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Spectra Similar (spectrum + similar)
Selected AbstractsMassBank: a public repository for sharing mass spectral data for life sciencesJOURNAL OF MASS SPECTROMETRY (INCORP BIOLOGICAL MASS SPECTROMETRY), Issue 7 2010Hisayuki Horai Abstract MassBank is the first public repository of mass spectra of small chemical compounds for life sciences (<3000 Da). The database contains 605 electron-ionization mass spectrometry(EI-MS), 137 fast atom bombardment MS and 9276 electrospray ionization (ESI)-MSn data of 2337 authentic compounds of metabolites, 11 545 EI-MS and 834 other-MS data of 10 286 volatile natural and synthetic compounds, and 3045 ESI-MS2 data of 679 synthetic drugs contributed by 16 research groups (January 2010). ESI-MS2 data were analyzed under nonstandardized, independent experimental conditions. MassBank is a distributed database. Each research group provides data from its own MassBank data servers distributed on the Internet. MassBank users can access either all of the MassBank data or a subset of the data by specifying one or more experimental conditions. In a spectral search to retrieve mass spectra similar to a query mass spectrum, the similarity score is calculated by a weighted cosine correlation in which weighting exponents on peak intensity and the mass-to-charge ratio are optimized to the ESI-MS2 data. MassBank also provides a merged spectrum for each compound prepared by merging the analyzed ESI-MS2 data on an identical compound under different collision-induced dissociation conditions. Data merging has significantly improved the precision of the identification of a chemical compound by 21,23% at a similarity score of 0.6. Thus, MassBank is useful for the identification of chemical compounds and the publication of experimental data. Copyright © 2010 John Wiley & Sons, Ltd. [source] Vesta, Vestoids, and the howardite, eucrite, diogenite group: Relationships and the origin of spectral differencesMETEORITICS & PLANETARY SCIENCE, Issue 6 2001T. H. Burbine All of the measured small asteroids (except for 2579 Spartacus) have reflectance spectra consistent with surface compositions similar to eucrites and howardites and consistent with all being derived from Vesta. None of the observed asteroids have spectra similar to diogenites. We find no spectral distinction between the 15 objects tabulated as members of the Vesta dynamical family and 6 of the 7 sampled "non-family" members that reside just outside the semi-major axis (a), eccentricity (e), and inclination (i) region of the family. The spectral consistency and close orbital (a-e-i) match of these "non-family" objects to Vesta and the Vesta family imply that the true bounds of the family extend beyond the subjective cut-off for membership. Asteroid 2579 Spartacus has a spectrum consistent with a mixture of eucritic material and olivine. Spartacus could contain olivine-rich material from Vesta's mantle or may be unrelated to Vesta altogether. Laboratory measurements of the spectra of eucrites show that samples having nearly identical compositions can display a wide range of spectral slopes. Finer particle sizes lead to an increase in the slope, which is usually referred to as reddening. This range of spectral variation for the best-known meteoritic analogs to the Vestoids, regardless of whether they are actually related to each other, suggests that the extremely red spectral slopes for some Vestoids can be explained by very fine-grained eucritic material on their surfaces. [source] Absence of glycochenodeoxycholic acid (GCDCA) in human bile is an indication of cholestasis: A 1H MRS studyNMR IN BIOMEDICINE, Issue 5 2009Omkar B. Ijare Abstract The utility of 1H MR spectroscopy in detecting chronic cholestasis has been investigated. The amide proton region of the 1H MR spectrum of human bile plays a major role in differentiating cholestatic (Ch) patterns from the normal ones. Bile obtained from normal bile ducts contains both taurine and glycine conjugates of bile acids , cholic acid (CA), chenodeoxycholic acid (CDCA), and deoxycholic acid (DCA). Absence of a glycine-conjugated bile acid glycochenodeoxycholic acid (GCDCA) has been observed in bile samples obtained from primary sclerosing cholangitis (PSC) patients. A total of 32 patients with various hepatobiliary diseases were included in the study. Twenty-one patients had PSC and 11 had normal cholangiograms. One PSC patient was excluded from the study because of a bad spectrum. Seventeen out of the 20 PSC patients showed an absence of GCDCA in their 1H MR spectrum of bile. Six of the 11 reference patients with normal cholangiogram also showed spectra similar to those of PSC, indicating the possibility of cholestasis. DQF-COSY and TOCSY experiments performed on bile samples from PSC patients also revealed absence of phosphatidylcholine (PC) in some of the bile samples, suggesting possible damage to the cholangiocytes by the toxic bile. These observations suggest that analysis of human bile by 1H MRS could be of value in the diagnosis of chronic Ch liver disorders. Copyright © 2008 John Wiley & Sons, Ltd. [source] Metabolism of the mesoionic compound (MI-D) by mouse liver microsome, detection of its metabolite In Vivo, and acute toxicity in miceJOURNAL OF BIOCHEMICAL AND MOLECULAR TOXICOLOGY, Issue 6 2009Silvia Romão Abstract The mesoionic derivative 4-phenyl-5-[4-nitrocinnamoyl]-1,3,4-thiadiazolyl-2-phenylamine chloride (MI-D) has antitumoral and anti-inflammatory effects. In this study, we present aspects of its metabolism and toxicity in mice. MI-D was metabolized in vitro by liver microsome, generating a main product with a much shorter retention time than MI-D in high-performance liquid chromatography (HPLC) analysis but with a spectrum similar to that of the original molecule. Mass spectrometry with electrospray ionization in positive mode analysis of the purified compound by HPLC indicated that the product of metabolism has four additional hydroxyl groups (m/z = 465) compared with MI-D (m/z = 401). The HPLC analyses of plasma and urine samples from mice treated with MI-D showed the presence of the metabolite product. The kinetic parameters Km (19.5 ± 4.5 ,M) and Vmax [1.5 ± 0.4 units of fluorescence/(100 ,g of microsomal protein/mL/s)] were estimated, confirming the metabolism of MI-D and indicating that the reaction follows Michaelis-Menten kinetics. Acute toxicity was established on the basis of an estimation of mean lethal dose (LD-50; 181.2 mg/kg) and histopathological analysis of animals that survived the LD-50 test. Abdominal adhesions, inflammatory foci, and formation of granulomas were observed. Altogether, the results contribute to the advancement of research in support of MI-D as a future chemotherapeutic drug. © 2009 Wiley Periodicals, Inc. J Biochem Mol Toxicol 23:394,405, 2009; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/jbt.20303 [source] QUARTZ-TUNGSTEN-HALOGEN AND LIGHT-EMITTING DIODE CURING LIGHTSJOURNAL OF ESTHETIC AND RESTORATIVE DENTISTRY, Issue 3 2006Kraig S. Vandewalle DDS Curing lights are an integral part of the daily practice of restorative dentistry. Quartz-tungsten-halogen (QTH), plasma-arc (PAC), argon laser, and light-emitting diode (LED) curing lights are currently commercially available. The QTH curing light has a long, established history as a workhorse for composite resin polymerization in dental practices and remains the most common type of light in use today. Its relatively broad emission spectrum allows the QTH curing light to predictably initiate polymerization of all known photo-activated resin-based dental materials. However, the principal output from these lamps is infrared energy, with the generation of high heat. Filters are used to reduce the emitted heat energy and provide further restriction of visible light to correlate better with the narrower absorbance spectrum of photo-initiators. The relatively inefficient emission typically requires corded handpieces with noisy fans. PAC lights generate a high voltage pulse that creates hot plasma between two electrodes in a xenon-filled bulb. The irradiance of PAC lights is much higher than the typical QTH curing light, but PAC lights are more expensive and generate very high heat with an inefficient emission spectrum similar to that of QTH bulbs. Light emitted from an argon laser is very different from that emitted from the halogen or PAC lights. The photons produced are coherent and do not diverge; therefore, lasers concentrate more photons of specific frequency into a tiny area. With very little infrared output, unwanted heat is minimized. However, argon lasers are very expensive and inefficient due to a small curing tip. LED curing lights have been introduced to the market with the promise of more efficient polymerization, consistent output over time without degradation, and less heat emission in a quiet, compact, portable device. This review evaluates some of the published research on LED and QTH curing lights. [source] Role of extended defects in brown colouration of diamondPHYSICA STATUS SOLIDI (C) - CURRENT TOPICS IN SOLID STATE PHYSICS, Issue 8 2007L. S. Hounsome Abstract The absorption spectrum of brown diamond is broad and featureless, in both natural type IIa and CVD-grown material. It is argued that such an absorption is due to an extended, rather than a point, defect. Ab-initio modelling studies have been conducted on dislocations and extended vacancy-related defects. While certain dislocations could potentially explain the origin of colour, their density is too low to account for experimentally observed absorption magnitudes. It is demonstrated that a vacancy disk lying in the {111} plane has an absorption spectrum similar to that seen in natural and CVD brown diamond. Such disks are unstable above about 200 vacancies and should relax to dislocation loops in natural diamond. Hydrogen is shown to passivate the optical activity of the disks. (© 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] | ||||||||||||||||