Search Results - "Téllez Soto, C.A"

Assessment of penetration of Ascorbyl Tetraisopalmitate into biological membranes by molecular dynamics by Machado, N.C.F, dos Santos, L, Carvalho, B.G, Singh, P, Téllez Soto, C.A, Azoia, N.G, Cavaco-Paulo, A, Martin, A.A, Favero, P.P

“…Abstract The present work, involves the simulation of the transport of a vitamin C derivative, Ascorbyl Tetraisopalmitate (ATI), through human skin by…”
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An experimental and theoretical approach of spectroscopic and structural properties of the bis(diethyldithiocarbamate)–cobalt(II) by Costa Júnior, A.C., Versiane, O., Faget Ondar, G., Ramos, J.M., Ferreira, Glaucio B., Martin, A.A., Téllez Soto, C.A.

“…► Synthesis of bis-diethyldithiocarbamate Co (II) was carried out. ► The FT-IR and Raman spectra of [Co(DDTC)2] were carried out. ► The Bond Orbital Analysis…”
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DFT application for chlorin derivatives photosensitizer drugs modeling by Machado, Neila, Carvalho, B.G., Téllez Soto, C.A., Martin, A.A., Favero, P.P.

“…Photodynamic therapy is an alternative form of cancer treatment that meets the desire for a less aggressive approach to the body. It is based on the…”
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DFT: B3LYP/6-311G (d, p) vibrational analysis of bis-(diethyldithiocarbamate)zinc (II) and natural bond orbitals by Costa, A.C., Ondar, G.F., Versiane, O., Ramos, J.M., Santos, T.G., Martin, A.A., Raniero, L., Bussi, G.G.A., Téllez Soto, C.A.

“…[Display omitted] ► Synthesis of bis-diethyldithiocarbamate Zn(II) was carried out. ► The FT-IR and Raman spectra of [Zn(DDTC)2] were carried out. ► The…”
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Surface enhanced Raman scattering, natural bond orbitals and Mulliken atomic charge distribution in the normal modes of diethyldithiocarbamate cadmium (II) complex, [Cd(DDTC)2] by Téllez Soto, C.A., Costa, A.C., Versiane, O., Lemma, T., Machado, N.C.F., Mondragón, M.A., Martin, A.A.

“…[Display omitted] •SERS for [Cd(DDTC)2] was obtained on nano-structured silver surfaces.•Electronic spectrum was measured and charge transfer bands (CT) were…”
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Surface enhanced Raman scattering, electronic spectrum, natural bond orbital, and mulliken charge distribution in the normal modes of diethyldithiocarbamate copper (II) complex, [Cu(DDTC)2] by Téllez Soto, C.A., Costa, A.C., Ramos, J.M., Vieira, L.S., Rost, N.C.V., Versiane, O., Rangel, J.L., Mondragón, M.A., Raniero, L., Martin, A.A.

“…•SERS for [Cu(DDTC)2] complex was obtained on nano-structured silver and silver-gold surfaces.•Electronic spectrum was measured and charge transfer bands (CT)…”
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Fourier Transform Infrared and Raman spectra, DFT: B3LYP/6-311G(d, p) calculations and structural properties of bis(diethyldithiocarbamate)copper(II) by Costa, A.C., Ramos, J.M., Téllez Soto, C.A., Martin, A.A., Raniero, L., Ondar, G.F., Versiane, O., Moraes, L.S.

“…[Display omitted] ► Synthesis of bis(diethyldithiocarbamate)Cu(II) was carried out. ► The FT-IR and Raman spectra of [Cu(DDTC)2] were carried out. ► The…”
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Surface enhancement Raman scattering of tautomeric thiobarbituric acid. Natural bond orbitals and B3LYP/6-311+G (d, p) assignments of the Fourier Infrared and Fourier Raman Spectra by Téllez Soto, C.A., Ramos, J.M., Costa Junior, A.C., Vieira, Laís S., Rangel, João L., Raniero, L., Fávero, Priscila P., Lemma, Tibebe, Ondar, Grisset F., Versiane, Otavio, Martin, A.A.

“…[Display omitted] •The FT-IR and Raman spectra of ATB were carried out.•Spectra interpretation have been based on Infrared and Raman second derivative spectra,…”
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Surface enhanced Raman scattering, electronic spectrum and Mulliken charge distribution in the normal modes of bis(diethyldithiocarbamate)zinc(II) complex by Téllez Soto, C.A., Costa, A.C., Ramos, J.M., Versiane, O., Ondar, G.F., Ferreira, G.B., Fávero, P.P., Rangel, J.L., Raniero, L., Bueno Costa, G., Bussi, G.G.A., Martin, A.A.

“…[Display omitted] •SERS for [Zn(DDTC)2] complex was obtained on nano-structured silver surface.•Electronic spectrum was measured and charge transfer bands (CT)…”
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Molecular structure, natural bond analysis, vibrational, and electronic spectra of aspartateguanidoacetatenickel(II), [Ni(Asp)(GAA)]·H2O: DFT quantum mechanical calculations by Ramos, J.M., de M. Cruz, M.T., Costa, A.C., Ondar, G.F., Ferreira, Glaucio B., Raniero, L., Martin, A.A., Versiane, O., Téllez Soto, C.A.

“…[Display omitted] ► Synthesis of aspartateguanidoacetatenickel (II) was carried out. ► The FT-IR and the FT-Raman spectra of [Ni(Asp)(GAA)] were recorded and…”
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DFT studies of structure and vibrational frequencies of isotopically substituted diamin uranyl nitrate using relativistic effective core potentials by Soto, C.A. Téllez, Carauta, A.N.M., Carneiro, J. W. de M.

“…The infrared and Raman spectra of UO 2(NH 3) 2(NO 3) 2 with 14NH 3/ 15NH 3 isotopic substitution were measured. The structure was optimized and the vibrational…”
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Vibrational normal modes of diazo-dimedone: A comparative study by Fourier infrared/Raman spectroscopies and conformational analysis by MM/QM by Téllez Soto, C.A., Ramos, J.M., Rianelli, R.S., de Souza, M.C.B.V., Ferreira, V.F.

“…The 2-diazo-5,5-dimethyl-cyclohexane-1,3-dione ( 3) was synthesized and the FT-IR/Raman spectra were measured with the purpose of obtain a full assignment of…”
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In vivo Raman spectroscopic characterization of papillary thyroid carcinoma by Medeiros-Neto, L.P., Tellez Soto, C.A., Chagas, M.J., Carvalho, L.F.C., Rajasekaran, R., Martin, A.A

“…•Raman spectroscopy use in identifying lesions in hard to reach places.•Biochemical changes could be observed.•Raman spectroscopy can be used in the diagnosis…”
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