Raman spectroscopic study of H2O and D2O water solutions of glycine

Furić, Krešimir; Mohaček, Vlasta; Bonifacic, M.; Štefanić, Igor

doi:10.1016/0022-2860(92)87006-h

Cited by 175 publications

(73 citation statements)

References 7 publications

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“…Since this alkyl group is neither subject to protonation nor very sensitive to solvent pH effects, its vibrational frequency and intensity are almost unaffected throughout the pH range 0-14. According to literature, CH 2 deformation vibrations also contribute to the complex IR bands between 1365 and 1325 cm À1 [23,27,28,47,50,51]. We partly agree on this assignment for the spectra recorded at low and high pH, but in view of the considerably increased intensity and broadening of the 1346 cm À1 component at pH 6-9, we also assume a substantial [23,27,28].…”

Section: The Side Chain Ch 2 and Ch Groupssupporting

confidence: 87%

“…We partly agree on this assignment for the spectra recorded at low and high pH, but in view of the considerably increased intensity and broadening of the 1346 cm À1 component at pH 6-9, we also assume a substantial [23,27,28]. Vice versa, a contribution of the CH 2 wagging vibration to the Raman bands in the same region cannot be excluded [18,24,34,47,50], but as pointed out later, we believe that the largest intensity originates from skeletal modes.…”

Section: The Side Chain Ch 2 and Ch Groupssupporting

confidence: 81%

“…The usefulness of the band to mark conversion from HHis À to His 2À is limited regarding its low intensity. The weak Raman and IR band around 940 cm À1 that appears at pH !6 is assigned to an inplane ring deformation in accordance with the literature on histidine [27,29] and 4-imidazole [12,[15][16][17][18], but clearly different from the assignment to nC-COO À for histamine [47].…”

Section: Imidazole Skeletal Modessupporting

confidence: 65%

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Infrared and Raman spectroscopic study of pH-induced structural changes of l-histidine in aqueous environment

Mesu

Visser

Soulimani

et al. 2005

Vibrational Spectroscopy

135

103

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Aqueous solutions of L-histidine have been analysed in parallel by infrared (IR) and Raman spectroscopy over the pH range 0-14 with increments of one pH unit. The vibrational spectra in the region 2000-500 cm À1 have been interpreted and band positions have been assigned tentatively, taking into account assignments from literature after critical evaluation. As a result, a complete and complementary set of vibrational data has been obtained that can be used to determine all possible states of protonation of histidine, i.e. H 4 His 2+ , H 3 His + , H 2 His 0 , HHis À and His 2À . In addition, IR and Raman bands have been proposed as markers for the presence of the imidazole N p -or N t -protonated tautomeric forms of H 2 His 0 and HHis À .

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Section: The Side Chain Ch 2 and Ch Groupssupporting

confidence: 87%

Section: The Side Chain Ch 2 and Ch Groupssupporting

confidence: 81%

Section: Imidazole Skeletal Modessupporting

confidence: 65%

See 1 more Smart Citation

Infrared and Raman spectroscopic study of pH-induced structural changes of l-histidine in aqueous environment

Mesu

Visser

Soulimani

et al. 2005

Vibrational Spectroscopy

135

103

View full text Add to dashboard Cite

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“…The assignments of most of the modes are found to be consistent with the spectra reported earlier [8][9][10]. Positions of Raman bands characterizing glycine molecule and even (to a certain extent) their relative intensities are not very sensitive to the environmental changes (i.e.…”

Section: Resultssupporting

confidence: 87%

The Interaction of Water with Glycine: A Combined Inelastic Neutron Scattering and Raman Spectra Studies

Zhang

Han

et al. 2006

Acta Phys. Pol. A

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The vibrational dynamics of water around glycine was investigated by using Raman spectroscopy and inelastic neutron scattering. Experiments of deuterated glycine versus deuterium were performed as comparison. The study shows that for glycine, the exchange of proton-deuteron on the active NH + 3 side was easy, whereas there was hardly exchange on the CH 2 side. Comparing different proportion of glycine vs. water molecules we obtained that the presence of water hardly changes the main features of glycine illustrating its hydrophobic character. The intralayer hydrogen bonds of glycine crystal are difficult to be replaced due to its stronger bond than water.

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“…The ring C=C and C-C stretching vibrations known as semicircle stretching usually occurs in the region1400-1625cm -1 [49,50]. -1 in FT-Raman spectra support above assignments.…”

Section: ) C-c Vibrationssupporting

confidence: 68%

Synthesis and Vibrational Spectral Analysis of (E)-Nʹ- (Pyridin-2-Ylmethylene) Isonicotinohydrazide - A Combined Experimental and Theoretical Study

Nathiya¹

2017

IJRASET

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Abstracts: In the present study, a new derivative had been designed by bridge elongation and push-pull strategy from (E)-Nʹ-(Pyridin-2-ylmethylene) isonicotinohydrazide (P2MINH) with the aim to enhance electronic and charge transport properties. The geometrical parameters of the title compound were calculated. The molecular structure, IR and Raman spectra of the isonicotinohydrazide were interpreted by comparing the experimental results with the theoretical B3LYP/6-311++G (d, p) calculations. The data obtained from density functional theory (DFT) computation was used to perform total energy distribution (TED) analysis using scaled quantum mechanics (SQM) method to complement and give insight in the experimental vibrational assignment. The electronic transition was studied using UV-Vis spectrum recorded in the region 200-600nm. The 1 H and 13 C nuclear magnetic resonance (NMR) chemical shift of the title compound were also calculated. The molecular docking solved the binding mode of 3DL6 complex. This work can serve as a basis for better drug design of highly selective human lanosterol 14-alpha dimethylase in complex with ketoconazole.

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Raman spectroscopic study of H2O and D2O water solutions of glycine

Cited by 175 publications

References 7 publications

Infrared and Raman spectroscopic study of pH-induced structural changes of l-histidine in aqueous environment

Infrared and Raman spectroscopic study of pH-induced structural changes of l-histidine in aqueous environment

The Interaction of Water with Glycine: A Combined Inelastic Neutron Scattering and Raman Spectra Studies

Synthesis and Vibrational Spectral Analysis of (E)-Nʹ- (Pyridin-2-Ylmethylene) Isonicotinohydrazide - A Combined Experimental and Theoretical Study

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