Raman spectroscopic characteristics of diallyl trisulfide acting on trans‐crotonaldehyde

Su, Yun-Ai; Chen, Lei; Cheng, Yong; Zhang, Fengrong; Su, Yanwen; Li, Zhengqiang

doi:10.1002/jrs.4754

Cited by 7 publications

(5 citation statements)

References 46 publications

(44 reference statements)

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“…Su and co‐workers monitored the liquid phase concentration in a polymorphic system by Raman spectroscopy. Their optimized model was subsequently applied to predict the liquid phase concentration in a multiphase multicomponent dynamic process, the solvent mediated polymorphic transformation of mannitol, and it was shown that the offline measurements and the predicted values were mainly in agreement with one another . Upadhyay et al .…”

Section: Liquids Solutions and Liquid Interactionsmentioning

confidence: 81%

“…Their optimized model was subsequently applied to predict the liquid phase concentration in a multiphase multicomponent dynamic process, the solvent mediated polymorphic transformation of mannitol, and it was shown that the offline measurements and the predicted values were mainly in agreement with one another. [146] Upadhyay et al carried out vibrational studies of polar aprotic molecules in aromatic chemical and isotropic solvents as a combined experimental and quantum chemical investigation. Theoretical calculations were compared with the experimental findings and good agreement of the results were obtained.…”

Section: Liquids Solutions and Liquid Interactionsmentioning

confidence: 99%

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Recent advances in linear and non‐linear Raman spectroscopy. Part X

Nafie

2016

J Raman Spectroscopy

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This review, published annually, provides an overview of advances in the field of Raman spectroscopy as found in papers published in the preceding calendar year in the Journal of Raman Spectroscopy (JRS), as well as in trends over the past decade across journals that have published papers important to the field of Raman spectroscopy. This information is obtained from statistical data on article counts obtained from Thomson Reuters ISI Web of Science Core Collection by year and by subfield of Raman spectroscopy. Additional information is gleaned from presentations at the XXV International Conference on Raman Spectroscopy (ICORS 2016) in Forteleza, Brazil in August 2016 and those featuring Raman scattering at SCIX 2016 organized by the Federation of Analytical Chemistry and Spectroscopy Societies (FACSS) in Minneapolis, Minnesota, USA in September 2016. Coverage is also provided for topics from the conference ECONOS 2016 held in April in Göteborg, Sweden and GeoRaman 2016 in June in Novosibirsk, Russia. Finally, papers published in JRS in 2015 are highlighted and arragned by topics at the frontier of Raman spectroscopy. From these various perspectives, it is clear that Raman spectroscopy continues to be a rapidly expanding field that provides sensitive photonic information of matter at the molecular level in an ever‐widening arena of novel applications. Copyright © 2016 John Wiley & Sons, Ltd.

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Section: Liquids Solutions and Liquid Interactionsmentioning

confidence: 81%

Section: Liquids Solutions and Liquid Interactionsmentioning

confidence: 99%

Recent advances in linear and non‐linear Raman spectroscopy. Part X

Nafie

2016

J Raman Spectroscopy

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“…Using ethanol as solvent, the maximum UV‐vis peak of TCA (12.5 mM) was located at 316 nm (Fig. , black line) , and the maximum UV‐vis main peak and shoulder peak of Res (0.01 mM) were situated at 305 and 320 nm (Fig. , blue line) , respectively.…”

Section: Resultsmentioning

confidence: 99%

“…The buffer was kept cold at 4 °C during the experiment. Other procedures of mitochondrial preparation were operated according to the previous method without modification . Mitochondrial samples were used within 1 h.…”

Section: Methodsmentioning

confidence: 99%

Spectroscopic evidences of toxic trans‐crotonaldehyde trapped and transformed by resveratrol to prevent the damage of mitochondrial DNA

Chen

et al. 2017

IUBMB Life

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The purpose of this study is to probe the spectroscopic evidences of toxic trans-crotonaldehyde (TCA) trapped and transformed by resveratrol (Res) to prevent the damage of mitochondrial DNA. In aldehyde dehydrogenase (ALDH) at the different pH or mitochondria, the spectroscopic characteristics of TCA trapped and transformed by Res were observed by means of both UV-vis and Raman spectra. When Res interacted with TCA, TCA peak at 316 nm immediately disappeared while Res main peak at 305 nm and shoulder peak at 320 nm were dramatically changed, Raman peaks of TCA at 1,688 cm assigned to CHO and 1,641 cm affiliated to CC were strikingly shifted, Raman peaks of Res itself were significantly displaced or disappeared, especially in mitochondria and ALDH at different pH. The active groups of Res were the OH at C and C . The results of theoretical calculations are in agreement on the whole with the experimental data. The Res plays undoubtedly an important role via the structural change in TCA. The toxic CHO of TCA was effectively trapped and transformed by Res by means of itself OH at C and C . The mitochondrial alkaline microenvironment and ALDH promoted the elimination of toxic TCA. © 2017 IUBMB Life, 69(7):500-509, 2017.

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“…All calculations were performed using density function theory (DFT) methods implemented in the Gaussian 09 package, with the hybrid functional CAM-B3LYP , and the basis set 6-31+G(d,p). , The reliability of this functional has been validated in our prior study by comparing the excitation energies of two equilibrium states of the TDHY–fluorene molecule with reported higher levels of calculation using TD-BH&HLYP/6-31G(d) and SA-REBH&HLYP/6-31G(d) functionals.…”

Section: Computational Detailsmentioning

confidence: 99%

Intramolecular Torque Study of a Molecular Rotation Stimulated by Electron Injection and Extraction

Chen

Jitapunkul

et al. 2018

J. Phys. Chem. A

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Rotation-inducing torque based on interatomic forces is a true indicator of internal molecular rotations. We use the induced intramolecular torque to study the underlying rotational mechanism stimulated by an electron injection or extraction for the rotor molecule 9-(2,4,7-trimethyl-2,3-dihydro-1 H-inden-1-ylidene)-9 H-fluorene, which consists of a "rotator" fragment and a "stator" fragment. The results show that the charged molecule in a quartet spin state can rotate internally, while that in the doublet state cannot. The torque on the rotator in the quartet state always maintains unidirectional rotation. In addition, the attachment/extraction of an electron leads to the reduction of the rotational energy barrier by about 18 kcal/mol, facilitating a more favorable molecular rotation than in the neutral singlet state. Our finding provides a molecular-level understanding of various transformation pathways for experimental designs and further demonstrates the effectiveness of the torque approach.

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Raman spectroscopic characteristics of diallyl trisulfide acting on trans‐crotonaldehyde

Cited by 7 publications

References 46 publications

Recent advances in linear and non‐linear Raman spectroscopy. Part X

Recent advances in linear and non‐linear Raman spectroscopy. Part X

Spectroscopic evidences of toxic trans‐crotonaldehyde trapped and transformed by resveratrol to prevent the damage of mitochondrial DNA

Intramolecular Torque Study of a Molecular Rotation Stimulated by Electron Injection and Extraction

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