Global Vibrational Modes in Proteins: Raman Spectroscopy and Numerical Modeling

Author(s):  
Alberto Carpinteri ◽  
Giuseppe Lacidogna ◽  
Andrea Bassani ◽  
Gianfranco Piana
2018 ◽  
Vol 386 ◽  
pp. 43-47 ◽  
Author(s):  
Hirofumi Hoshida ◽  
Naoki Murakoso ◽  
Takashi Suemasu ◽  
Yoshikazu Terai

Infrared (IR) absorption and polarized Raman spectra were measured in BaSi2 epitaxial films to investigate the vibrational modes and the symmetry of Si4 cluster in BaSi2. By an analysis based on Raman and/or IR activity in the spectra, the symmetry of Si4 cluster was determined as Th-symmetry and the observed Raman lines and IR peaks were assigned to Ag, Eg, Fg, and Fu, respectively. In the three Raman lines of Fg-mode, one LO phonon line and two TO phonon lines were classified by the depolarization ratio of polarized Raman intensities.


2019 ◽  
Vol 9 (21) ◽  
pp. 4510
Author(s):  
Jin Qiu ◽  
Hua-Yi Hou ◽  
In-Sang Yang ◽  
Xiang-Bai Chen

Free fatty acid (FFA) is one of the most critical parameters for evaluating the quality of olive oil. In this paper, we present a simple and rapid Raman spectroscopy method for analyzing free fatty acid in olive oil. First, FFA degradation of carotenoids in olive oil is confirmed by analyzing the relative intensity of characteristic vibrational modes and introducing an intensity decrease factor. Second, it is demonstrated that the relative intensity ratio of the two characteristic vibrational modes at 1525 cm−1 and 1655 cm−1 presents a good and rapid analysis of FFA content in olive oil; the relative intensity ratio decreases linearly with FFA content. In addition, resonance Raman scattering of carotenoid is discussed, showing that a green laser should be utilized to study FFA in olive oil.


2017 ◽  
Vol 19 (47) ◽  
pp. 32099-32104 ◽  
Author(s):  
Alexander Krylov ◽  
Alexander Vtyurin ◽  
Petko Petkov ◽  
Irena Senkovska ◽  
Mariia Maliuta ◽  
...  

Raman spectroscopy and Molecular Dynamic simulations were applied to study low-frequency vibrations of a flexible metal–organic framework DUT-8(Ni).


1987 ◽  
Vol 22 (12) ◽  
pp. 1735-1741 ◽  
Author(s):  
R. Leonhardt ◽  
W. Holzapfel ◽  
W. Zinth ◽  
W. Kaiser

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Minwoo Park ◽  
Jin Sik Choi ◽  
Li Yang ◽  
Hoonkyung Lee

AbstractRaman spectroscopy is the most commonly used method to investigate structures of materials. Recently, few-layered IV-VI 2D materials (SnS, SnSe, GeS, and GeSe) have been found and ignited significant interest in electronic and optical applications. However, unlike few-layer graphene, in which its interlayer structures such as the number of its layers are confirmed through measurement of the Raman scattering, few-layer IV-VI 2D materials have not yet been developed to the point of understanding their interlayer structure. Here we performed first-principles calculations on Raman spectroscopy for few-layer IV-VI 2D materials. In addition to achieving consistent results with measurements of bulk structures, we revealed significant red and blue shifts of characteristic Raman modes up to 100 cm−1 associated with the layer number. These shifts of lattice vibrational modes originate from the change of the bond lengths between the metal atoms and chalcogen atoms through the change of the interlayer interactions. Particularly, our study shows weak covalent bonding between interlayers, making the evolution of Raman signals according to the thickness different from other vdW materials. Our results suggest a new way for obtaining information of layer structure of few-layer IV-VI 2D materials through Raman spectroscopy.


2002 ◽  
Vol 66 (7) ◽  
Author(s):  
N. Esser ◽  
K. Hinrichs ◽  
J. R. Power ◽  
W. Richter ◽  
J. Fritsch

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