Spectrum analysis

In this work, the vibrational spectral analysis was carried out using Raman and infrared spectroscopy in the range 100-4000 cm(-1) and 50-4000 cm(-1), respectively, for the title molecules. The molecular structure, fundamental vibrational frequencies and intensity of the vibrational bands are interpreted with the aid of structure optimizations and normal coordinate force field calculations based on Hartee Fock (HF) and density functional theory (DFT) method and different basis sets combination. The complete vibrational assignments of wave numbers were made on the basis of potential energy distribution (PED). The scaled B3LYP/6-311++G(d,p) results show the best agreement with the experimental values over the other methods. The effects due to the substitutions of methyl group and halogen bond were investigated. The results of the calculations were applied to simulated spectra of the title compounds, which show excellent agreement with observed spectra.

There have been few previous studies of the kinetics of pigmentation following ultraviolet B (UVB) exposure, and these have included only fair-skinned persons. The current study investigated pigmentation increase to steady state and fading in 12 Scandinavians and 12 Indians/Pakistanis. Over a period of 3 weeks the subjects were UV-irradiated 6 times on the right side of the back and 12 times on the left side using a Solar Simulator and narrowband UVB with equal sub-Minimal Melanogenesis Doses (individually predetermined). Pigmentation was measured from skin remittance at 555 nm and 660 nm (allowing correction for erythema). The absolute pigmentation increase was independent of pre-exposure pigmentation, therefore the percentage pigmentation increase was higher in fair-skinned volunteers. The UV dose to minimal pigmentation was higher in darker-skinned persons for single and multiple UV exposures for both UV sources. Going from a single exposure to 6 and 12 exposures, the required do...

This study measured the radiant power (mW), irradiance (mW/cm2) and emission spectra (mW/cm2/nm) of 22 new, or almost new, light curing units (LCUs): - Alt Lux II, BioLux Standard, Bluephase G2, Curing Light XL 3000, Demetron LC, DX Turbo LED 1200, EC450, EC500, Emitter C, Emitter D, KON-LUX, LED 3M ESPE, Led Lux II, Optilight Color, Optilight Max, Optilux 501, Poly Wireless, Radii cal, Radii plus, TL-01, VALO Cordless. These LCUs were either monowave or multiple peak light emitting diode (LED) units or quartz-tungsten-halogen LCUs used in anterior and posterior teeth. The radiant power emitted by the LCUs was measured by a laboratory grade laser power meter. The tip area (cm²) of the LCUs was measured and used to calculate the irradiance from the measured radiant power source. The MARC-Patient Simulator (MARC-PS) with a laboratory grade spectrometer (USB4000, Ocean Optics) was used to measure the irradiance and emission spectrum from each LCU three times at the sensor located on th...

Hydrochlorous acid bleaches c-phycocyanin visible absorbance with a second-order rate constant (pH 7.4) of 1.3x10(3) M(-1) s(-1). In excess of protein, ca. 0.16 bilin moieties are disrupted by each reacted HOCl molecule. This indicates that the main reaction takes place at the apoprotein level, with a total rate constant (in monomeric units concentration) of 2.5x10(4) M(-1) s(-1). This rate constant is too low to provide protection to other biomolecules under physiological conditions. The reported antiinflammatory properties of phycocyanin are not then related to the removal of HOCl. On the other hand, the rather slow reaction rate with HOCI could be beneficial to its role as antiinflammatory agent since it will allow the protein to maintain its integrity at the inflammation locus.

On 9 October 2009, the Lunar Crater Observation and Sensing Satellite (LCROSS) sent a kinetic impactor to strike Cabeus crater, on a mission to search for water ice and other volatiles expected to be trapped in lunar polar soils. The Lyman Alpha Mapping Project (LAMP) ultraviolet spectrograph onboard the Lunar Reconnaissance Orbiter (LRO) observed the plume generated by the LCROSS impact as far-ultraviolet emissions from the fluorescence of sunlight by molecular hydrogen and carbon monoxide, plus resonantly scattered sunlight from atomic mercury, with contributions from calcium and magnesium. The observed light curve is well simulated by the expansion of a vapor cloud at a temperature of ~1000 kelvin, containing ~570 kilograms (kg) of carbon monoxide, ~140 kg of molecular hydrogen, ~160 kg of calcium, ~120 kg of mercury, and ~40 kg of magnesium.

We describe a polarization sensitive spectral domain optical coherence tomography technique based on a single camera spectrometer that includes a multiplexed custom grating, camera lenses, and a high-speed three-line CCD camera. Two orthogonally polarized beams could be separately taken by two lines of the camera as a result of vertically different incident angles. The system could provide the imaging capabilities of a full camera speed and increased measurable depth. The proposed optical coherence tomography system could make a distinction between the normal muscle and cancerous tissue from the chest of a DSred GFP mouse and the OCT images were compared with those of in vivo confocal microscopy.

Addition of calcium chloride to milk has positive effects on cheese-making because it decreases coagulation time, creates firmer gels, and increases curd yield. Although addition of calcium chloride is a widely used industrial practice, the effect of soluble calcium on the preliminary stages of gelation is not fully understood. In addition, it is not known whether the manner of addition and equilibration of the soluble calcium would affect the rennetability of the casein micelles. Therefore, the aim of this paper was to study the details of the coagulation behavior of casein micelles in the presence of additional calcium, and to elucidate whether the manner in which this cation is added (directly as calcium chloride or by gradual exchange through dialysis) affects the functionality of the micelles. Calcium was added as CaCl(2) (1 mM final added concentration) directly to skim milk or indirectly using dialysis against 50 volumes of milk. Additional soluble calcium did not affect the ...

SUMMARY Male glow-worms Lampyris noctiluca find their bioluminescent mates at night by phototaxis. There is good evidence that location of mates by lampyrid beetles is achieved by a single spectral class of photoreceptor,whose spectral sensitivity is tuned to the bioluminescent spectrum emitted by conspecifics, and is achromatic. We ask whether glow-worm phototaxis involves interactions between two spectral classes of photoreceptor. Binary choice experiments were conducted in which males were presented with artificial light stimuli that differ in spectral composition. The normal preference for a green stimulus (λmax=555 nm), corresponding to the bioluminescence wavelength produced by signalling females, was significantly reduced by adding a blue (λmax=485 nm) component to the signal. This implies an antagonistic interaction between long- and short-wavelength sensitive photoreceptors, suggesting colour vision based on chromatic opponency. Cryosections showed a band of yellow filter p...

The interactions of oxidative stress biomarkers: homocysteine (Hcys) and cysteine (Cys) with the multifunctional gold nanoparticles, important in view of novel biomedical applications in diagnostics and therapy, have been investigated using resonance elastic light scattering (RELS), UV-Vis plasmonic spectroscopy, and high-resolution TEM imaging. The Hcys-induced assembly of gold nanoparticles has been observed for non-ionic surfactant-capped gold nanoparticles as well as for negatively-charged citrate-capped gold nanoparticles. We have observed for the first time the de-aggregation of citrate-capped gold nanoparticle ensembles followed by their conversion to citrate-linked Hcys-capped nanoparticle assemblies. The Cys molecules, which are smaller than Hcys by only one CH(2) group, show much less activity. The mechanisms leading to this intriguing disparity in the abilities of these two thioaminoacids to ligand exchange with surfactant- or citrate-capping molecules of the gold nanoparticle shells are proposed on the basis of the experimental evidence, molecular dynamics simulations, and quantum mechanical calculations. For citrate-capped gold nanoparticles, we postulate the formation of surface complexes facilitated by electrostatic attractions and formation of double hydrogen bonds for both Hcys and Cys. The conformational differences between these two kinds of complexes result in marked differences in the distance between -SH groups of the biomarkers to the gold surface and different abilities to induce nanoparticle assembly. Analytical implications of these mechanistic differences are discussed.

Invasive species introduced via the ballast water of commercial ships cause enormous environmental and economic damage worldwide. Accurate monitoring for these often microscopic and morphologically indistinguishable species is challenging but critical for mitigating damages. We apply eDNA sampling, which involves the filtering and subsequent DNA extraction of microscopic bits of tissue suspended in water, to ballast and harbor water sampled during a commercial ship's 1400 km voyage through the North American Great Lakes. Using a lab-based gel electrophoresis assay and a rapid, field-ready light transmission spectroscopy (LTS) assay, we test for the presence of two invasive species: quagga (Dreissena bugensis) and zebra (D. polymorpha) mussels. Furthermore, we spiked a set of uninfested ballast and harbor samples with zebra mussel tissue to further test each assay's detection capabilities. In unmanipulated samples, zebra mussel was not detected, while quagga mussel was detect...

Hall effect measurements on undoped Al0. 25Ga0. 75N/GaN heterostructures grown by a metalorganic chemical vapour deposition (MOCVD) technique have been carried out as a function of temperature (20–350 K) and magnetic field (0–1.5 T). Magnetic field dependent Hall data were analysed using the quantitative mobility spectrum analysis (QMSA) technique. The mobility and density within the two-dimensional electron gas (2DEG) at the Al0. 25Ga0. 75N/GaN interface and within the underlying GaN layer were ...