2012 |
Carcamo, J J; Aliaga, A E; Clavijo, E; Branes, M; Campos-Vallette, M Raman Study of the Shockwave Effect on Collagens Artículo de revista Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy, 86 , pp. 360-365, 2012, ISSN: 1386-1425. Resumen | Enlaces | BibTeX | Etiquetas: amino-acids, collagens, conformation, dependence, infrared-spectra, raman, scattering, shockwaves, spectroscopy, time tissues @article{carcamo2012raman, title = {Raman Study of the Shockwave Effect on Collagens}, author = { J.J. Carcamo and A.E. Aliaga and E. Clavijo and M. Branes and M. Campos-Vallette}, url = {/brokenurl#<Go to ISI>://WOS:000300515500052}, doi = {10.1016/j.saa.2011.10.049}, issn = {1386-1425}, year = {2012}, date = {2012-01-01}, journal = {Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy}, volume = {86}, pages = {360-365}, publisher = {2011 Elsevier B.V.}, abstract = {The Raman spectra (1800-200 cm(-1)) of isolated dried collagen types land ill were recorded at different times after shockwave (SW) application in aqueous media. SWs were applied in a single session. One week after the SW application the vibrational data analysis indicates changes in the conformation of the collagens; orientational changes are also inferred. During the next three weeks collagens tended to recover the conformation and orientation existing before SW application.}, keywords = {amino-acids, collagens, conformation, dependence, infrared-spectra, raman, scattering, shockwaves, spectroscopy, time tissues}, pubstate = {published}, tppubtype = {article} } The Raman spectra (1800-200 cm(-1)) of isolated dried collagen types land ill were recorded at different times after shockwave (SW) application in aqueous media. SWs were applied in a single session. One week after the SW application the vibrational data analysis indicates changes in the conformation of the collagens; orientational changes are also inferred. During the next three weeks collagens tended to recover the conformation and orientation existing before SW application. |
Diaz-Fleming, G; Celis, F; Aracena, A; Campos-Vallette, M; Aliaga, A E; Koch, R Vibrational and Scaled Quantum Chemical Study of O,O-Dimethyl S-Methylcarbamoylmethyl Phosphorodithioate, Dimethoate Artículo de revista Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy, 89 , pp. 222-230, 2012, ISSN: 1386-1425. Resumen | Enlaces | BibTeX | Etiquetas: analysis, assignment basis, calculations, compounds, coordinate dft dimethoate, field, force force-constants, gaussian-type infrared, infrared-spectra, methods, molecular-orbital monosubstituted normal organic-molecules, phosphorus raman, sqm @article{RN97, title = {Vibrational and Scaled Quantum Chemical Study of O,O-Dimethyl S-Methylcarbamoylmethyl Phosphorodithioate, Dimethoate}, author = { G. Diaz-Fleming and F. Celis and A. Aracena and M. Campos-Vallette and A.E. Aliaga and R. Koch}, url = {/brokenurl#<Go to ISI>://WOS:000301471600032}, doi = {10.1016/j.saa.2011.12.032}, issn = {1386-1425}, year = {2012}, date = {2012-01-01}, journal = {Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy}, volume = {89}, pages = {222-230}, publisher = {2011 Elsevier B.V.}, abstract = {Infrared and Raman spectra of O,O-dimethyl S-methylcarbamoylmethylphosphorodithioate, dimethoate, have been recorded. Density functional theory, DFT, with the B3LYP functional was used for the optimization of the ground state geometry and simulation of the infrared and Raman spectra of this molecule. Calculated geometrical parameters fit very well with the experimental ones. Based on the recorded data, the DFT results and a normal coordinate analysis based on a scaled quantum mechanical (SQM) force field approach, a complete vibrational assignment was made for the first time.}, keywords = {analysis, assignment basis, calculations, compounds, coordinate dft dimethoate, field, force force-constants, gaussian-type infrared, infrared-spectra, methods, molecular-orbital monosubstituted normal organic-molecules, phosphorus raman, sqm}, pubstate = {published}, tppubtype = {article} } Infrared and Raman spectra of O,O-dimethyl S-methylcarbamoylmethylphosphorodithioate, dimethoate, have been recorded. Density functional theory, DFT, with the B3LYP functional was used for the optimization of the ground state geometry and simulation of the infrared and Raman spectra of this molecule. Calculated geometrical parameters fit very well with the experimental ones. Based on the recorded data, the DFT results and a normal coordinate analysis based on a scaled quantum mechanical (SQM) force field approach, a complete vibrational assignment was made for the first time. |
2012 |
Raman Study of the Shockwave Effect on Collagens Artículo de revista Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy, 86 , pp. 360-365, 2012, ISSN: 1386-1425. |
Vibrational and Scaled Quantum Chemical Study of O,O-Dimethyl S-Methylcarbamoylmethyl Phosphorodithioate, Dimethoate Artículo de revista Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy, 89 , pp. 222-230, 2012, ISSN: 1386-1425. |