Simulations of the IR and Raman spectra of water confined in amorphous silica slit pores

2021 ◽  
Vol 154 (10) ◽  
pp. 104503
Author(s):  
Hasini S. Senanayake ◽  
Jeffery A. Greathouse ◽  
Anastasia G. Ilgen ◽  
Ward H. Thompson
Keyword(s):  
Raman Spectra ◽  
Amorphous Silica ◽  
Ir And Raman Spectra ◽  
Slit Pores ◽  
Ir And Raman

Molecular structure analysis of ascending aorta aneurysm upon atherosclerosis

2020 ◽  
Vol 41 (Supplement_2) ◽  
Author(s):  
I Mamarelis ◽  
V Mamareli ◽  
M Kyriakidou ◽  
O Tanis ◽  
C Mamareli ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Raman Spectra ◽  
Molecular Level ◽  
Ascending Aorta ◽  
Ir And Raman Spectra ◽  
Aggregate Formation ◽  
Aorta Aneurysm ◽  
Ft Ir ◽  
Molecular Structure Analysis ◽  
Ir And Raman

Abstract Background The atherosclerotic ascending aorta could represent a potential source of emboli or could be an indicator of atherosclerosis in general with high mortality. The mechanism of aneurysm formation and atherosclerosis of the ascending aorta at the molecular level has not yet been clarified. To approach the mechanism of ascending aortic lesions and mineralization at a molecular level, we used the non-destructive FT-IR, Raman spectroscopy, SEM and Hypermicroscope. Methods Six ascending aorta biopsies were obtained from patients who underwent aortic valve replacement (AVR) cardiac surgery. CytoViva (einst inc) hyperspectral microscope was used to obtain the images of ascending aorta. The samples were dissolved in hexane on a microscope glass plate. The FT-IR and Raman spectra were recorded with Nicolet 6700 thermoshintific and micro-Raman Reinshaw (785nm, 145 mwatt), respectively. The architecture of ascending aorta biopsies was obtained by using scanning electron microscope (SEM of Fei Co) without any coating. Results FT-IR and Raman spectra showed changes arising from the increasing of lipophilic environment and aggregate formation (Fig. 1). The band at 1744 cm–1 is attributed to aldehyde CHO mode due to oxidation of lipids. The shifts of the bands of the amide I and amide II bands to lower are associated with protein damage, in agreement with SEM data. The bands at about 1170–1000 cm–1 resulted from the C-O-C of advanced glycation products as result of connecting tissues fragmentations and polymerization. The spectroscopic data were analogous with the lesions observed with SEM and hypermicroscopic images. Conclusions The present innovate molecular structure analysis showed that upon ascending aorta aneurysm development an excess of lipophilic aggregate formation and protein lesions, changing the elasticity of the aorta's wall. The released Ca2+ interacted mostly with carbonate-terminal of cellular protein chains accelerated the ascending aorta calcifications. Figure 1. FT-IR and Raman spectra Funding Acknowledgement Type of funding source: None

Synthesis and Characterization of Tris(trimethyltin) Thiophosphate (Me3Sn)3PO3S

1993 ◽  
Vol 48 (12) ◽  
pp. 1781-1783 ◽  
Author(s):  
Abdel-Fattah Shihada
Keyword(s):  
Aqueous Medium ◽  
Raman Spectra ◽  
Mass Spectra ◽  
Ir And Raman Spectra ◽  
Synthesis And Characterization ◽  
Polymeric Structure ◽  
Ir And Raman

(Me3Sn)3PO3S has been prepared from the reaction of Me3SnCl with Na3PO3S • 12 H2O under cooling in aqueous medium. Its IR and Raman spectra are found to be consistent with a polymeric structure with tetra- and penta-coordinated tin atoms. The 31P NMR and mass spectra of (Me3Sn)3PO3S are reported and discussed.

Polarized IR and Raman spectra of tetragonal NaBi(WO4)2, NaBi(MoO4)2 and LiBi(MoO4)2 single crystals with scheelite structure

1995 ◽  
Vol 348 ◽  
pp. 349-352 ◽  
Author(s):  
J. Hanuza ◽  
M. Mączka ◽  
J.H. van der Maas
Keyword(s):  
Single Crystals ◽  
Raman Spectra ◽  
Ir And Raman Spectra ◽  
Scheelite Structure ◽  
Ir And Raman

IR AND RAMAN SPECTROSCOPIC INVESTIGATIONS OF Cr2O3-TeO2-B2O3-SrO GLASSES

2004 ◽  
Vol 18 (09) ◽  
pp. 367-373 ◽  
Author(s):  
I. ARDELEAN ◽  
N. MUREŞAN ◽  
P. PĂŞCUŢĂ
Keyword(s):  
Raman Spectra ◽  
Glass Network ◽  
Ir And Raman Spectra ◽  
Structural Units ◽  
Raman Spectroscopic ◽  
Chromium Ions ◽  
Spectroscopic Investigations ◽  
Ir And Raman

The Cr 2 O 3 content influence on the structure of 70 TeO 2·25 B 2 O 3·5 SrO glasses, was investigated by infrared and Raman spectroscopies. The results show that BO 3 and BO 4 are among the main structural units in the investigated glasses, together with TeO 3 and TeO 4 units. The presence of chromium ions located in the glass network is well evidenced in the IR and Raman spectra.

Crystal structures of two crystalline forms of chloro-cis-diammine(1-methylcytosine-N3)platinum(II) nitrate, [PtCl(NH3)2(C5H7N3O)](NO3), and their proton NMR, IR, and Raman spectra

1981 ◽  
Vol 20 (2) ◽  
pp. 335-342 ◽  
Author(s):  
Bernhard. Lippert ◽  
Colin James Lyne. Lock ◽  
Robert Anthony. Speranzini
Keyword(s):  
Crystal Structures ◽  
Raman Spectra ◽  
Proton Nmr ◽  
Ir And Raman Spectra ◽  
Crystalline Forms ◽  
Ir And Raman

Relation between the valence-optical theories of IR and Raman spectra

1992 ◽  
Vol 57 (1-2) ◽  
pp. 551-553
Author(s):  
L. A. Gribov
Keyword(s):  
Raman Spectra ◽  
Ir And Raman Spectra ◽  
Ir And Raman

MTASpec software for calculating the vibrational IR and Raman spectra of large molecules at ab initio level

2022 ◽  
Vol 270 ◽  
pp. 108175
Author(s):  
Subodh S. Khire ◽  
Nityananda Sahu ◽  
Shridhar R. Gadre
Keyword(s):  
Ab Initio ◽  
Raman Spectra ◽  
Ir And Raman Spectra ◽  
Large Molecules ◽  
Ir And Raman

Synthesis and Vibrational and Mass Spectra of Ph3SnO2PMe2, Ph3SnO2PMePh and Ph3SnO2PPh2

1994 ◽  
Vol 49 (10) ◽  
pp. 1319-1323 ◽  
Author(s):  
Abdel-Fattah Shihada
Keyword(s):  
Raman Spectra ◽  
Mass Spectra ◽  
Ir And Raman Spectra ◽  
Phenyl Radicals ◽  
Ir And Raman ◽  
Fragmentation Processes ◽  
Polymeric Structures

AbstractThe reactions of (Ph3Sn)2O with PhMePOCl and with Ph2POCl lead to Ph3SnO2PMePh and Ph(SnO2PPh2, respectively. Ph3SnO2PMe2 has been prepared from the reaction of (Ph3Sn)2O and Me2PO2H in toluene. The IR and Raman spectra of Ph3SnO2PMe2, Ph3(SnO2PMePh and Ph3SnO2PPh2 are found to be consistent with polymeric structures with pentacoordinated tin atoms. The EI mass spectra indicate that the principal fragmentation processes of Ph3SnO2PRR′ (RR′ = Me2, MePh, Ph2) appear to occur by loss of phenyl radicals from tin and by elimination of the entire diorganophosphinate group.

ChemInform Abstract: Structure, IR and Raman Spectra, and Thermochemistry of Trithia(1.1.1) propellane

ChemInform ◽  
2010 ◽  
Vol 23 (37) ◽  
pp. no-no
Author(s):  
N. V. RIGGS ◽  
U. ZOLLER ◽  
NGUYEN MINH THO NGUYEN MINH THO ◽  
L. RADOM
Keyword(s):  
Raman Spectra ◽  
Ir And Raman Spectra ◽  
Abstract Structure ◽  
Ir And Raman
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