Structural analysis of neutral tetracycline using anharmonicity of delocalized vibrations
文献情報
V. Volkov, R. Righini
While tetracyclines are in active medical use, their bioactive atomic compositions are still questionable. Here, we investigate the structural properties of neutral tetracycline in dimethyl sulfoxide – the environment used often to mimic the environment in vivo. We compare the measured linear and nonlinear infrared spectra to those calculated for a collection of stable and energetically plausible tautomers, and describe the structurally sensitive off-diagonal peaks using anharmonicities of the normal modes. The comparison of experimental and theoretical 2DIR spectra is consistent with the numerical predictions of statistical thermodynamics on the relative weights of possible tautomers. In result, we provide the systematic account of the structural realizations of neutral tetracycline in DMSO.
関連文献
An efficient core–shell fluorescent silica nanoprobe for ratiometric fluorescence detection of pH in living cells
Jingni Fu, Changqin Ding, Anwei Zhu
DOI: 10.1039/C6AN00981F
Preparation of a chemically stable metal–organic framework and multi-walled carbon nanotube composite as a high-performance electrocatalyst for the detection of lead
Xin Sun, Yuling Chen, Yao Xie, Lu Wang, Yang Wang, Xiaoya Hu
DOI: 10.1039/C9AN02299F
Electrochromic sensing platform based on steric hindrance effects for CEA detection
Yong Xia, Jing Li, Erkang Wang
DOI: 10.1039/C6AN00675B
A twin enrichment method based on dispersive liquid–liquid microextraction and field-amplified sample injection for the simultaneous determination of sulfonamides
Shixuan Yang, Zhihua Song, Jinhua Li, Qiaocui Shi, Huiyan You, Huitao Liu, Min Lv, Lingxin Chen
DOI: 10.1039/C9AN02127B
Cobalt oxyhydroxide nanoflake based fluorescence sensing platform for label-free detection of DNA
Zhe Zhang, Jilin Tang
DOI: 10.1039/C6AN00745G
An array of individually addressable micro-needles for mapping pH distributions
Claudio Zuliani, Fu Siong Ng, Andrea Alenda, Amir Eftekhar, Nicholas S. Peters, Christofer Toumazou
DOI: 10.1039/C6AN00639F
A high-sensitive sensor with HEPES-enhanced electrochemiluminescence of benzo[3]uril for Fe3+ and its application in human serum
Yao Lei, Fei Qiu, Jian-Mei Yang, Mao Liu, Qing-Mei Ge, Hang Cong, Zhu Tao
DOI: 10.1039/C9AN02156F
Early apoptosis real-time detection by label-free SERS based on externalized phosphatidylserine
Haibo Zhou, Qiqin Wang, Jinyong Wang, Yang Huang, Huihui Wu, Jingyi Jian, Danting Yang, Ning Huang, Christoph Haisch, Zhengjin Jiang
DOI: 10.1039/C6AN00606J
A high-resolution method to assess cell multinucleation with cytoplasm-localized fluorescent probes
Qinghua Cui, Hui Meng, Fangfang Lai, Shufang Wang, Xiang Zhang, Xiaoguang Chen, Dali Yin
DOI: 10.1039/C6AN00613B
A dual-channel detection of mercuric ions using a label free G-quadruplex-based DNAzyme molecule
DOI: 10.1039/C6AN00795C
こちらもおすすめ
2,3-スチオエポキシマドルを取り扱う際の実験室安全事項は何ですか?
取り扱いにはPPE(プロテクティブ・パーソナル・エイド)が必要で、防ぐ手袋と保護眼鏡を着用してください。ドラフトチャンバーの使用を推奨します。漏洩した場合は、適...
BOC-S-3-アミニ-4-(4-メチオキシベンチル)-ブタン酸の代替品はありますか?
この化合物の代替品としては、BOC保護基を有さないアミノ酸やその他の保護基化合物が考えられます。また、メチオキシ基を有しない他の芳香族アミノ酸も代替品として挙げ...
Methyl 2-(chloromethyl)-3-nitrobenzoate(1218910-61-2)の代替品はありますか?
Methyl 2-(chloromethyl)-3-nitrobenzoate(1218910-61-2)の代替品としては、化学組成を変えることで効果を達成する...
(2R)-2-アミノ-N-ベンジル-3-ヒドロキシプロパナミドを含む廃棄物はどのように処理すべきですか?
(2R)-2-アミノ-N-ベンジル-3-ヒドロキシプロパナミドを含む廃棄物は、適切な廃棄物管理ガイドラインに基づき処理する必要があります。まず、廃棄物を適切に収...
6,7-二氢-咪唑並[1,2-a]ピリドイン-8(5h)-酮はどのように合成されますか?
6,7-二氢-咪唑並[1,2-a]ピリドイン-8(5h)-酮は、2-ブロモフェニルアセトインとリン酸ハロゲン化物を反応させることで合成できます。この反応は高温で...
エチル(3R)-3-ピロリジニル酢酸水和塩とは何ですか?
エチル(3R)-3-ピロリジニル酢酸水和塩は、CAS番号1332459-32-1の化合物で、(R)-乙基2-(ピロリジン-3-基)酢酸塩水和塩と呼ばれます。この...
(2S)-{[(2-メチルエチルオキシ]カルボニル}アミノ)[2-(トリアフルオロメチルフェニル]エチカシック酸の物理化学的性質は何ですか?
(2S)-{[(2-メチルエチルオキシ]カルボニル}アミノ)[2-(トリアフルオロメチルフェニル]エチカシック酸のCAS番号は1203454-45-8です。この...
2-ブロモ-1-(2-メチル-2-プロパニル)-4-ニトロベンゼンはどのように保存すればよいですか?
2-ブロモ-1-(2-メチル-2-プロパニル)-4-ニトロベンゼンは、直射日光を避けて暗所で、室温(約15℃〜25℃)、乾燥した場所に保存する必要があります。ま...
1-[(4-硝基フェニル)スルホニル]-1H-1,2,4-三唑の市場動向や研究トレンドはどうですか?
市場動向としては、1-[(4-硝基フェニル)スルホニル]-1H-1,2,4-三唑は主に農業用除草剤や合成化学製品の原料として利用されています。研究トレンドとして...
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.










![6-(Benzyloxy)-8-(2-bromoacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one structure 6-(Benzyloxy)-8-(2-bromoacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-one structure](https://static.chemtradehub.com/structs/926/926319-53-1-2287.webp)
![(1R,5R)-3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azabicyclo[3.1.0]hexane-1-carboxylic acid structure (1R,5R)-3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azabicyclo[3.1.0]hexane-1-carboxylic acid structure](https://static.chemtradehub.com/structs/116/1165450-63-4-bfe1.webp)
![5,10-Dihydroindeno[2,1-a]indene structure 5,10-Dihydroindeno[2,1-a]indene structure](https://static.chemtradehub.com/structs/654/6543-29-9-71ca.webp)

