Spectroscopic and theoretical investigations of adenosine 5′-diphosphate and adenosine 5′-triphosphate dianions in the gas phase
文献情報
Paul E. Crider, Matthias Vonderach, Patrick Weis
Doubly deprotonated adenosine 5′-diphosphate ([ADP–2H]2−) and adenosine 5′-triphosphate ([ATP–2H]2−) dianions were investigated using infrared multiple photon dissociation (IR-MPD) and photoelectron spectroscopy. Vibrational spectra acquired in the X–H stretch region (X = C, N, O) and augmented by isotope-labelling were compared to density functional theory (DFT) calculations at the B3LYP/TZVPP level. This suggests that in [ATP–2H]2− the two phosphate groups adjacent to the ribose ring are preferentially deprotonated. Photoelectron spectra recorded at 4.66 and 6.42 eV photon energies revealed adiabatic detachment energies of 1.35 eV for [ADP–2H]2− and 3.35 eV for [ATP–2H]2−. Repulsive Coulomb barriers were estimated at ∼2.2 eV for [ADP–2H]2− and ∼1.9 eV for [ATP–2H]2−. Time-dependent DFT calculations have been used to simulate the photoelectron spectra. Photodetachment occurs primarily from lone pair orbitals on oxygen atoms within the phosphate chain.
おすすめジャーナル

Science Progress

Journal of Physics and Chemistry of Solids

Fibre Chemistry

Journal of Catalysis

Proceedings of the National Academy of Sciences of the United States of America

Helvetica Chimica Acta

Journal of Organometallic Chemistry

Molecular Pharmacology

European Journal of Wood and Wood Products

Organic Preparations and Procedures International
関連文献
Faceting preferences for AuN and PdN nanoclusters with high-symmetry motifs
Z. Y. Li, Roy L. Johnston
DOI: 10.1039/C3CP50978H
Spectromicroscopy of pulses transporting alkali metal in a surface reaction
S. Günther, Hong Liu, T. O. Menteş, A. Locatelli, R. Imbihl
DOI: 10.1039/C3CP44478C
Strain-induced Dirac cone-like electronic structures and semiconductor–semimetal transition in graphdiyne
Hui-Juan Cui, Xian-Lei Sheng, Qing-Bo Yan, Qing-Rong Zheng, Gang Su
DOI: 10.1039/C3CP44457K
K-edge XANES investigation of octakis(DMSO)lanthanoid(iii) complexes in DMSO solution and solid iodides
Paola D'Angelo, Valentina Migliorati, Riccardo Spezia, Simone De Panfilis, Ingmar Persson, Andrea Zitolo
DOI: 10.1039/C3CP50842K
Intrinsic fluorescence properties of rhodamine cations in gas-phase: triplet lifetimes and dispersed fluorescence spectra
Jean-François Greisch, Michael E. Harding, Mattias Kordel
DOI: 10.1039/C3CP44362K
Adsorption of N/S heterocycles in the flexible metal–organic framework MIL-53(FeIII) studied by in situ energy dispersive X-ray diffraction
Ben Van de Voorde, Alexis S. Munn, Nathalie Guillou, Franck Millange, Dirk E. De Vos, Richard I. Walton
DOI: 10.1039/C3CP44349C
Elucidation of structure and nature of the PdO–Pd transformation using in situ PDF and XAS techniques
Jonathan Keating, Gopinathan Sankar, Timothy I. Hyde, Shinji Kohara, Koji Ohara
DOI: 10.1039/C3CP50600B
Photofragmentation at 263 nm of small peptides containing tyrosine: the role of the charge transfer on CO
Christophe Dehon, Satchin Soorkia, Mélanie Pedrazzani, Christophe Jouvet, Michel Barat, Jacqueline A. Fayeton, Bruno Lucas
DOI: 10.1039/C3CP50720C
New Li2FeSiO4–carbon monoliths with controlled macropores: effects of pore properties on electrode performance
George Hasegawa, Mai Sannohe, Yuya Ishihara, Kazuyoshi Kanamori, Kazuki Nakanishi, Takeshi Abe
DOI: 10.1039/C3CP50352F
Self-discharge of electrochemical double layer capacitors
Andrzej Lewandowski, Pawel Jakobczyk, Maciej Galinski, Marcin Biegun
DOI: 10.1039/C3CP44612C
こちらもおすすめ
3-イチチルビフェニルはどのように合成されますか?
3-イチチルビフェニルは、ビフェニルとイチプロピオニトリルを回収率約90%で反応させて合成されます。触媒は通常、亜リチウムホウ素を用います。
8-溴-5-三氟甲基喹啉はどのように合成されますか?
8-溴-5-三氟甲基喹啉は、5-トリフルオロメチル-2-メチル-1,3-ベンゼンジオールをブロモエタノールと反応させて生成します。この反応は塩基性条件下で行われ...
ジメチル4-(4,4,5,5-テトラメチル-1,3,2-ドioxaborolan-2-基)-2,6-ピリジンジカルボイル酸フェニルアミニドの代替品はありますか?
ジメチル4-(4,4,5,5-テトラメチル-1,3,2-ドioxaborolan-2-基)-2,6-ピリジンジカルボイル酸フェニルアミニドの代替品としては、4-...
N-(3,5-ヘキサクロロ-4-ピリドインイル)-8-メチオキシ-5-キノリンカーボン酸の市場動向や研究トレンドはどのようなものでしょうか?
N-(3,5-ヘキサクロロ-4-ピリドインイル)-8-メチオキシ-5-キノリンカーボン酸の市場動向は、主に産業用途での需要により影響を受けます。研究トレンドとし...
イソステアロイルグリセリルは安全ですか?
イソステアロイルグリセリルは一般的に安全性が高いとされていますが、過度な使用や個人差により皮�owsん炎などの反応が起こる可能性があります。使用前に医師に相談す...
1-(二苯甲基)-3,3-二氟-氮杂环丁烷の市場動向や研究トレンドはどうですか?
1-(二苯甲基)-3,3-二氟-氮杂环丁烷の市場動向は、医薬品や合成化学の研究分野で注目を集めています。新興研究は、該当化合物の合成改良と生体内での作用メカニズ...
3-チオフェンスチオールの物理化学的性質は何ですか?
3-チオフェンスチオールのCAS番号は7774-73-4です。結晶性の白色粉末で、分子量は122.17です。この化合物は水に微溶解し、エタノールやジクロロメタン...
2-Methyl-2-propanyl (2S)-2-(aminomethyl)-1-piperidinecarboxylateは安全ですか?
2-Methyl-2-propanyl (2S)-2-(aminomethyl)-1-piperidinecarboxylateは一定の安全性基準を満たしていま...
CAS番号1316822-90-8の化合物は安全ですか?
CAS番号1316822-90-8の化合物は安全性に関しては評価が不足していますが、一般的には生物学的に活性な物質であり、取り扱いには適切な安全防護措置が必要で...
Tert-butyl 2-(2-羟基乙基)哌嗪-1-羧酸はどのように保存すればよいですか?
Tert-butyl 2-(2-羟基乙基)哌嗪-1-羧酸は、冷暗所で保存し、直射日光から遠ざけてください。容器は密閉し、高湿度や高温を避けて保管してください。
掲載誌
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.

![1,10-bis(3,5-dimethylphenyl)-12-hydroxy-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide structure 1,10-bis(3,5-dimethylphenyl)-12-hydroxy-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine 12-oxide structure](https://static.chemtradehub.com/structs/141/1412439-82-7-b9a9.webp)
![5'-Fluoro-[2,3'-biindolinylidene]-2',3-dione structure 5'-Fluoro-[2,3'-biindolinylidene]-2',3-dione structure](https://static.chemtradehub.com/structs/251/251903-00-1-9cb1.webp)
![1-oxaspiro[4.4]nonan-6-one structure 1-oxaspiro[4.4]nonan-6-one structure](https://static.chemtradehub.com/structs/134/134179-01-4-e051.webp)
