

金粉蕨亭2'-O-葡萄糖甙の主な用途は何ですか？

2-(2-ニトロフェニル)酢酸ヒドライドの物理化学的性質は何ですか？

5-(ヒドロキシメチル)-2-チオキソ-2,3-ジヒドロピリミジン-4(1H)-オンを取り扱う際の実験室安全事項は何ですか？

11-脱氢血栓烷 b2の市場動向や研究トレンドはどうですか？

3,3-二甲基哌啶-4-酮はどのように保存すればよいですか？

掲載誌

Physical Chemistry Chemical Physics

おすすめ化合物

Methyl 2-[5-(3-Phenoxyphenyl)-2H-tetrazol-2-yl]acetate

[1-(5-Methyl-2-pyridinyl)-1H-pyrazol-4-yl]methanol

2-(Piperidin-4-yloxy)pyrimidine hydrochloride

4-(1-Methyl-1H-pyrazol-4-yl)pyridine

4-Bromo-2-(methylsulfonyl)pyridine

おすすめサプライヤー