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Results for “Spectrum Analysis, Raman”

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At least 739 records · Page 41Linked to original sources

PubMed2006

Large Raman-scattering activities for the low-frequency modes of substituted benzenes: induced polarizability and stereo-specific ring-substituent interactions.

The large nonresonant Raman-scattering activities of the out-of-plane bending and torsional modes of monosubstituted benzene analogs are studied by low-frequency Raman experiments and B3LYP6-31++G(d,p) calculations. Electronic interactions between the sigma orbitals of the substituent and the pi orbitals of the ring are found to enhance the Raman activities, depending on the substituent and its conformation. In the case of tert-butylbenzene [C6H5C(CH3)3] and trimethylphenylsilane [C6H5Si(CH3)3], three single bonds which are linked to the alpha atom of the substituent have low rotational barriers around the joint bond. Nearly free rotation of the substituents leads to a significant probability for one of the single bonds to occupy a conformation close to the vertical configuration with respect to the ring at room temperature. The resultant sigma-pi electronic interaction gives rise to the large Raman activities. In contrast, those possessing a single bond in a coplanar (or nearly coplanar) configuration at the most stable equilibrium state, i.e., anisole (C6H5OCH3), thioanisole (C6H5SCH3), and N-methylaniline (C6H5NHCH3), display no prominent Raman bands for the low-frequency vibrational modes. In these molecules, the sigma-pi conjugation does not take place due to the orthogonal orientation of the orbitals. Strong conformational dependence of the sigma-pi Raman enhancement is clearly obtained for the metastable vertical conformer of thioanisole, for which Raman activities are one-order magnitude greater than those of the coplanar conformer.

Algorithms↗

PubMed2003

Why Raman spectroscopy on Mars?--a case of the right tool for the right job.

We provide a scientific rationale for the astrobiological investigation of Mars. We suggest that, given practical constraints, the most promising locations for the search for former life on Mars are palaeolake craters and the evaporite deposits that may reside within them. We suggest that Raman spectroscopy offers a promising tool for the detection of evidence of former (or extant) biota on Mars. In particular, we highlight the detection of hopanoids as long-lived bacterial cell wall products and photosynthetic pigments as the most promising targets. We further suggest that Raman spectroscopy as a fibre optic-based instrument lends itself to flexible planetary deployment.

Bacteria↗

PubMed1978

Resonance Raman spectra of riboflavin and its derivatives in the bound state with egg riboflavin binding proteins.

The resonance Raman spectra of riboflavin (RF) and its derivatives, including 3-deuterated (3-D RF), 3-methyl (3-CH3 RF), 3-carboxymethyl (3-CH2COOH RF), and 7,8-dichlororiboflavins (7,8-Cl RF), in H2O and D2O were observed in the 700-1700 cm-1 region. The fluorescence problem of riboflavin was overcome by complex formation of riboflavin with riboflavin binding proteins. The observed frequencies of Raman lines of RF are in good agreement with those of glucose oxidase obtained by Spiro et al. by the resonance CARS method, although the present spectral range is extended to much lower frequency with a higher signal-to-noise ratio than that for glucose oxidase. The observed Raman lines were assigned to the individual ring modes of isoalloxazine on the basis of the Raman spectra of appropriate model compounds such as uracil, pyrazine, and o-xylene. The 1253 cm-1 line of RF was shifted to ca. 1300 cm-1 for 3-D RF, 3-CH3 RF, and 3-CH2COOH RF, and accordingly can be assigned to the CN stretching mode of Ring III. The 1632 cm-1 line of RF was shifted for 7,8-Cl RF and was assigned to a Ring I mode. No Raman line mainly due to C = O stretching mode was observed in the present resonance Raman spectra.

Carrier Proteins↗

PubMed2002

Smoothing low-SNR molecular images via anisotropic median-diffusion.

We propose a new anisotropic diffusion filter for denoising low-signal-to-noise molecular images. This filter, which incorporates a median filter into the diffusion steps, is called an anisotropic median-diffusion filter. This hybrid filter achieved much better noise suppression with minimum edge blurring compared with the original anisotropic diffusion filter when it was tested on an image created based on a molecular image model. The universal quality index, proposed in this paper to measure the effectiveness of denoising, suggests that the anisotropic median-diffusion filter can retain adherence to the original image intensities and contrasts better than other filters. In addition, the performance of the filter is less sensitive to the selection of the image gradient threshold during diffusion, thus making automatic image denoising easier than with the original anisotropic diffusion filter. The anisotropic median-diffusion filter also achieved good denoising results on a piecewise-smooth natural image and real Raman molecular images.

Anisotropy↗

PubMed2005

Raman probe using a single hollow waveguide.

A simple Raman probe was realized using a single flexible hollow waveguide (HW). A HW coated with a silver film, which had reasonable transmission and little optical background noise, was used as a bidirectional transmission fiber for both the excitation and collection of Raman scattered light. The HW itself generated no Raman scattering or fluorescence noise during transmission. A complex filtering system at the end of the waveguide was thus unnecessary. In addition, the measured Raman spectra showed better signal-to-noise ratios than a conventional Raman fiber probe. The HW's suitability as a Raman fiber probe was also demonstrated.

Equipment Design↗

PubMed2002

[Secondary Raman spectrum of beta-carotene molecule in living leaf of French phoenix tree].

Under visible incidence light 514.5 nm, the Raman scattering spectrum from the beta-carotene molecule in the leaf was directly obtained after it was immediately collected from French phoenix tree without any preparing the sample but cleaning. It is very easy to collect the secondary Raman lines addition to the first Raman spectrum in situ by micro Raman. By careful comparing and analyzing the Raman lines between 2,000-3,100 cm-1 and below 2,000 cm-1 regions, we obtained the correlated relation of the first and secondary Raman lines. The study results indicated that there is no damage to the structure and configuration of beta-carotene molecule in the live leaf by controlling laser power on the sample surface and integrating time for Raman signal, but large power laser or long time irradiation on the live sample would cause very strong fluorescence background in Raman spectrum which indicated that there is a photo damage in the center of photo reaction. The Micro Raman would become one of possible in situ methods for investigating live plant molecules growing up in different environment. At last we proposed and discussed the advantages and limits in micro Raman when it is applied to investigating live molecules in botany field.

Magnoliopsida↗

PubMed1984

Sequence-dependant polymorphism of DNA duplex in solutions.

Raman spectra of six synthetic polydeoxyribonucleotide duplexes with different base sequences have been examined in aqueous solutions with different salt or nucleotide concentrations. Detailed conformational differences have been indicated between B and Z forms of poly[d(G-C)] X poly[d(G-C)], between B forms of poly[d(G-C)] X poly[d(G-C)] and poly[d(G-m5C)] X poly[d(G-m5C)], between A and B forms of poly(dG) X poly(dC), between B and "CsF" forms of poly[d(A-T)] X poly[d(A-T)], between B forms of poly[d(A-U)] X poly[d(A-U)] and poly[d(A-T)] X poly[d(A-T)], and between low- and high-salt (CsF) forms of poly(dA) X poly(dT). The Raman spectrum of calf-thymus DNA in aqueous solution was also observed and was compared with the Raman spectra of its fibers in A, B, and C forms.

Animals↗

PubMed1993

Absence of ligand binding-induced tertiary changes in the multimeric earthworm Lumbricus terrestris hemoglobin. A resonance Raman study.

In vertebrate hemoglobins, changes in protein tertiary structure induced by either ligand binding or changes in quaternary state are manifested at the heme as reflected in resonance Raman spectral changes involving the iron-proximal histidine stretching mode. No such changes are observed for Lumbricus terrestris hemoglobin. The iron-histidine stretching mode and the porphyrin breathing motion in the deoxy-, oxy-, or CO-photodissociated forms of Lumbricus hemoglobin and human hemoglobin A (pH 7.0 and 9.2, the latter to effect Lumbricus hemoglobin subunit dissociation) were studied using pulsed (10 ns) light at 435 nm. In contrast to that observed for hemoglobin A, a comparison of the spectra of the deoxy and photoproduct forms of Lumbricus hemoglobin reveal minimal differences in the region of the iron-histidine and the pi electron distribution in the heme moiety. The spectral frequencies are similar to that observed in R-state vertebrate hemoglobins. Such average behavior of the approximately 192 hemes present in Lumbricus hemoglobin is more analogous to the Raman spectral properties observed in myoglobin.

Animals↗

PubMed2006

Quantitative multiplex CARS spectroscopy in congested spectral regions.

A novel procedure is developed to describe and reproduce experimental coherent anti-Stokes Raman scattering (CARS) data, with particular emphasis on highly congested spectral regions. The approach, exemplified here with high-quality multiplex CARS data, makes use of spontaneous Raman scattering results. It is shown that the underlying vibrational Raman response can be retrieved from the multiplex CARS spectra, so that the Raman spectrum can be reconstituted, provided an adequate signal-to-noise ratio (SNR) is present in the experimental data and sufficient a priori knowledge of the vibrational resonances involved exists. The conversion of CARS to Raman data permits a quantitative interpretation of CARS spectra. This novel approach is demonstrated for highly congested multiplex CARS spectra of adenosine mono-, di-, and triphosphate (AMP, ADP, and ATP), nicotinamide adenine dinucleotide (NAD+), and small unilamellar vesicles (SUVs) of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC). Quantitative determination of nucleotide concentrations and composition analysis in mixtures is demonstrated.

Adenosine Triphosphate↗

PubMed2002

Confocal Raman microscopy for monitoring chemical reactions on single optically trapped, solid-phase support particles.

Optical trapping of small structures is a powerful tool for the manipulation and investigation of colloidal and particulate materials. The tight focus excitation requirements of optical trapping are well suited to confocal Raman microscopy. In this work, an inverted confocal Raman microscope is developed for studies of chemical reactions on single, optically trapped particles and applied to reactions used in solid-phase peptide synthesis. Optical trapping and levitation allow a particle to be moved away from the coverslip and into solution, avoiding fluorescence interference from the coverslip. More importantly, diffusion of reagents into the particle is not inhibited by a surface, so that reaction conditions mimic those of particles dispersed in solution. Optical trapping and levitation also maintain optical alignment, since the particle is centered laterally along the optical axis and within the focal plane of the objective, where both optical forces and light collection are maximized. Hour-long observations of chemical reactions on individual, trapped silica particles are reported. Using two-dimensional least-squares analysis methods, the Raman spectra collected during the course of a reaction can be resolved into component contributions. The resolved spectra of the time-varying species can be observed, as they bind to or cleave from the particle surface.

Combinatorial Chemistry Techniques↗

PubMed2002

Critical behavior of the disorder-induced Raman modes close to the lambda-phase transition in NH4Cl.

This study gives our analysis of the disorder-induced Raman modes of v7 (93 cm(-1)) and v5 (144 cm(-1)) close to the lambda-phase transition (P = 0) in the NH4Cl crystal. We describe the critical behavior of the frequency shifts for those modes by a power-law formula and using our Raman data we obtain the value of 0.1 for the critical exponent which can also describe the critical behavior of the thermal expansivity and the specific heat of NH4Cl close to its lambda-phase transition (Tlambda = 242.9 K).

Ammonium Chloride↗

PubMed1982