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PubMed2004

Numerical modeling of a four-wave-mixing-assisted Raman fiber laser.

We present a new numerical model of cascaded Raman fiber lasers that takes into account the chromatic dispersion of the fiber and includes the full spectrum of the intracavity field. This model explains and describes remarkably well a new operating regime found experimentally and reveals that chromatic dispersion is truly a new degree of freedom in the design of cascaded Raman lasers.

Algorithms↗
PubMed1991

The mechanism of sunlight-mediated inactivation of Bacillus thuringiensis crystals.

Detailed photostability studies were carried out using purified delta-endotoxin crystals from Bacillus thuringiensis subspecies HD-1 and HD-73. The mechanism and time course of sunlight inactivation was investigated by: (a) monitoring the tryptophan damage in the intact crystals by Raman spectroscopy, (b) amino acid analysis and (c) biological assays using insects. The results demonstrate that, for purified HD-1 or HD-73 crystals, the 300-380 nm range of the solar spectrum is largely responsible for bringing about crystal damage and consequent loss of toxicity. Purified Bacillus thuringiensis crystals that were exposed to fermentation liquor after cell lysis were more quickly degraded by sunlight than were crystals from cells that were lysed in water. This effect is attributed to adsorption of chromophores by crystals exposed to the fermenter liquor and the subsequent ability of these chromophores to act as photosensitizers. The importance of a photosensitization mechanism in crystal degradation was further emphasized by irradiating Bacillus thuringiensis crystals in vacuo. The latter crystals were found to be less damaged (20% tryptophan loss after 24 h irradiation by the solar spectrum) compared with crystals from the same sample irradiated in air (60% (60% tryptophan loss). Other methods of decreasing exposure of the crystals to oxygen, e.g. by using glycerol as a humectant, were also found to be successful in controlling photodamage. The results concerning photodegradation support a photosensitization mechanism involving the presence of exogenous (and possibly endogenous) chromophores which create singlet oxygen species upon irradiation by light.

Amino Acids↗
PubMed2002

Identifying microcalcifications in benign and malignant breast lesions by probing differences in their chemical composition using Raman spectroscopy.

We have applied Raman spectroscopy to analyze the chemical composition of microcalcifications occurring in benign and malignant lesions in the human breast. Microcalcifications were initially separated into two categories based on their Raman spectrum: type I, calcium oxalate dihydrate, and type II, calcium hydroxyapatite. Type I microcalcifications were diagnosed as benign, whereas type II were subdivided into benign and malignant categories using principal component analysis, a statistical technique. Although type II microcalcifications are primarily composed of calcium hydroxyapatite, they also contain trace amounts of several biological impurities. Using principal component analysis, we were able to highlight subtle chemical differences in type II microcalcifications that correlate with breast disease. On the basis of these results, we believe that type II microcalcifications formed in benign ducts typically contain a larger amount of calcium carbonate and a smaller amount of protein than those formed in malignant ducts. Using this diagnostic strategy, we were able to distinguish microcalcifications occurring in benign and malignant ducts with a sensitivity of 88% and a specificity of 93%. This is a significant improvement over current X-ray mammography techniques, which are unable to reliably differentiate microcalcifications in benign and malignant breast lesions.

Adult↗
PubMed1988

Nitric oxide adducts of the binuclear iron site of hemerythrin: spectroscopy and reactivity.

Nitric oxide forms adducts with the binuclear iron site of hemerythrin (Hr) at [Fe(II),Fe(II)]deoxy and [Fe(II),Fe(III)]semimet oxidation levels. With deoxyHr our results establish that (i) NO binds reversibly, forming a complex which we label deoxyHrNO, (ii) NO forms a similar but distinct complex in the presence of fluoride, which we label deoxyHrFNO, (iii) NO is directly coordinated to one iron atom of the binuclear pair in these adducts, most likely in a bent end-on fashion, and (iv) the iron atoms in the binuclear sites of both deoxyHrNO and deoxyHrFNO are antiferromagnetically coupled, thereby generating unique electron paramagnetic resonance (EPR) detectable species. The novel EPR signal of deoxyHrNO (deoxyHrFNO) with g[[ = 2.77 (2.58) and g = 1.84 (1.80) is explained by the magnetic interaction of the Fe(II) (S' = 2) and [FeNO]7 (S = 3/2) centers observed by Mössbauer spectroscopy. Antiferromagnetic coupling leads to a ground state of Seff = 1/2. Analysis of the EPR parameters using the isotropic spin-exchange Hamiltonian, Hex = 2JS3/2.S2, and including zero-field splitting leads to a coupling constant, -J approximately 23 cm-1, for deoxyHrNO. The resonance Raman spectrum of deoxyHrNO shows features at 433 and 421 cm-1 that shift downward with 15N16O and that are assigned to stretching and bending modes, respectively, of the [FeNO]7 unit. Sensitivity of the bending mode to D2O suggests that bound NO participates in hydrogen bonding. We propose that the terminal oxygen atom of NO is hydrogen bonded to the proton of the mu-hydroxo bridge in the Fe-(OH)-Fe unit. A bent Fe-N-O geometry is supported by spectroscopic and structural comparisons to synthetic complexes and is consistent with a limiting [FeII,FeIIINO-] formulation for deoxyHrNO. Reversibility of NO binding to deoxyHr is demonstrated by bleaching of the optical and EPR spectra of deoxyHrNO upon additions of excess N3- or CNO-. DeoxyHrNO undergoes autoxidation under anaerobic conditions over the course of several hours. The product of this autoxidation appears to be an EPR-silent NO adduct of semimetHr. The formal one-electron oxidations of the binuclear iron site of deoxyHr by NO and by HNO2 can conceivably occur with no net change in charge on the iron site. In contrast, autoxidation of oxy- to metHr requires a change in net charge on the iron site, which may provide a kinetic barrier.

Animals↗
PubMed1997

Structure of stratum corneum lipids characterized by FT-Raman spectroscopy and DSC. III. Mixtures of ceramides and cholesterol.

The thermotropic and lyotropic phase behaviour of mixtures of ceramides type IV and cholesterol was investigated using Fourier transform (FT) Raman spectroscopy and differential scanning calorimetry (DSC). In the dry and in the fully hydrated state of these mixtures the DSC-curves exhibit an eutectic melting followed by the melting of the residual solid component. The Raman spectrum of the mixtures is complex, nevertheless, the appearance of the conformationally dependent bands indicates the ordered structure of the hydrocarbon chains. The temperature dependence of the conformationally sensitive bands in the CH2 stretching region (2800-2975 cm-1) and in the chain C-C stretching region (1050-1150 cm-1) was used to estimate the degree of order in terms of the relative population of trans and gauche conformers. The spectrum of the pure cholesterol shows only a weak temperature dependence in the CH2 stretching region and, therefore, the decrease of the intensity of the asymmetric CH2 stretching mode at 2880 cm-1 can be attributed to the melting of the alkyl chains of ceramides. The temperature and width of the phase transition, derived from Raman data, are similar to those of the DSC study.

Calorimetry, Differential Scanning↗
PubMed2004

The detection of drugs of abuse in fingerprints using Raman spectroscopy II: cyanoacrylate-fumed fingerprints.

This paper describes the application of Raman spectroscopy to the detection of exogenous substances in cyanoacrylate-fumed fingerprints. The scenario considered was that of an individual handling a substance and subsequently depositing a contaminated fingerprint. These fingerprints were enhanced by cyanoacrylate fuming, a process in which a layer of white cyanoacrylate polymer is deposited on the fingerprint material, enabling visual detection. Five drugs of abuse (codeine phosphate, cocaine hydrochloride, amphetamine sulphate, barbital and nitrazepam) and five non-controlled substances of similar appearance, which may be used in the adulteration of drugs of abuse (caffeine, aspirin, paracetamol, starch and talc), were used. The substances studied could be clearly distinguished using their Raman spectra and were all successfully detected in cyanoacrylate-fumed fingerprints. Photobleaching was necessary to reduce the fluorescence background in the spectra of some substances. Raman spectra obtained from the substances in cyanoacrylate-fumed fingerprints were of a similar quality to spectra obtained from the substances under normal sampling conditions, however, interfering Raman bands arising from the cyanoacrylate polymer were present in the spectra. In most cases the only interfering band was the C triple bond N stretching mode of the polymer, and there were no cases where the interfering bands prevented identification of the substances. If necessary, the interfering bands could be successfully removed by spectral subtraction. The most difficult aspect of the detection of these substances in cyanoacrylate-fumed fingerprints was visually locating the substance in the fingerprint beneath the polymer layer in order to obtain a Raman spectrum.

Cyanoacrylates↗
PubMed1979

Kinetics of hydrogen-deuterium exchange in guanosine 5'-monophosphate and guanosine 3':5'-monophosphate determined by laser-Raman spectroscopy.

Pseudo-first-order rate constants governing the deuterium exchange of 8-CH groups in guanosine 5'-monophosphate (5'-rGMP) and guanosine 3':5'-monophosphate (cGMP) were determined as a function of temperature in the range 30-80 degrees C by means of laser-Raman spectroscopy. For each guanine nucleotide the logarithm of the rate constant exhibits a strictly linear dependence on reciprocal temperature: i.e., k psi = Ae-Ea/RT with A = 8.84 X 10(14) h-1 and Ea = 24.6 kcal/mol for 5'-rGMP and A = 3.33 X 10(13) h-1 and Ea = 22.2 kcal/mol for cGMP. Exchange of the 8-CH groups in guanine nucleotides is generally 2-3 times more rapid than in adenine nucleotides [cf. g. j. thomas, Jr., & J. Livramento (1975) Biochemistry 14, 5210-5218]. As in the case of adenine nucleotides, cyclic and 5' nucleotides of guanine exchange at markedly different rates at lower temperatures, with exchange in the cyclic nucleotide being the more facile. Each of the guanine nucleotides was prepared in four different isotopic modifications for Raman spectral analysis. The Raman frequency shifts resulting from the various isotopic substitutions have been tabulated, and assignments have been given for most of the observed vibrational frequencies.

Cyclic GMP↗
PubMed2001

Urine analysis by laser Raman spectroscopy.

BACKGROUND AND OBJECTIVE: We examine the use of Raman spectroscopy to analyze components in human urine. STUDY DESIGN/MATERIALS AND METHODS: Targeted urine components include urea, uric acid, and creatinine. RESULTS: Urea concentration in urine is sufficiently high that normal Raman spectroscopy may be used for its analysis. All other components are in low concentrations requiring the use of surface-enhanced Raman spectroscopic methods (SERS). CONCLUSIONS: Both normal Raman and SERS approaches have been investigated for total urine-nitrogen determination, urine urea-nitrogen determination, and for the urea/creatinine excretion ratio.

Creatinine↗
PubMed1980

Effects of chain packing and chain mobility on the Raman spectra of biomembranes.

The degree of lateral crystal-like order between hydrocarbon chains in biomembrane systems can be estimated from Raman measurements in the C-H stretching region. Observations of the temperature dependence of the Raman spectra of crystalline n-C16H34 and the urea clathrate of n-C16H34 have enabled us to separate to some extent the overlapping effects of chain packing and chain mobility, effects that are normally not distinguished in considering lateral order. The mobility is associated with the freedom of an extended chain to rotate and twist about its long axis. A high degree of such motion must be ascribed to n-C16H34 in a urea clathrate in order to explain the unusual temperature behavior observed for Raman bands at 2885 and 1174 cm-1. Comparison of the temperature behavior of the Raman spectra of the clathrate with that of crystalline n-C16H34 permits the effects due to packing and to mobility to be distinguished. The same effects can be expected to be present in the Raman spectra of biomembranes.

Alkanes↗
PubMed2005

Comparison of metal-amino acid interaction in Phe-Ag and Tyr-Ag complexes by spectroscopic measurements.

In this article, we have compared the metal-amino acid interactions in Tyr-Ag and Phe-Ag complexes through pH dependent SERS measurements. By analyzing the variation in relative intensities of SERS bands with the pH of the amino acid solution, we have obtained the orientation and conformation of the amino acid molecules on the Ag surface. The results obtained from our experimental studies are supported by the energy minimized structures and the observed charge distributions in different terminals of the molecules. This, in a way, shows that SERS measurements not only exhibit the interaction of the amino acid molecules with Ag clusters but also demonstrate their orientation around it. We have addressed a long standing query on whether the amine group is directly attached to the Ag surface along with the carboxylate group and pi-electrons in these systems. In addition, pH dependent optical absorption and transmission electron microscopy measurements have been performed to understand the required conditions for the appearance of the SERS spectra in the light of the aggregation of metal particles and the number of hot sites in the sol. Our results confirm that the formation of hot sites in the sol plays a direct role in forming a stable Ag-ligand complex. Furthermore, the interaction kinetics of metal-amino acid complexes have been analyzed via both Raman and absorption measurements.

Hydrogen-Ion Concentration↗
PubMed2006

Detecting the effect of very low amounts of penetrants in lipid bilayers using Raman spectroscopy.

We show that, by the influence on the gauche content in the acyl chains, the effect of very low concentrations (order 10(-2) %) of penetrants (here 2,4-dichlorophenol) in lipid bilayers (here dipalmitoyl-glycerophosphatidylcholine) can be experimentally seen in the Raman spectra. The observed effects suggest increased order and are in accordance with previous X-ray diffraction and calorimetric data. These findings show great promise for studying in situ the effect of low amounts of various small molecules on cell membranes using Raman spectroscopy.

1,2-Dipalmitoylphosphatidylcholine↗