Specific Applications of Vibrational Spectroscopy in Biomedical Engineering

Olsztyńska-Janus, Sylwia; Gąsior-Głogowska, Marlena; Szymborska-Małek, Katarzyna; Czarnik-Matusewicz, Bogusława; Komorowska, Małgorzata

doi:10.5772/13121

Cited by 14 publications

(16 citation statements)

References 113 publications

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“…Additionally, the modifications in the structures of these nucleic acids also are important for the design of new drug with better properties and with diminished side effects during the treatment . On the other hand, the vibrational spectroscopy is a technique very useful to characterize DNA nucleosides and their derivatives as well as metal‐mediated nucleic acid base pairs . Therefore, the temperature dependence of the Raman spectrum of DNA was analyzed by Movileanu et al using a spectrometer of high‐spectral precision and sensitivity, whereas the molecular structures of thymidine isomers isolated in low‐temperature inert matrices were studied by Ivanov et al Time‐resolved infrared spectroscopy of the lowest triplet state of thymine and thymidine were reported by Hare et al, whereas a systematic assignments and correlation of the spectral frequencies of thymidine and the stereoisotopomer (2' S )‐[2'‐ 2 H] thymidine were proposed by Tsuboi et al using the infrared and Raman spectra.…”

Section: Introductionmentioning

confidence: 99%

A structural and vibrational investigation on the antiviral deoxyribonucleoside thymidine agent in gas and aqueous solution phases

Márquez

Brandán

2013

Int. J. Quantum Chem.

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A structural and vibrational study on the antiviral deoxyribonucleoside thymidine in gas and aqueous solution phases was performed combining the available infrared and Raman spectra with density functional theory (DFT) calculations. Three stable conformers for the title molecule were theoretically determined in both media by using the hybrid B3LYP method together with the 6–31G* basis set. The solvent effects were studied by means of the self‐consistent reaction field method employing the polarized continuum model. Complete assignments of the vibrational spectra of thymidine in both phases were performed combining the DFT calculations with Pulay's scaled quantum mechanics force field methodology. The bond orders, atomic charges, solvation energies, dipole moments, molecular electrostatic potentials, and force constants parameters were calculated for the three conformers of thymidine in gas phase and aqueous solution. Selected descriptors, such as chemical potential (µ), electronegativity (χ), global hardness (η), global softness (S), and global electrophilicity index (ω) were used to explain the exact nature of the interactions with electrophiles and/or nucleophiles and to predict the behavior of the three conformers of thymidine in gas and aqueous solution phases. © 2013 Wiley Periodicals, Inc.

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Section: Introductionmentioning

confidence: 99%

A structural and vibrational investigation on the antiviral deoxyribonucleoside thymidine agent in gas and aqueous solution phases

Márquez

Brandán

2013

Int. J. Quantum Chem.

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“…The chemical characteristics of both organic and inorganic matter are analysed using, among other, optic crystallography, X-ray diffraction, and infrared spectroscopy (Byrne et al, 1989;Vanhoe et al, 1989;Krachler et al, 1998;Olszytńska-Janus et al, 2008, Olsztyńska-Janus et al, 2012Guidotti et al, 2008;Sun et al, 2009). It can, therefore, be concluded that different methods give different kinds of information (Guidotti et al, 2008).…”

Section: Introductionmentioning

confidence: 99%

Chemical composition of human and canine fascia lata.

Maksymowicz

Marycz²,

Szotek³

et al. 2012

Acta Biochim Pol

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The fascial system is an integral part of the musculoskeletal system. It is a three-dimensional network of connective tissue spreading ubiquitously throughout the body, surrounding muscles, bones, internal organs, nerves, vessels, and other structures. The basic biophysical properties of the fascial system are determined by its structure and chemical composition. This study aimed to determine the elemental composition of pathologically unchanged fascia lata of the thigh, collected during autopsies on humans and dogs. The wide spectrum of elements analysed included both macro and micro elements. The analyses were conducted using scanning electron microscopy with X-ray microanalysis (SEM-EDS). Concentrations of the following macro and micro elements were dermined: C, N, O, Na, Mg, Al, Si, P, S, Cl, K, Ca, Ti, Fe Co, Ni, Cu, and Zn. The obtained results showed significant differences between human and canine fascia lata regarding the content of most of the examined elements (p < 0.05), except for N. These data may in future provide a starting point for the establishment of reference values for the content of various elements in normal fascial tissue and may also serve to verify the usefulness of experimental animal material as a substitute for human tissue.

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“…In this case this molecular modification is reversible but in other conditions (i.e., high irradiation dose) it may be irreversible. [19][20][21][22] However, a stronger bond specific to a certain field was not noticed, most likely due to the limited number of cases studied, but also to the superposition of the effects generated by each spectral range used for irradiation. In this case the statistical analyses are useful to a thorough investigation.…”

Section: Discussionmentioning

confidence: 98%

“…1. Based on literature data, [18][19][20][21][22] the infrared signals may be assigned to chemical bonds in the following way: dd (d, in-plane bending d, deoxyribose) corresponding to 880 cm À1 , n(C-C) of backbone corresponding to 970 cm À1 , n(C-O)d corresponding to 1013 cm À1 , n(C-O)d corresponding to 1045 cm À1 , n s (PO 2 À) corresponding to 1088 cm À1 , n(C1'C2'OC3') corresponding to 1145 cm À1 and n as (PO 2 À) corresponding to 1230 cm À1 .…”

Section: Spectral Modifications By Uv-vis Irradiationmentioning

confidence: 99%

“…Each region contains contributions of bands appearing from specific parts of nucleic acid structure; for example, 1800-1500 cm À1 corresponds to C = O, C = N, C = C, and N-H stretching (n) vibrations of bases; 1500-1250 cm À1 corresponds to base-sugar vibrations; 1250-1000 cm À1 corresponds to sugar-phosphate; and 1000-800 cm À1 corresponds to sugar moiety. [18][19][20][21] Some of the reversible effects of UV radiation on nucleic acids are hydration of pyrimidine bases and dimerization of nitrogenous bases pairs. [3] FTIR-ATR spectra of DNA extract from control and irradiated kiwifruit samples with different doses are shown in Fig.…”

Section: Spectral Modifications By Uv-vis Irradiationmentioning

confidence: 99%

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Modifications Induced by UV-Vis Irradiation on DNA Extract of Kiwifruit Investigated by Spectroscopic and Statistic Methods

Lazar

Ifrim

Grosu

et al. 2013

Spectroscopy Letters

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Revealing molecular alterations induced on kiwifruit under UV-Vis irradiation requires a discussion of biochemical-cell infrared (IR) fingerprint (900 cm À1 -1800 cm À1 ) bands characteristic of nucleic acids. FTIR-ATR spectroscopy and statistics and nondestructive methods for screening exposure effects induced by irradiation were used. There the irradiation influence on the main molecular bonds (i.e., n(C-C), n s (PO 2 À) and n as (PO 2 À)) can be observed. Regression methods were used for statistical investigations. Two categories of variables were used: the absorbance measured at fixed wavenumber variables and the exposure dose. The bivariate correlations, partial correlations, and polynomial regression methods from SPSS were used for statistical investigations. The obtained results show that FTIR-ATR, in correlation with statistics techniques, might be useful to assess immediate radiation and oxidative-induced damage to nucleic acids. In this case IR spectroscopy can be used successfully to study conformational changes during DNA reversible denaturation especially on the sugar-phosphate vibrations domain.

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Specific Applications of Vibrational Spectroscopy in Biomedical Engineering

Cited by 14 publications

References 113 publications

A structural and vibrational investigation on the antiviral deoxyribonucleoside thymidine agent in gas and aqueous solution phases

A structural and vibrational investigation on the antiviral deoxyribonucleoside thymidine agent in gas and aqueous solution phases

Chemical composition of human and canine fascia lata.

Modifications Induced by UV-Vis Irradiation on DNA Extract of Kiwifruit Investigated by Spectroscopic and Statistic Methods

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