Ultraviolet laser effects on the cornea

NASA Astrophysics Data System (ADS)

Zuclich, Joseph A.

1990-07-01

Ultraviolet radiation in the ambient environment or from artificial sources may pose both acute and chronic hazards to the skin and the ocular tissues. In general terrestrial conditions have evolved such that there are only narrow safety margins between ambient UV levels and exposure levels harmful to the human. Obvious examples of acute consequences ofUV overexposure are sunburn and snowblindness as well as analogous conditions induced by artificial sources such as the welder''s arc mercury vapor lamps and UV-emitting lasers. Further chronic UV exposure is strongly implicated as a causative agent in certain types of cataract and skin cancer. This presentation will summarize a number of specific cases where UV radiation affected the primate cornea. Data presented will include the action spectra for far- and near-UV induced ocular damage the pulsewidth and total energy dependencies of ocular thresholds studies of cumulative effects of repeated UV exposures and quantitative determinations of tissue repair or recovery rates. Depending on the exposure parameters utilized photochemical thermal or photoablative damage mechanisms may prevail. 1.

Light, Molecules, Action: Using Ultrafast Uv-Visible and X-Ray Spectroscopy to Probe Excited State Dynamics in Photoactive Molecules

NASA Astrophysics Data System (ADS)

Sension, R. J.

2017-06-01

Light provides a versatile energy source capable of precise manipulation of material systems on size scales ranging from molecular to macroscopic. Photochemistry provides the means for transforming light energy from photon to process via movement of charge, a change in shape, a change in size, or the cleavage of a bond. Photochemistry produces action. In the work to be presented here ultrafast UV-Visible pump-probe, and pump-repump-probe methods have been used to probe the excited state dynamics of stilbene-based molecular motors, cyclohexadiene-based switches, and polyene-based photoacids. Both ultrafast UV-Visible and X-ray absorption spectroscopies have been applied to the study of cobalamin (vitamin B_{12}) based compounds. Optical measurements provide precise characterization of spectroscopic signatures of the intermediate species on the S_{1} surface, while time-resolved XANES spectra at the Co K-edge probe the structural changes that accompany these transformations.

A Contribution Toward Understanding the Biospherical Significance of Antarctic Ozone Depletion

NASA Astrophysics Data System (ADS)

Lubin, Dan; Mitchell, B. Greg; Frederick, John E.; Alberts, Amy D.; Booth, C. R.; Lucas, Timothy; Neuschuler, David

1992-05-01

Measurements of biologically active UV radiation made by the National Science Foundation (NSF) scanning spectroradiometer (UV-monitor) at Palmer Station, Antarctica, during the Austral springs of 1988, 1989, and 1990 are presented and compared. Column ozone abundance above Palmer Station is computed from these measurements using a multiple wavelength algorithm. Two contrasting action spectra (biological weighting functions) are used to estimate the biologically relevant dose from the spectral measurements: a standard weighting function for damage to DNA, and a new action spectrum representing the potential for photosynthesis inhibition in Antarctic phytoplankton. The former weights only UV-B wavelengths (280-320 nm) and gives the most weight to wavelengths shorter than 300 nm, while the latter includes large contributions out to 355 nm. The latter is the result of recent Antarctic field work and is relevant in that phytoplankton constitute the base of the Antarctic food web. The modest ozone hole of 1988, in which the ozone abundance above Palmer Station never fell below 200 Dobson units (DU), brought about summerlike doses of DNA-effective UV radiation 2 months early, but UV doses which could inhibit photosynthesis in phytoplankton did not exceed a clear-sky "maximum normal" dose for that time of year. The severe ozone holes of 1989 and 1990, in which the ozone abundance regularly fell below 200 DU, brought about increases in UV surface irradiance weighted by either action spectrum. Ozone abundances and dose-weighted irradiances provided by the NSF UV-monitor are used to derive the radiation amplification factors (RAFs) for both DNA-effective irradiance and phytoplankton-effective irradiance. The RAF for DNA-effective irradiance is nonlinear in ozone abundance and is in excess of the popular "two for one" rule, while the RAF for phytoplankton-effective irradiance approximately follows a "one for one" rule.

Low-level luminescence as a method of detecting the UV influence on biological systems

NASA Astrophysics Data System (ADS)

Mei, Wei-Ping; Popp, Fritz A.

1995-02-01

It is well known that low-level luminescence is correlated to many physiological and biological parameters, e.g. cell cycle, temperature, oxidation- and UV-stress. We report some new approaches on low-level luminescence measurements and UV influence on different biological systems. One example concerns yeast cultures, which show an increasing intensity of luminescence after UV-treatment with a maximum after 1.5 h. Investigations on normal human fibroblasts and keratinocytes display different longtime kinetics: The former show no changes of the luminescence in time, the latter an increase that reaches the maximum after 9 h. The time-dependent spectral measurement on xeroderma pigmentosum after UV-treatment displays a time-shift of the action-spectra shifting the maximum from 400 nm to 420 nm in 12 h. Some results on neutrophils reveals spectral UV influence on respiratory burst and the cellular repair system. The results on human skin display spectral changes of low-level luminescence after UV-treatment. These results provide a useful tool of analyzing UV influence on human skin.

Generation of radicals in hard biological tissues under the action of laser radiation

NASA Astrophysics Data System (ADS)

Sviridov, Alexander P.; Bagratashvili, Victor N.; Sobol, Emil N.; Omelchenko, Alexander I.; Lunina, Elena V.; Zhitnev, Yurii N.; Markaryan, Galina L.; Lunin, Valerii V.

2002-07-01

The formation of radicals upon UV and IR laser irradiation of some biological tissues and their components was studied by the EPR technique. The radical decay kinetics in body tissue specimens after their irradiation with UV light were described by various models. By the spin trapping technique, it was shown that radicals were not produced during IR laser irradiation of cartilaginous tissue. A change in optical absorption spectra and the dynamics of optical density of cartilaginous tissue, fish scale, and a collagen film under exposure to laser radiation in an air, oxygen, and nitrogen atmosphere was studied.

Renormalization-group flow of the effective action of cosmological large-scale structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Floerchinger, Stefan; Garny, Mathias; Tetradis, Nikolaos

Following an approach of Matarrese and Pietroni, we derive the functional renormalization group (RG) flow of the effective action of cosmological large-scale structures. Perturbative solutions of this RG flow equation are shown to be consistent with standard cosmological perturbation theory. Non-perturbative approximate solutions can be obtained by truncating the a priori infinite set of possible effective actions to a finite subspace. Using for the truncated effective action a form dictated by dissipative fluid dynamics, we derive RG flow equations for the scale dependence of the effective viscosity and sound velocity of non-interacting dark matter, and we solve them numerically. Physically,more » the effective viscosity and sound velocity account for the interactions of long-wavelength fluctuations with the spectrum of smaller-scale perturbations. We find that the RG flow exhibits an attractor behaviour in the IR that significantly reduces the dependence of the effective viscosity and sound velocity on the input values at the UV scale. This allows for a self-contained computation of matter and velocity power spectra for which the sensitivity to UV modes is under control.« less

Accuracy of Td-DFT in the Ultraviolet and Circular Dichroism Spectra of Deoxyguanosine and Uridine.

PubMed

Miyahara, Tomoo; Nakatsuji, Hiroshi

2018-01-11

Accuracy of the time-dependent density functional theory (Td-DFT) was examined for the ultraviolet (UV) and circular dichroism (CD) spectra of deoxyguanosine (dG) and uridine, using 11 different DFT functionals and two different basis sets. The Td-DFT results of the UV and CD spectra were strongly dependent on the functionals used. The basis-set dependence was observed only for the CD spectral calculations. For the UV spectra, the B3LYP and PBE0 functionals gave relatively good results. For the CD spectra, the B3LYP and PBE0 with 6-311G(d,p) basis gave relatively permissible result only for dG. The results of other functionals were difficult to be used for the studies of the UV and CD spectra, though the symmetry adapted cluster-configuration interaction (SAC-CI) method reproduced well the experimental spectra of these molecules. To obtain valuable information from the theoretical calculations of the UV and CD spectra, the theoretical tool must be able to reproduce correctly both of the intensities and peak positions of the UV and CD spectra. Then, we can analyze the reasons of the changes of the intensity and/or the peak position to clarify the chemistry involved. It is difficult to recommend Td-DFT as such tools of science, at least from the examinations using dG and uridine.

The Martian and extraterrestrial UV radiation environment--1. Biological and closed-loop ecosystem considerations.

PubMed

Cockell, C S; Andrady, A L

1999-01-01

The Martian surface is exposed to both UVC radiation (<280 nm) and higher doses of UVB (280-315 nm) compared to the surface of the Earth. Terrestrial organisms have not evolved to cope with such high levels of UVC and UVB and thus any attempts to introduce organisms to Mars, particularly in closed-loop life support systems that use ambient sunlight, must address this problem. Here we examine the UV radiation environment of Mars with respect to biological systems. Action spectra and UV surface fluxes are used to estimate the UV stress that both DNA and chloroplasts would experience. From this vantage point it is possible to consider appropriate measures to address the problem of the Martian UV environment for future long term human exploration and settlement strategies. Some prospects for improving the UV tolerance of organisms are also discussed. Existing artificial ecosystems such as Biosphere 2 can provide some insights into design strategies pertinent to high UV environments. Some prospects for improving the UV tolerance of organisms are also discussed. The data also have implications for the establishment of closed-loop ecosystems using natural sunlight on the lunar surface and elsewhere in the Solar System.

UV action spectroscopy of protonated PAH derivatives. Methyl substituted quinolines

NASA Astrophysics Data System (ADS)

Klærke, B.; Holm, A. I. S.; Andersen, L. H.

2011-08-01

Aims: We investigate the production of molecular photofragments upon UV excitation of PAH derivatives, relevant for the interstellar medium. Methods: The action absorption spectra of protonated gas-phase methyl-substituted quinolines (CH3 - C9H7NH+) have been recorded in the 215-338 nm spectral range using the electrostatic storage ring ELISA, an electrospray ion source and 3 ns UV laser pulses. Results: It is shown that the absorption profile is both redshifted and broadened when moving the methyl group from the heterocycle containing nitrogen to the homoatomic ring. The absorption profiles are explained by TD-DFT calculations. The dissociation time of the studied molecules is found to be of several milliseconds at 230 nm and it is shown that after redistribution of the absorbed energy the molecules dissociate in several channels. The dissociation time found is an order of magnitude faster than the estimated IR relaxation time. Photophysical properties of both nitrogen containing and methyl-substituted PAHs are interesting in an astrophysical context in connection with identifying the aromatic component of the interstellar medium.

Problems in abundance determination from UV spectra of hot supergiants

NASA Astrophysics Data System (ADS)

Deković, M. Sarta; Kotnik-Karuza, D.; Jurkić, T.; Dominis Prester, D.

2010-03-01

We present measurements of equivalent widths of the UV, presumably photospheric lines: C III 1247 Å, N III 1748 Å, N III 1752 Å, N IV 1718 Å and He II 1640 Å in high-resolution IUE spectra of 24 galactic OB supergiants. Equivalent widths measured from the observed spectra have been compared with their counterparts in the Tlusty NLTE synthetic spectra. We discuss possibilities of static plan-parallel model to reproduce observed UV spectra of hot massive stars and possible reasons why observations differ from the model so much.

Binding of anti-prion agents to glycosaminoglycans: Evidence from electronic absorption and circular dichroism spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zsila, Ferenc; Gedeon, Gabor

2006-08-11

The polyanionic glycosaminoglycans (GAGs) are intimately involved in the pathogenesis of protein conformational disorders such as amyloidosis and prion diseases. Several cationic agents are known to exhibit anti-prion activity but their mechanism of action is poorly understood. In this study, UV absorption and circular dichroism (CD) spectroscopic techniques were used to investigate the interaction between heparin and chondroitin-6-sulfate and anti-prion drugs including acridine, quinoline, and phenothiazine derivatives. UV band hypochromism of ({+-})-quinacrine, ({+-})-primaquine, tacrine, quinidine, chlorpromazine, and induced CD spectra of ({+-})-quinacrine upon addition of GAGs provided evidence for the GAG binding of these compounds. The association constants ({approx}10{sup 6}-10{supmore » 7} M{sup -1}) estimated from the UV titration curves show high-affinity drug-heparin interactions. Ionic strength-dependence of the absorption spectra suggested that the interaction between GAGs and the cationic drugs is principally electrostatic in nature. Drug binding differences of heparin and chondroitin-6-sulfate were attributed to their different negative charge density. These results call the attention to the alteration of GAG-prion/GAG-amyloid interactions by which these compounds might exert their anti-prion/anti-amyloidogenic activities.« less

Conformational Specific Infrared and Ultraviolet Spectroscopy of Cold YA(D-Pro)AA\\cdotH+ Ions: a Sterochemical "twist" on the Proline Effect

NASA Astrophysics Data System (ADS)

Harrilal, Christopher P.; DeBlase, Andrew F.; Burke, Nicole L.; McLuckey, Scott A.; Zwier, Timothy S.

2016-06-01

The "proline effect" is a well-known fragmentation phenomenon in mass spectrometry, in which y-fragments are produced preferentially over b-fragments during the collision induced dissociation of protonated L-proline containing peptide ions. This specific fragmentation channel is favored because of the high basicity of the secondary amine intermediate and the ring instability in alternative bn+ products [ASMS 2014, 25, 1705]. In contrast, peptides containing the D-Pro stereoisomer have been shown to largely favor the production of b4+ ions over y3+ ions. This strongly suggests that differences in the conformational preferences between the D-Pro and L-Pro diastereomers are likely to be responsible but structural evidence has been lacking to date. Using tandem mass spectrometry and IR-UV double resonant action spectroscopy we are able to compare the 3D structures of cold [YA(D-Pro)AA+H]+ to [YA(L-Pro)AA+H]+ ions. The UV action spectra reveals two major conformers in [YA(D-Pro)AA+H]+ and one major conformer in [YA(L-Pro)AA+H]+. Clear differences in the hydrogen bonding patterns are apparent between the two conformers observed in the D-Pro specie which are both distinct from the L-Pro diastereomer. Furthermore, conformer and diastereomer specific photofragmentation patterns are observed. It is also noted that a ten-fold photofragment enhancement unique to one of the D-Pro conformers is observed upon absorption of a resonant IR photon after UV excitation. Differences in the excited state photophysics between the two D-Pro conformers suggest that vibrational excitation of S1 turns on coupling to the dissociative -Tyr channel in one conformer, while this coupling is already present in the vibronic ground state of the other. Calculated harmonic spectra (M052X/6-31+G*) of conformers obtained from Monte Carlo searches to the experimental spectra.

UV irradiation-induced Raman spectra changes in lead silicate glasses

NASA Astrophysics Data System (ADS)

Jia, Hongzhi; Chen, Guanghui; Wang, Wencheng

2006-12-01

The Raman spectra for a series of lead silicate glasses with different PbO content before and after irradiation with different energy density by the frequency-quadrupled output of a Q-switched YAG laser (266 nm, 10 Hz repetition rate) were measured. The intensity of Pb-O band near 140 cm -1 in the Raman spectra decreases after UV irradiation and no new band appears in the Raman spectra. Exposed to the UV beam with high energy density (150 mJ/cm 2), although the total dose is smaller than the dose with low energy density (50 mJ/cm 2), the intensity of the 140 cm -1 band drops heavilier than exposed to the UV beam with low energy density. This shows that the UV irradiation can cause the broken of Pb-O bond in lead silicate glasses and the broken of Pb-O bond is related to the energy density of UV beam.

Multi-photon excited coherent random laser emission in ZnO powders

NASA Astrophysics Data System (ADS)

Tolentino Dominguez, Christian; Gomes, Maria De A.; Macedo, Zélia S.; de Araújo, Cid B.; Gomes, Anderson S. L.

2014-11-01

We report the observation and analysis of anti-Stokes coherent random laser (RL) emission from zinc oxide (ZnO) powders excited by one-, two- or three-photon femtosecond laser radiation. The ZnO powders were produced via a novel proteic sol-gel, low-cost and environmentally friendly route using coconut water in the polymerization step of the metal precursor. One- and two-photon excitation at 354 nm and 710 nm, respectively, generated single-band emissions centred at about 387 nm. For three-photon excitation, the emission spectra showed a strong ultraviolet (UV) band (380-396 nm) attributed to direct three-photon absorption from the valence band to the conduction band. The presence of an intensity threshold and a bandwidth narrowing of the UV band from about 20 to 4 nm are clear evidence of RL action. The observation of multiple sub-nanometre narrow peaks in the emission spectra for excitation above the RL threshold is consistent with random lasing by coherent feedback.

Spectrally resolved infrared microscopy and chemometric tools to reveal the interaction between blue light (470nm) and methicillin-resistant Staphylococcus aureus.

PubMed

Bumah, Violet V; Aboualizadeh, Ebrahim; Masson-Meyers, Daniela S; Eells, Janis T; Enwemeka, Chukuka S; Hirschmugl, Carol J

2017-02-01

Blue light inactivates methicillin-resistant Staphylococcus aureus (MRSA), a Gram-positive antibiotic resistant bacterium that leads to fatal infections; however, the mechanism of bacterial death remains unclear. In this paper, to uncover the mechanism underlying the bactericidal effect of blue light, a combination of Fourier transform infrared (FTIR) spectroscopy and chemometric tools is employed to detect the photoreactivity of MRSA and its distinctive pathway toward apoptosis after treatment. The mechanism of action of UV light and vancomycin against MRSA is also investigated to support the findings. Principal component analysis followed by linear discriminant analysis (PCA- LDA) is employed to reveal clustering of five groups of MRSA samples, namely untreated (control I), untreated and incubated at ambient air (control II), irradiated with 470nm blue light, irradiated with 253.5 UV light, and vancomycin-treated MRSA. Loadings plot from PCA-LDA analysis reveals important functional groups in proteins (1683, 1656, 1596, 1542cm -1 ), lipids (1743, 1409cm -1 ), and nucleic acids region of the spectrum (1060, 1087cm -1 ) that are responsible for the classification of blue light irradiated spectra and control spectra. Cluster vector plots and scores plot reveals that UV light-irradiated spectra are the most biochemically similar to blue light- irradiated spectra; however, some wavenumbers experience a shift. The shifts between blue light and UV light irradiated loadings plot at ν asym PO 2- band (from 1228 to 1238cm -1 ), DNA backbone (from 970 to 966cm -1 ) and base pairing vibration of DNA (from 1717 to 1712cm -1 ) suggest distinctive changes in DNA conformation in response to irradiation. Our findings indicate that irradiation of MRSA with 470nm light induces A-DNA cleavage and that B-DNA is more resistant to damage by blue light. Blue light and UV light treatment of MRSA are complementary and distinct from the known antimicrobial effect of vancomycin. Moreover, it is known that UV-induced cleavage of DNA predominantly targets B-DNA, which is in agreement with the FTIR findings. Overall the results suggest that the combination of light and vancomycin could be a more robust approach in treating MRSA infections. Published by Elsevier B.V.

A conformational study of protonated noradrenaline by UV-UV and IR dip double resonance laser spectroscopy combined with an electrospray and a cold ion trap method.

PubMed

Wako, Hiromichi; Ishiuchi, Shun-Ichi; Kato, Daichi; Féraud, Géraldine; Dedonder-Lardeux, Claude; Jouvet, Christophe; Fujii, Masaaki

2017-05-03

The conformer-selected ultraviolet (UV) and infrared (IR) spectra of protonated noradrenaline were measured using an electrospray/cryogenic ion trap technique combined with photo-dissociation spectroscopy. By comparing the UV photo dissociation (UVPD) spectra with the UV-UV hole burning (HB) spectra, it was found that five conformers coexist under ultra-cold conditions. Based on the spectral features of the IR dip spectra of each conformer, two different conformations on the amine side chain were identified. Three conformers (group I) were assigned to folded and others (group II) to extended structures by comparing the observed IR spectra with the calculated ones. Observation of the significantly less-stable extended conformers strongly suggests that the extended structures are dominant in solution and are detected in the gas phase by kinetic trapping. The conformers in each group are assignable to rotamers of OH orientations in the catechol ring. By comparing the UV-UV HB spectra and the calculated Franck-Condon spectra obtained by harmonic vibrational analysis of the S 1 state, with the aid of relative stabilization energies of each conformer in the S 0 state, the absolute orientations of catechol OHs of the observed five conformers were successfully determined. It was found that the 0-0 transition of one folded conformer is red-shifted by about 1000 cm -1 from the others. The significant red-shift was explained by a large contribution of the πσ* state to S 1 in the conformer in which an oxygen atom of the meta-OH group is close to the ammonium group.

Long-term variability and impact on human health of biologically active UV radiation in Moscow

NASA Astrophysics Data System (ADS)

Zhdanova, Ekaterina; Chubarova, Natalia

2014-05-01

Measurements of erythemally weighted UV irradiance (Qer) have been performed at the Meteorological Observatory of Moscow State University since 1999 with the UVB-1 YES pyranometers. These types of devices are broadband with a spectral sensitivity curve close to the action spectrum of erythema. Main uncertainties of UVB-1 YES measurements include the difference in spectral curves of the instrument and the action spectrum of erythema, as well as the deviation from the cosine law. These uncertainties were taken into account in the database of Qer measurements (Chubarova, 2008. Additional corrections of UVB-1 measurements at low ambient temperatures have been made. We analyze interannual, seasonal and diurnal Qer changes over the time period 1999-2012. In addition, the comparisons with the results of UV reconstruction model (Chubarova, 2008) are made. This model allows us to evaluate relative changes in Qer due to variations in total ozone, effective cloud amount transmission, aerosol and cloud optical thickness since 1968. It is important to note that the main reason for UV irradiance monitoring development is the strong influence of UV irradiance on the biosphere and especially on human health mainly on human skin (CIE, 1993, CIE, 2006) and eyes (Oriowo, M. et al., 2001). Based on the detailed studies we have shown the possibility of utilizing UVB-1 pyranometers for measuring the eye-damage UV radiation. Parallel measurements by the Bentham DTM-300 spectrometer and the UVB-1 YES pyranometer at the Innsbruck Medical University (Austria) have provided us the calibration factor in eye-damage units for this broadband instrument. Influence of main geophysical factors on different types of UV irradiance is estimated by means the RAF ideology (Booth, Madronich, 1994). We discuss the responses of different types of biologically active UV radiation to the impact of various atmospheric factors. The UV conditions (deficiency, optimum, excess for human) are analyzed according to the developed classification for Moscow. Booth, C.R. and S. Madronich, 1994: Radiation amplification factors: improved formulation accounts for large increases in ultraviolet radiation associated with Antarctic ozone depletion. In: Ultraviolet Radiation in Antarctica: Measurements and Biological Research [Weiler, C.S. and P.A. Penhale (eds.)]. AGU Antarctic Research Series, 62, Washington, DC, USA, 39-42. Chubarova N.Y., 2008: UV variability in Moscow according to long-term UV measurements and reconstruction model. Atmos.Chem.Phys., 8, 3025-3031 Oriowo, M. et al., 2001:, Action spectrum for in vitro UV-induced cataract using whole lenses. Invest.Ophthalmol.&Vis.Sci, 42, 2596-2602. CIE, 1993: Reference Action Spectra for Ultraviolet Induced Erythema and Pigmentation of Different Human skin Types. CIE Research Note, CIE Technical Collection., N.3 CIE, 2006: Action spectrum for the production of previtamin D3 in human skin, Technical report 174, International commission on illumination

Space-based estimation of the solar UV-B doses for psoriasis heliotherapy in Poland using OMI data for the period 2005-2011.

PubMed

Krzyścin, J W; Jarosławski, J; Rajewska-Więch, B; Sobolewski, P S; Narbutt, J; Lesiak, A; Pawlaczyk, M; Janouch, M

2012-12-05

A UV model is proposed to reconstruct the biologically weighted doses at the ground-level, erythemal, vitamin D(3), and antipsoriatic effective doses, based on the space data from the Ozone Monitoring Instrument on board of NASA EOS Aura spacecraft for the period 2005-2011. The model is training using the results of spectral UV measurements carried out at Belsk, Poland. The model outcome is verified using the UV spectra measured at Hradec Kralove, Czech Republic. The model uncertainty is almost the same for all examined action spectra and comparable to that found in earlier studies on differences between the satellite overpasses and ground-based erythemal data. Antipsoriatic doses, taken during 2h exposure periods near local noon, are reconstructed for selected sites in Poland to find if heliotherapy would be an alternative to standard treatment of psoriasis by tube irradiation in medical cabinets. Mountain-resort in the southern Poland, Zakopane, and rural-site in Central Poland, Belsk, are among the best location of potential heliotherapy centers in Poland for late spring/summer season. Łeba, resort on the Baltic Sea coast, is a potential heliotherapy center in June and July. The methodology to disclose possible heliotherapy periods over the territory of Poland could be extended to any region. It would help to prepare an optimal schedule of antipsoriatic heliotherapy that accounts for local weather conditions and medical standards of using UV cabinets. Copyright © 2012 Elsevier B.V. All rights reserved.

Distribution of Facial Exposure to Non-melanoma Biologically Effective UV Irradiance Changes by Rotation Angles.

PubMed

Wang, Fang; Yu, Jia Ming; Yang, De Qi; Gao, Qian; Hua, Hui; Liu, Yang

2017-02-01

To show the distribution of facial exposure to non-melanoma biologically effective UV irradiance changes by rotation angles. This study selected the cheek, nose, and forehead as representative facial sites for UV irradiance measurements, which were performed using a rotating manikin and a spectroradiometer. The measured UV irradiance was weighted using action spectra to calculate the biologically effective UV irradiances that cause non-melanoma (UVBEnon-mel) skin cancer. The biologically effective UV radiant exposure (HBEnon-mel) was calculated by summing the UVBEnon-mel data collected over the exposure period. This study revealed the following: (1) the maximum cheek, nose and forehead exposure UVA and UVB irradiance times and solar elevation angles (SEA) differed from those of the ambient UV irradiance and were influenced by the rotation angles; (2) the UV irradiance exposure increased in the following order: cheek < nose < forehead; (3) the distribution of UVBEnon-mel irradiance differed from that of unweighted UV radiation (UVR) and was influenced by the rotation angles and exposure times; and (4) the maximum percentage decreases in the UVBEnon-mel radiant exposure for the cheek, nose and forehead from 0°to 180°were 48.41%, 69.48% and 71.71%, respectively. Rotation angles relative to the sun influence the face's exposure to non-melanoma biologically effective UV. Copyright © 2017 The Editorial Board of Biomedical and Environmental Sciences. Published by China CDC. All rights reserved.

Effective UV radiation from model calculations and measurements

NASA Technical Reports Server (NTRS)

Feister, Uwe; Grewe, Rolf

1994-01-01

Model calculations have been made to simulate the effect of atmospheric ozone and geographical as well as meteorological parameters on solar UV radiation reaching the ground. Total ozone values as measured by Dobson spectrophotometer and Brewer spectrometer as well as turbidity were used as input to the model calculation. The performance of the model was tested by spectroradiometric measurements of solar global UV radiation at Potsdam. There are small differences that can be explained by the uncertainty of the measurements, by the uncertainty of input data to the model and by the uncertainty of the radiative transfer algorithms of the model itself. Some effects of solar radiation to the biosphere and to air chemistry are discussed. Model calculations and spectroradiometric measurements can be used to study variations of the effective radiation in space in space time. The comparability of action spectra and their uncertainties are also addressed.

Structure-spectrophotometric selectivity relationship in interactions of quercetin related flavonoids with double stranded and single stranded RNA

NASA Astrophysics Data System (ADS)

Piantanida, Ivo; Mašić, Lozika; Rusak, Gordana

2009-04-01

Interactions of five flavonoids with dsRNA and single stranded ssRNA were studied by UV/vis titrations. The results obtained supported the intercalative binding mode as a dominant interaction of studied flavonoids with dsRNA as well as major interaction with ssRNA. Furthermore, changes of the UV/vis spectra of flavonoids induced by addition of poly G or poly C, respectively, are significantly stronger than changes induced by double stranded poly G-poly C, pointing to essential role of the free poly G or poly C sequence (not hydrogen bonded in double helix). Exclusively poly G caused significant batochromic shift of the UV/vis maxima of all studied flavonoids, whereby the intensity of batochromic shift is nicely correlated to the number of OH groups of flavonoid. Unlikely to poly G, addition of poly A and poly U induced measurable changes only in the UV/vis spectra of flavonoids characterised by no OH (galangin) or three OH groups (myricetin) on the phenyl part of the molecule. Consequently, flavonoids with one- or two-OH groups on the phenyl part of the molecule (luteolin, fisetin, kaempferol) specifically differentiate between poly A, poly U (negligible changes in the UV/Vis spectra) and poly G (strong changes in the UV/Vis spectra) as well as poly C (moderate changes in the UV/Vis spectra).

Fate of Earth Microbes on Mars: UV Radiation Effects

NASA Technical Reports Server (NTRS)

Cockell, Charles

2000-01-01

A radiative transfer model is used to quantitatively investigate aspects of the martian ultraviolet radiation environment. Biological action spectra for DNA inactivation are used to estimate biologically effective irradiances for the martian surface under cloudless skies. Although the present-day martian UV flux is similar to early earth and thus may not be a limitation to life in the evolutionary context, it is a constraint to an unadapted biota and will rapidly kill spacecraft-borne microbes not covered by a martian dust layer. Here calculations for loss of microbial viability on the Pathfinder and Polar lander spacecraft are presented and the effects of martian dust on loss of viability are discussed. Details of the radiative transfer model are presented.

Fate of Earth Microbes on Mars -- UV Radiation Effects

NASA Technical Reports Server (NTRS)

Cockell, Charles

2000-01-01

A radiative transfer model is used to quantitatively investigate aspects of the martian ultraviolet radiation environment. Biological action spectra for DNA inactivation are used to estimate biologically effective irradiances for the martian surface under cloudless skies. Although the present-day martian UV flux is similar to early earth and thus may not be a limitation to life in the evolutionary context, it is a constraint to an unadapted biota and will rapidly kill spacecraft-borne microbes not covered by a martian dust layer. Here calculations for loss of microbial viability on the Pathfinder and Polar lander spacecraft are presented and the effects of martian dust on loss of viability are discussed. Details of the radiative transfer model are presented.

Ultraviolet-B phototoxicity and hypothetical photomelanomagenesis: intraocular and crystalline lens photoprotection.

PubMed

Mainster, Martin A; Turner, Patricia L

2010-04-01

Ultraviolet-B (UV-B) radiation can cause phototoxic macular injuries in young people who have been sunbathing but not sungazing and in welders. Welders have a reportedly increased risk of uveal melanoma. We analyze phakic and pseudophakic risks for solar and welding arc UV-B exposure. Optical radiation measurement, analysis, and perspective. Spectral transmittances were measured for UV-transmitting, UV-blocking, and blue-blocking intraocular lenses (IOLs). The photoprotective performances of crystalline and intraocular lenses were analyzed using relevant epidemiologic and laboratory data and action spectra for acute retinal phototoxicity and melanoma photocarcinogenesis. Crystalline lens UV-B retinal protection is deficient in children and young adults, increasing their potential susceptibility to acute retinal phototoxicity and hypothetical photomelanomagenesis. UV-B radiation has sufficient energy/photon to induce primary melanomagenic DNA lesions, unlike blue light or UV-A radiation. UV-blocking and blue-blocking IOLs have negligible UV-B transmittance. UV-transmitting IOL transmittance of UV-B radiation is equivalent to that of a 15-year-old crystalline lens. If optical radiation exposure is responsible for welders' increased risk of uveal melanoma, then UV-B radiation is the most probable causative agent and spectacle wear is a potential confounding factor in epidemiologic studies of ocular melanoma. Welders under 30 years of age are at greater risk for welding maculopathy than older welders. Children, adults under 30 years of age, and pseudophakic individuals with UV-transmitting IOLs should wear sunglasses in bright environments because of the UV-B window in their crystalline lenses or IOLs. Copyright 2010 Elsevier Inc. All rights reserved.

[The UV-Vis spectra and substituent effect of organoimido derivatives of polyoxometalates].

PubMed

Li, Qiang; Wei, Yong-ge; Wang, Yuan; Guo, Hong-you

2005-06-01

In the presence of a carbodiimine, i.e. DCC, a series of organoimido derivatives of polyoxometalates have been synthesized via the reaction of [alpha-Mo8O26]4- with aromatic amines and its hydrochloride salt. Elemental analysis, IR, 1H-NMR and UV-Vis spectra were used to characterize those hybrids, in particular their UV-Vis spectra have been studied. The results show that typical metal-ligand charge transfer (MLCT) transitions occur in the organic-inorganic hybrid molecules. There is a good linear relationship between the shift of UV-Vis absorptions (delta lamda max) and conjugation effect of the p-substituted group (sigmaR).

The ultraviolet-bright stars of Omega Centauri, M3, and M13

NASA Technical Reports Server (NTRS)

Landsman, Wayne B.; O'Connell, Robert W.; Whitney, Jonathan H.; Bohlin, Ralph C.; Hill, Robert S.; Maran, Stephen P.; Parise, Ronald A.; Roberts, Morton S.; Smith, Andrew A.; Stecher, Theodore P.

1992-01-01

Two new UV-bright stars detected within 2 arcmin of the center of Omega Cen are spectroscopically investigated with the short-wavelength spectrograph of the IUE. The IUE spectra of the UV-bright stars UIT-1 and UIT-2 in the core of Omega Cen superficially resemble those of Population I mid-B stars. The absorption lines of the core UV-bright stars are significantly weaker than in Population I stars, consistent with their membership in the cluster. Synthetic spectra calculated from low-metallicity Kurucz model stellar atmospheres are compared with the spectra. These objects are insufficiently luminous to be classical hydrogen-burning post-AGB stars. They may be evolved hot horizontal branch stars which have been brightened by more than 3 mag since leaving the zero-age horizontal branch. It is inferred from the spectra and luminosity of the core UV-bright stars that similar objects could provide the source of the UV light in elliptical galaxies.

Use of an improved radiation amplification factor to estimate the effect of total ozone changes on action spectrum weighted irradiances and an instrument response function

NASA Astrophysics Data System (ADS)

Herman, Jay R.

2010-12-01

Multiple scattering radiative transfer results are used to calculate action spectrum weighted irradiances and fractional irradiance changes in terms of a power law in ozone Ω, U(Ω/200)-RAF, where the new radiation amplification factor (RAF) is just a function of solar zenith angle. Including Rayleigh scattering caused small differences in the estimated 30 year changes in action spectrum-weighted irradiances compared to estimates that neglect multiple scattering. The radiative transfer results are applied to several action spectra and to an instrument response function corresponding to the Solar Light 501 meter. The effect of changing ozone on two plant damage action spectra are shown for plants with high sensitivity to UVB (280-315 nm) and those with lower sensitivity, showing that the probability for plant damage for the latter has increased since 1979, especially at middle to high latitudes in the Southern Hemisphere. Similarly, there has been an increase in rates of erythemal skin damage and pre-vitamin D3 production corresponding to measured ozone decreases. An example conversion function is derived to obtain erythemal irradiances and the UV index from measurements with the Solar Light 501 instrument response function. An analytic expressions is given to convert changes in erythemal irradiances to changes in CIE vitamin-D action spectrum weighted irradiances.

Use of an Improved Radiation Amplification Factor to Estimate the Effect of Total Ozone Changes on Action Spectrum Weighted Irradiances and an Instrument Response Function

NASA Technical Reports Server (NTRS)

Herman, Jay R.

2010-01-01

Multiple scattering radiative transfer results are used to calculate action spectrum weighted irradiances and fractional irradiance changes in terms of a power law in ozone OMEGA, U(OMEGA/200)(sup -RAF), where the new radiation amplification factor (RAF) is just a function of solar zenith angle. Including Rayleigh scattering caused small differences in the estimated 30 year changes in action spectrum-weighted irradiances compared to estimates that neglect multiple scattering. The radiative transfer results are applied to several action spectra and to an instrument response function corresponding to the Solar Light 501 meter. The effect of changing ozone on two plant damage action spectra are shown for plants with high sensitivity to UVB (280-315 run) and those with lower sensitivity, showing that the probability for plant damage for the latter has increased since 1979, especially at middle to high latitudes in the Southern Hemisphere. Similarly, there has been an increase in rates of erythemal skin damage and pre-vitamin D3 production corresponding to measured ozone decreases. An example conversion function is derived to obtain erythemal irradiances and the UV index from measurements with the Solar Light 501 instrument response function. An analytic expressions is given to convert changes in erythemal irradiances to changes in CIE vitamin-D action spectrum weighted irradiances.

The 90-day report for SL4 experiment S019: UV stellar astronomy

NASA Technical Reports Server (NTRS)

1974-01-01

The use of Experiment S019 to obtain moderate dispersion stellar spectra extending down to 1300A with sufficient spectral resolution to permit the study of ultraviolet (UV) line spectra and of spectral energy distributions of early-type stars is studied. Data obtained from this experiment should be of sufficient accuracy to permit detailed physical analysis of individual stars and nebulae, but an even more basic consideration is the expectation of obtaining spectra of a sufficient number of stars so that a statistically meaningful survey may be made of the UV spectra of a wide variety of star types. These should include all luminosity classes of spectral types O, B and A, as well as peculiar stars such as Wolf-Rayet stars and Ap or Am stars. An attempt was also made to obtain, in the no-prism mode, low dispersion UV spectra in a number of Milky Way star fields and in nearby galaxies.

Far Ultraviolet Spectroscopy of Saturn's Icy Moon Rhea

NASA Astrophysics Data System (ADS)

Elowitz, Mark; Hendrix, Amanda; Mason, Nigel J.; Sivaraman, Bhalamurugan

2018-01-01

We present an analysis of spatially resolved, far-UV reflectance spectra of Saturn’s icy satellite Rhea, collected by the Cassini Ultraviolet Imaging Spectrograph (UVIS). In recent years ultraviolet spectroscopy has become an important tool for analysing the icy satellites of the outer solar system (1Hendrix & Hansen, 2008). Far-UV spectroscopy provides unique information about the molecular structure and electronic transitions of chemical species. Many molecules that are suspected to be present in the icy surfaces of moons in the outer solar system have broad absorption features due to electronic transitions that occur in the far-UV portion of the spectrum. The studies show that Rhea, like the other icy satellites of the Saturnian system are dominated by water-ice as evident by the 165-nm absorption edge, with minor UV absorbing contaminants. Far-UV spectra of several Saturnian icy satellites, including Rhea and Dione, show an unexplained weak absorption feature centered near 184 nm. To carry out the geochemical survey of Rhea’s surface, the UVIS observations are compared with vacuum-UV spectra of thin-ice samples measured in laboratory experiments. Thin film laboratory spectra of water-ice and other molecular compounds in the solid phase were collected at near-vacuum conditions and temperatures identical to those at the surface of Rhea. Comparison between the observed far-UV spectra of Rhea’s surface ice and modelled spectra based on laboratory absorption measurements of different non-water-ice compounds show that two possible chemical compounds could explain the 184-nm absorption feature. The two molecular compounds include simple chlorine molecules and hydrazine monohydrate. Attempts to explain the source(s) of these compounds on Rhea and the scientific implications of their possible discovery will be summarized.[1] Hendrix, A. R. & Hansen, C. J. (2008). Icarus, 193, pp. 323-333.

FE Line Diagnostics of Multiply Shocked Stellar Atmospheres: The Mira S. Carinae

NASA Technical Reports Server (NTRS)

Bookbinder, Jay

1997-01-01

Extensive LWP-HI spectra were obtained of the Mira S Car at a rapid time cadence as compared with the shock cycle time of S Car. These spectra were obtained in an attempt to understand the velocity structures in the shocked wind using the fluoresced iron lines. Data analysis of the IUE observations, which included the primary calibration of all of the IUE spectra obtained of S Car, was carried out. In addition, line identifications, flux calculations, background subtractions, and line profile analysis as a function of S Car's pulsational phase were performed. The database incorporated all line identifications as a function of pulsation phase for all IUE LWP-HI observations to date of S Car. At least 45 separate iron line features are identified in the S Car spectrum at one or more phases of the shock cycle, including those due to Fe II (UV 161) which is pumped by three different iron lines; Fe I(UV 44) which is pumped by the Mg II k line. Other strong multiplets that have been identified include UV(1), UV(2), UV(5), UV(32), UV(60), UV(63), UV(161), UV(207), and UV(399). Over 300 weaker lines have also been tentatively identified with Fe line transitions.

Vitamin D synthesis measured with a multiband filter radiometer in Río Gallegos, Argentina

NASA Astrophysics Data System (ADS)

Orte, Facundo; Wolfram, Elian; Salvador, Jacobo; D'Elia, Raúl; Bulnes, Daniela; Leme, N. Paes; Quel, Eduardo

2013-05-01

Vitamin D plays an important role in human health. Vitamin D production from the sun is affected by UVB solar radiation. This paper presents a simple method for retrieving vitamin D-weighted UV by using a multiband filter radiometer GUV-541 installed at the Atmospheric Observatory of Southern Patagonia (OAPA) (51 ° 33' S, 69° 19' W), Río Gallegos. The methodology used combines irradiance measurements from a multiband filter radiometer with spectral irradiance modeled by the SOS radiative transfer code (developed by Lille University of Science and Technology (USTL)). The spectrum modeled is weighted with vitamin D action spectra published by the International Commission on Illumination (CIE), which describes the relative effectiveness of different wavelengths in the generation of this particular biological response. This method is validated using the vitamin D-weighted UV derived from a Brewer MKIII spectrophotometer (SN 124) belonging to the National Institute for Spatial Research (INPE), Brazil, which is able to measure solar spectra between 290 and 325nm. The method presents a good correlation between the two independent instruments. This procedure increases the instrumental capabilities of the multiband filter radiometer. Moreover, it evaluates the annual variation of vitamin D-weighted UV doses from exposure to ultraviolet radiation. These values are likely to be lower than suitable levels of vitamin D during winter and part of spring and autumn at these latitudes.

Health impacts of ultraviolet radiation in urban ecosystems: a review

NASA Astrophysics Data System (ADS)

Heisler, Gordon M.

2005-08-01

This paper explores the literature on ultraviolet irradiance (UV) in urban ecosystems with respect to the likely effects on human health. The focus was the question of whether the health effects of UV radiation should be included in planning of landscape elements such as trees and shading structures. In examining the literature, special attention was given to seeking information on the question of whether it is important that shade be provided for elementary school play areas, and if so, how should it be accomplished? Before such practical questions could be dealt with, it became obvious that answers to several pertinent secondary questions had to be sought. Foremost of these was, what are the negative and positive health effects of UV exposure? Recent epidemiological findings of apparent benefits of sunlight because of vitamin-D photosynthesis and resulting anti-cancer effects make this highly relevant. Another basic question is that of trends in ozone depletion, which leads to interesting questions of long-term trends, short-term extremes, and urban influences on UV irradiance. A host of these and other pertinent questions, such as, "What is the relationship between climate of a location and dress," i.e., "How much exposure will people receive during time spent outdoors?" require much more study. Judging from current knowledge of typical spectra of solar radiation in tree shade and the difference between the action spectra for vitamin D synthesis and erythema in human skin, exposure to solar radiation in tree shade for a short period of time can be somewhat more beneficial for vitamin D synthesis and regulation than detrimental in producing sunburn.

A Simple Spreadsheet Program to Simulate and Analyze the Far-UV Circular Dichroism Spectra of Proteins

ERIC Educational Resources Information Center

Abriata, Luciano A.

2011-01-01

A simple algorithm was implemented in a spreadsheet program to simulate the circular dichroism spectra of proteins from their secondary structure content and to fit [alpha]-helix, [beta]-sheet, and random coil contents from experimental far-UV circular dichroism spectra. The physical basis of the method is briefly reviewed within the context of…

Comparing Ultraviolet Spectra Against Calculations: First Results

NASA Technical Reports Server (NTRS)

Peterson, Ruth C.

2003-01-01

The five-year goal of this effort is to calculate high fidelity mid-UV spectra for individual stars and stellar systems for a wide range of ages, abundances, and abundance ratios. In this first year, the emphasis was placed on revising the list of atomic line parameters used to calculate mid-UV spectra. First, new identifications of atomic lines and measurements of their transition probabilities were obtained for lines of the first and second ionization stages of iron-peak elements. Second, observed mid-UV and optical spectra for standard stars were re-analyzed and compared to new calculations, to refine the determination of transition probabilities and to estimate the identity of lines still missing from the laboratory lists. As evidenced by the figures, a dramatic improvement has resulted in the reproduction of the spectra of standard stars by the calculations.

SO2 in the middle atmosphere of Venus: IR measurements from Venera 15 and comparison to UV

NASA Technical Reports Server (NTRS)

Zasova, L. V.; Moroz, V. I.; Esposito, L. W.; Na, C. Y.

1992-01-01

Two sets of measurements of SO2 bands in the Venus spectra are presented and compared: IR spectra obtained on the USSR Venera 15 orbiter and UV spectra from the American Pioneer Venus orbiter and sounding rockets. The 40-mbar level was chosen as a reference level for comparison. The UV data are referred to this level. There are three SO2 bands in the infrared spectrum: at 519, 1150, and 1360 cm(exp -1). The levels of their formation in the atmosphere may differ significantly, by more than 10 km.

Photoinduced Effects in the ZnO Luminescence Spectra

NASA Astrophysics Data System (ADS)

Akopyan, I. Kh.; Labzovskaya, M. E.; Novikov, B. V.; Lisachenko, A. A.; Serov, A. Yu.; Filosofov, N. G.

2018-02-01

The effect of intense UV irradiation on the photoluminescence (PL) spectra of ZnO powders and nanocrystalline films obtained by atomic layer deposition (ALD) was investigated. At room temperature, the behavior of the spectra under continuous UV irradiation in multiple vacuum-atmosphere cycles was studied. The changes in the intensities of exciton radiation and radiation in the "green" band region, associated with the phenomena of oxygen photodesorption and photoadsorption, are discussed. In the temperature range of 5-300 K, the effect of strong UV irradiation on the near-edge luminescence spectrum of ZnO films was studied. The nature of a new line arising in the photoluminescence spectra of an irradiated film in the region of emission of bound excitons is discussed.

FIRST ULTRAVIOLET REFLECTANCE SPECTRA OF PLUTO AND CHARON BY THE HUBBLE SPACE TELESCOPE COSMIC ORIGINS SPECTROGRAPH: DETECTION OF ABSORPTION FEATURES AND EVIDENCE FOR TEMPORAL CHANGE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stern, S. A.; Spencer, J. R.; Shinn, A.

We have observed the mid-UV spectra of both Pluto and its large satellite, Charon, at two rotational epochs using the Hubble Space Telescope (HST) Cosmic Origins Spectrograph (COS) in 2010. These are the first HST/COS measurements of Pluto and Charon. Here we describe the observations and our reduction of them, and present the albedo spectra, average mid-UV albedos, and albedo slopes we derive from these data. These data reveal evidence for a strong absorption feature in the mid-UV spectrum of Pluto; evidence for temporal change in Pluto's spectrum since the 1990s is reported, and indirect evidence for a near-UV spectralmore » absorption on Charon is also reported.« less

Observations of normal main-sequence and giant B stars

NASA Astrophysics Data System (ADS)

When interpreting the continuous and line spectra of B stars, it is helpful to think in terms of a model consisting of a photosphere and a mantle which is the outer part of the atmosphere where the effects of nonradiative heating are seen. A survey of the spectra of these stars shows that conditions in the photosphere determine most of what is seen, and in the case of most B stars, the presence of the mantle can be detected only by a special effort. The shape of the visible continuum spectrum and the shape and absolute value of the UV continuous spectrum as determined from low resolution spectra are discussed. Effective temperature for B stars in the main sequence, including corrections for interstellar extinction and bolometric corrections are explored. The major constituents of B-type spectra, variation of the strength of line along the main sequence band, the UV spectra, UV line blocking, intrinsic colors, and variations in light and spectra are also examined.

Predicting the Shifts of Absorption Maxima of Azulene Derivatives Using Molecular Modeling and ZINDO CI Calculations of UV-Vis Spectra

ERIC Educational Resources Information Center

Patalinghug, Wyona C.; Chang, Maharlika; Solis, Joanne

2007-01-01

The deep blue color of azulene is drastically changed by the addition of substituents such as CH[subscript 3], F, or CHO. Computational semiempirical methods using ZINDO CI are used to model azulene and azulene derivatives and to calculate their UV-vis spectra. The calculated spectra are used to show the trends in absorption band shifts upon…

Influence of the UV Environment on the Synthesis of Prebiotic Molecules.

PubMed

Ranjan, Sukrit; Sasselov, Dimitar D

2016-01-01

Ultraviolet radiation is common to most planetary environments and could play a key role in the chemistry of molecules relevant to abiogenesis (prebiotic chemistry). In this work, we explore the impact of UV light on prebiotic chemistry that might occur in liquid water on the surface of a planet with an atmosphere. We consider effects including atmospheric absorption, attenuation by water, and stellar variability to constrain the UV input as a function of wavelength. We conclude that the UV environment would be characterized by broadband input, and wavelengths below 204 nm and 168 nm would be shielded out by atmospheric CO2 and water, respectively. We compare this broadband prebiotic UV input to the narrowband UV sources (e.g., mercury lamps) often used in laboratory studies of prebiotic chemistry and explore the implications for the conclusions drawn from these experiments. We consider as case studies the ribonucleotide synthesis pathway of Powner et al. (2009) and the sugar synthesis pathway of Ritson and Sutherland (2012). Irradiation by narrowband UV light from a mercury lamp formed an integral component of these studies; we quantitatively explore the impact of more realistic UV input on the conclusions that can be drawn from these experiments. Finally, we explore the constraints solar UV input places on the buildup of prebiotically important feedstock gasses like CH4 and HCN. Our results demonstrate the importance of characterizing the wavelength dependence (action spectra) of prebiotic synthesis pathways to determine how pathways derived under laboratory irradiation conditions will function under planetary prebiotic conditions.

The application of BTEM to UV-vis and UV-vis CD spectroscopies: the reaction of Rh4(CO)12 with chiral and achiral ligands.

PubMed

Cheng, Shuying; Gao, Feng; Krummel, Karl I; Garland, Marc

2008-02-15

Two different organometallic ligand substitution reactions were investigated: (1) an achiral reactive system consisting of Rh(4)(CO)(12)+PPh(3)right harpoon over left harpoonRh(4)(CO)(11)PPh(3)+CO in n-hexane under argon; and (2) a chiral reactive system consisting of Rh(4)(CO)(12)+(S)-BINAPright harpoon over left harpoonRh(4)(CO)(10)BINAP+2CO in cyclohexane under argon. These two reactions were run at ultra high dilution. In both multi-component reactive systems the concentrations of all the solutes were less than 40ppm and many solute concentrations were just 1-10ppm. In situ spectroscopic measurements were carried out using UV-vis (Ultraviolet-visible) spectroscopy and UV-vis CD spectroscopy on the reactive organometallic systems (1) and (2), respectively. The BTEM algorithm was applied to these spectroscopic data sets. The reconstructed UV-vis pure component spectra of Rh(4)(CO)(12), Rh(4)(CO)(11)PPh(3) and Rh(4)(CO)(10)BINAP as well as the reconstructed UV-vis CD pure component spectra of Rh(4)(CO)(10)BINAP were successfully obtained from BTEM analyses. All these reconstructed pure component spectra are in good agreement with the experimental reference spectra. The concentration profiles of the present species were obtained by performing a least square fit with mass balance constraints for the reactions (1) and (2). The present results indicate that UV-vis and UV-vis-CD spectroscopies can be successfully combined with an appropriate chemometric technique in order to monitor reactive organometallic systems having UV and Vis chromophores.

Importance of Vibronic Effects in the UV-Vis Spectrum of the 7,7,8,8-Tetracyanoquinodimethane Anion.

PubMed

Tapavicza, Enrico; Furche, Filipp; Sundholm, Dage

2016-10-11

We present a computational method for simulating vibronic absorption spectra in the ultraviolet-visible (UV-vis) range and apply it to the 7,7,8,8-tetracyanoquinodimethane anion (TCNQ - ), which has been used as a ligand in black absorbers. Gaussian broadening of vertical electronic excitation energies of TCNQ - from linear-response time-dependent density functional theory produces only one band, which is qualitatively incorrect. Thus, the harmonic vibrational modes of the two lowest doublet states were computed, and the vibronic UV-vis spectrum was simulated using the displaced harmonic oscillator approximation, the frequency-shifted harmonic oscillator approximation, and the full Duschinsky formalism. An efficient real-time generating function method was implemented to avoid the exponential complexity of conventional Franck-Condon approaches to vibronic spectra. The obtained UV-vis spectra for TCNQ - agree well with experiment; the Duschinsky rotation is found to have only a minor effect on the spectrum. Born-Oppenheimer molecular dynamics simulations combined with calculations of the electronic excitation energies for a large number of molecular structures were also used for simulating the UV-vis spectrum. The Born-Oppenheimer molecular dynamics simulations yield a broadening of the energetically lowest peak in the absorption spectrum, but additional vibrational bands present in the experimental and simulated quantum harmonic oscillator spectra are not observed in the molecular dynamics simulations. Our results underline the importance of vibronic effects for the UV-vis spectrum of TCNQ - , and they establish an efficient method for obtaining vibronic spectra using a combination of linear-response time-dependent density functional theory and a real-time generating function approach.

Requirements of blue, UV-A, and UV-B light for normal growth of higher plants, as assessed by action spectra for growth and related phenomena

NASA Technical Reports Server (NTRS)

Hashimoto, T.

1994-01-01

Artificial lighting is very important for experimental purposes, as well as for the practical use of plants when not enough sunlight is available. To grow green higher plants in their normal forms under artificial lighting constructing efficient and economically reasonable lighting systems is not an easy task. One possible approach would be to simulate sunlight in intensity and the radiation spectrum, but its high construction and running costs are not likely to allow its use in practice. Sunlight may be excessive in irradiance in some or all portions of the spectrum. Reducing irradiance and removing unnecessary wavebands might lead to an economically feasible light source. However, removing or reducing a particular waveband from sunlight for testing is not easy. Another approach might be to find the wavebands required for respective aspects of plant growth and to combine them in a proper ratio and intensity. The latter approach seems more practical and economical, and the aim of this Workshop lies in advancing this approach. I summarize our present knowledge on the waveband requirements of higher plants for the regions of blue, UV-A and UV-B.

Requirements of blue, UV-A, and UV-B light for normal growth of higher plants, as assessed by actions spectra for growth and related phenomena

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hashimoto, T.

1994-12-31

It is very important for experimental purposes, as well as for the practical use of plants when not enough sunlight is available. To grow green higher plants in their normal forms under artificial lighting constructing efficient and economically reasonable lighting systems is not an easy task. One possible approach would be to simulate sunlight in intensity and the radiation spectrum, but its high construction and running costs are not likely to allow its use in practice. Sunlight may be excessive in irradiance in some or all portions of the spectrum. Reducing irradiance and removing unnecessary wavebands might lead to anmore » economically feasible light source. However, removing or reducing a particular waveband from sunlight for testing is not easy. Another approach might be to find the wavebands required for respective aspects of plant growth and to combine them in a proper ratio and intensity. The latter approach seems more practical and economical, and the aim of this Workshop lies in advancing this approach. I summarize our present knowledge on the waveband requirements of higher plants for the regions of blue, UV-A and UV-B.« less

Influence of CuO content on the structure of lithium fluoroborate glasses: Spectral and gamma irradiation studies.

PubMed

Abdelghany, A M; ElBatal, H A; EzzElDin, F M

2015-10-05

Glasses of lithium fluoroborate of the composition LiF 15%-B2O3 85% with increasing CuO as added dopant were prepared and characterized by combined optical and FTIR spectroscopy before and after gamma irradiation. The optical spectrum of the undoped glass reveals strong UV absorption with two distinct peaks at about 235 and 310 nm and with no visible bands. This strong UV absorption is related to the presence of unavoidable trace iron impurity (Fe(3+)) within the materials used for the preparation of this glass. After irradiation, the spectrum of the undoped glass shows a decrease of the intensity of the UV bands together with the resolution of an induced visible broad band centered at about 520 nm. The CuO doped glasses reveal the same UV absorption beside a very broad visible band centered at 780 nm and this band shows extension and splitting to several component peaks with higher CuO contents. Upon gamma irradiation, the spectra of all CuO-doped glasses reveal pronounced decrease of their intensities. The response of irradiation on the studied glasses is correlated with suggested photochemical reactions together with some shielding effect of the copper ions. The observed visible band is related to the presence of copper as distorted octahedral Cu(2+) ions. Infrared absorption spectra of the prepared glasses show repetitive characteristic triangular and tetrahedral borate units similar to that published from alkali or alkaline earth oxides B2O3 glasses. A suggested formation of (BO3/2F) tetrahedral units is advanced through action of LiF on B2O3 and these suggested units showing the same position and number as BO4 tetrahedra. Copyright © 2015 Elsevier B.V. All rights reserved.

The Relationship between Ultraviolet Line Emission and Magnetic Field Strength in Magnetic Cataclysmic Variables

NASA Astrophysics Data System (ADS)

Howell, Steve B.; Cash, Jennifer; Mason, Keith O.; Herzog, Adrienne E.

1999-02-01

We present the first UV spectral observations of six magnetic cataclysmic variables discovered by the ROSAT Wide Field Camera (WFC). Using the^ International Ultraviolet Explorer (IUE), 1200-3400 Å spectra were obtained of the AM Herculis stars RE 0531-46, RE 1149+28, RE 1844-74, QS Tel (RE 1938-46), and HU Aqr (RE 2107-05) and the DQ Herculis star PQ Gem (RE 0751+14). The high-state UV spectra are dominated by strong emission lines. Continuum flux distributions for these stars (from 100 to 5500 Å) reveal that over this entire range, none of the spectral energy distributions can be fitted by a single-valued blackbody. Our new UV observations and additional archival IUE spectra were used to discover a correlation between the strength of the high-state UV emission lines and the strength of the white dwarf magnetic field. Model spectral results are used to confirm the production of the UV emission lines by photoionization from X-ray and EUV photons.

Application of in operando UV/Vis spectroscopy in lithium-sulfur batteries.

PubMed

Patel, Manu U M; Dominko, Robert

2014-08-01

Application of UV/Vis spectroscopy for the qualitative and quantitative determination of differences in the mechanism of lithium-sulfur battery behavior is presented. With the help of catholytes prepared from chemically synthesized stoichiometric mixtures of lithium and sulfur, calibration curves for two different types of electrolyte can be constructed. First-order derivatives of UV/Vis spectra show five typical derivative peak positions in both electrolytes. In operando measurements show a smooth change in the UV/Vis spectra in the wavelength region between λ=650 and 400 nm. Derivatives are in agreement with derivative peak positions observed with catholytes. Recalculation of normalized reflections of UV/Vis spectra obtained in operando mode enable the formation of polysulfides and their concentrations to be followed. In such a way, it is possible to distinguish differences in the mechanism of polysulfide shuttling between two electrolytes and to correlate differences in capacity fading. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Elaboration, structural and optical investigations of ZnO/epoxy nanocomposites

NASA Astrophysics Data System (ADS)

Moussa, S.; Namouchi, F.; Guermazi, H.

2015-07-01

Hybrid nanocomposites were elaborated by incorporating ZnO nanoparticles into a transparent epoxy polymer matrix, using the direct dispersion method. The effect of the nanoparticles on the structural and optical properties of the polymer matrix was investigated using Fourier transform infrared (FTIR), Raman and UV-Visible spectroscopies. Nanocomposites FTIR spectra showed a variation of band intensities attributed to nanoparticles agglomeration within the polymer. The UV-Visible measurements showed a redshift on the band gap energy of the nanocomposites differently from neat epoxy resin, caused by interactions between ZnO NPs and polymer chains. Raman spectra confirm these interactions and the formation of hydrogen bonds in the nanocomposites. The UV-Visible transmittance spectra revealed that addition of a very low concentration (0.2wt%) of ZnO nanoparticles to a transparent epoxy matrix would maintain high visible-light transparency. The decrease of transmittance with increasing ZnO percentage is due to light scattering which originates from the agglomeration of nanoparticles in the matrix, the mismatch between the refractive index of ZnO and that of the epoxy matrix, and the increase of the surface roughness of the nanocomposite with increasing ZnO addition. Moreover, the UV-vis absorption spectra revealed that adding more than 1wt% ZnO leads to the improvement of the UV shielding properties of the nanocomposites. These results prove that the elaborated ZnO/epoxy nanocomposites can be used as UV shielding materials.

An atlas of ultraviolet spectra of star-forming galaxies

NASA Technical Reports Server (NTRS)

Kinney, A. L.; Bohlin, R. C.; Calzetti, D.; Panagia, N.; Wyse, Rosemary F. G.

1993-01-01

A systematic study is presented of the UV spectra of star-forming galaxies of different morphological type and activity class using a sample drawn from a uniformly reduced IUE data set. The spectra for a wide variety of galaxies, including normal spiral, LINER, starburst, blue compact, blue compact dwarf, and Seyfert 2 galaxies, are presented in the form of spectral energy distributions to demonstrate the overall characteristics according to morphology and activity class and in the form of absolute flux distributions to better show the absorption and emission features of individual objects. The data support the picture based on UV spectra of the Orbiting Astronomical Observatory and of the Astronautical Netherlands Satellite that spiral galaxies of later Hubble class have more flux at the shortest UV wavelengths than do spiral galaxies of earlier Hubble class.

Experimental and time-dependent density functional theory characterization of the UV-visible spectra of monomeric and μ-oxo dimeric ferriprotoporphyrin IX.

PubMed

Kuter, David; Venter, Gerhard A; Naidoo, Kevin J; Egan, Timothy J

2012-10-01

Speciation of ferriprotoporphyrin IX, Fe(III)PPIX, in aqueous solution is complex. Despite the use of its characteristic spectroscopic features for identification, the theoretical basis of the unique UV-visible absorbance spectrum of μ-[Fe(III)PPIX](2)O has not been explored. To investigate this and to establish a structural and spectroscopic model for Fe(III)PPIX species, density functional theory (DFT) calculations were undertaken for H(2)O-Fe(III)PPIX and μ-[Fe(III)PPIX](2)O. The models agreed with related Fe(III)porphyrin crystal structures and reproduced vibrational spectra well. The UV-visible absorbance spectra of H(2)O-Fe(III)PPIX and μ-[Fe(III)PPIX](2)O were calculated using time-dependent DFT and reproduced major features of the experimental spectra of both. Transitions contributing to calculated excitations have been identified. The features of the electronic spectrum calculated for μ-[Fe(III)PPIX](2)O were attributed to delocalization of electron density between the two porphyrin rings of the dimer, the weaker ligand field of the axial ligand, and antiferromagnetic coupling of the Fe(III) centers. Room temperature magnetic circular dichroism (MCD) spectra have been recorded and are shown to be useful in distinguishing between these two Fe(III)PPIX species. Bands underlying major spectroscopic features were identified through simultaneous deconvolution of UV-visible and MCD spectra. Computed UV-visible spectra were compared to deconvoluted spectra. Interpretation of the prominent bands of H(2)O-Fe(III)PPIX largely conforms to previous literature. Owing to the weak paramagnetism of μ-[Fe(III)PPIX](2)O at room temperature and the larger number of underlying excitations, interpretation of its experimental UV-visible spectrum was necessarily tentative. Nonetheless, comparison with the calculated spectra of antiferromagnetically coupled and paramagnetic forms of the μ-oxo dimer of Fe(III)porphine suggested that the composition of the Soret band involves a mixture of π→π* and π→d(π) charge transfer transitions. The Q-band and charge transfer bands appear to amalgamate into a mixed low energy envelope consisting of excitations with heavily admixed π→π* and charge transfer transitions.

Revived STIS. II. Properties of Stars in the Next Generation Spectral Library

NASA Technical Reports Server (NTRS)

Heap, Sara R.; Lindler, D.

2010-01-01

Spectroscopic surveys of galaxies at high redshift will bring the rest-frame ultraviolet into view of large, ground-based telescopes. The UV-blue spectral region is rich in diagnostics, but these diagnostics have not yet been calibrated in terms of the properties of the responsible stellar population(s). Such calibrations are now possible with Hubble's Next Generation Spectral Library (NGSL). The NGSL contains UV-optical spectra (0.2 - 1.0 microns) of 374 stars having a wide range in temperature, luminosity, and metallicity. We will describe our work to derive basic stellar parameters from NGSL spectra using modern model spectra and to use these stellar parameters to develop UV-blue spectral diagnostics.

Application of Time-Dependent Density Functional and Natural Bond Orbital Theories to the UV-vis Absorption Spectra of Some Phenolic Compounds.

PubMed

Marković, Svetlana; Tošović, Jelena

2015-09-03

The UV-vis properties of 22 natural phenolic compounds, comprising anthraquinones, neoflavonoids, and flavonoids were systematically examined. The time-dependent density functional theory (TDDFT) approach in combination with the B3LYP, B3LYP-D2, B3P86, and M06-2X functionals was used to simulate the UV-vis spectra of the investigated compounds. It was shown that all methods exhibit very good (B3LYP slightly better) performance in reproducing the examined UV-vis spectra. However, the shapes of the Kohn-Sham molecular orbitals (MOs) involved in electronic transitions were misleading in constructing the MO correlation diagrams. To provide better understanding of redistribution of electron density upon excitation, the natural bond orbital (NBO) analysis was applied. Bearing in mind the spatial and energetic separations, as well as the character of the π bonding, lone pair, and π* antibonding natural localized molecular orbitals (NLMOs), the "NLMO clusters" were constructed. NLMO cluster should be understood as a part of a molecule characterized with distinguished electron density. It was shown that all absorption bands including all electronic transitions need to be inspected to fully understand the UV-vis spectrum of a certain compound, and, thus, to learn more about its UV-vis light absorption. Our investigation showed that the TDDFT and NBO theories are complementary, as the results from the two approaches can be combined to interpret the UV-vis spectra. Agreement between the predictions of the TDDFT approach and those based on the NLMO clusters is excellent in the case of major electronic transitions and long wavelengths. It should be emphasized that the approach for investigation of UV-vis light absorption based on the NLMO clusters is applied for the first time.

Constraining the Accretion Mode in LINER 1.9s

NASA Astrophysics Data System (ADS)

Sabra, Bassem; Der Sahaguian, Elias; Badr, Elie

2016-01-01

The accretion mode and the dominant power source in low-ionization nuclear emission-line regions (LINERs), a class of active galactic nuclei (AGN), are still elusive. We focus on a sample of 22 LINER 1.9s (Ho et al. 1997), a subclass of LINERs that show broad Halpha lines, a signature of blackhole-powered accretion, to test the hypothesis that the ionizing continuum emitted by a radiatively inefficient accretion flow (RIAF) could lead to the LINER ultraviolet (UV) emission-line ratios. Optical line-ratio diagrams are a weak diagnostic tool in distinguishing between possible power sources (Sabra et al. 2003). We search the Mikulski Archive for Space Telescopes (MAST) for UV spectra of the objects in the above sample and also perform photoionization simulations using CLOUDY (Ferland et al. 2013). Unfortunately, only one object (NGC 1052; Gabel et al. 2000) of the 22 LINER 1.9s has UV spectra that cover many emission lines; the rest of the objects either do not have any UV spectra, the spectral coverage is in-adequate, or the spectra have very low signal-to-noise ratios. Our photoionization simulations set up two identical grids of clouds with a range of densities and ionization parameters. We illuminate one grid with radiation emitted by a thin accretion disk (AD) and we illuminate the other grid with radiation from a RIAF. We overplot the UV emission-line ratio predictions for AD and RIAF illumination, together with the available line ratios for NGC 1052. Initial results show that UV lines could be used as diagnostics for the accretion mode in AGN. More UV spectral coverage of LINER 1.9s is needed in order to more fully utilize the diagnostic powers of UV emission line ratios.

H-aggregate analysis of P3HT thin films-Capability and limitation of photoluminescence and UV/Vis spectroscopy.

PubMed

Ehrenreich, Philipp; Birkhold, Susanne T; Zimmermann, Eugen; Hu, Hao; Kim, Kwang-Dae; Weickert, Jonas; Pfadler, Thomas; Schmidt-Mende, Lukas

2016-09-01

Polymer morphology and aggregation play an essential role for efficient charge carrier transport and charge separation in polymer-based electronic devices. It is a common method to apply the H-aggregate model to UV/Vis or photoluminescence spectra in order to analyze polymer aggregation. In this work we present strategies to obtain reliable and conclusive information on polymer aggregation and morphology based on the application of an H-aggregate analysis on UV/Vis and photoluminescence spectra. We demonstrate, with P3HT as model system, that thickness dependent reflection behavior can lead to misinterpretation of UV/Vis spectra within the H-aggregate model. Values for the exciton bandwidth can deviate by a factor of two for polymer thicknesses below 150 nm. In contrast, photoluminescence spectra are found to be a reliable basis for characterization of polymer aggregation due to their weaker dependence on the wavelength dependent refractive index of the polymer. We demonstrate this by studying the influence of surface characteristics on polymer aggregation for spin-coated thin-films that are commonly used in organic and hybrid solar cells.

Photodetachment and UV-Vis spectral properties of Cl2rad -·nHO clusters: Extrapolation to bulk

NASA Astrophysics Data System (ADS)

Pathak, A. K.; Mukherjee, T.; Maity, D. K.

2008-03-01

Vertical detachment energy (VDE) and UV-Vis spectra of Cl2rad -·nHO clusters ( n = 1-11) are reported based on first principle electronic structure calculations. VDE of the hydrated clusters are calculated following second order Moller-Plesset perturbation (MP2) as well as coupled cluster theory with 6-311++G(d,p) set of basis function. The excess electron in these hydrated clusters is mainly localized over the solute Cl atoms. A linear relationship is obtained for VDE vs. ( n + 2.6) -1/3 and bulk VDE of Cl2rad - aqueous solution is calculated as 10.61 eV at CCSD(T) level of theory. UV-Vis spectra of these hydrated clusters are calculated applying CI with single electron (CIS) excitation procedure. Simulated UV-Vis spectra of Cl2rad -·10HO cluster is noted to be in excellent agreement with the reported spectra of Cl2rad - (aq) system, λmax for Cl2rad -·11HO system is calculated to be red shifted though.

UV-spektra från Hubble-teleskopet avslöjar en stjärna i Vargen som lagrar tunga isotoper av mycket tunga grundämnen.

NASA Astrophysics Data System (ADS)

Johansson, S. E.; Leckrone, D. S.; Wahlgren, G. M.

1994-09-01

UV spectra from the Hubble Space Telescope reveal a star that stores heavy isotopes of very heavy elements. Atomic and plasma physics arguments for UV spectroscopy from space borne observatories are given. As an example, the authors discuss the analysis of high resolution spectra of the chemically peculiar star χ Lupi, obtained with the Hubble Space Telescope, in terms of identification of spectral lines of very heavy elements.

Chemometric classification of Chinese lager beers according to manufacturer based on data fusion of fluorescence, UV and visible spectroscopies.

PubMed

Tan, Jin; Li, Rong; Jiang, Zi-Tao

2015-10-01

We report an application of data fusion for chemometric classification of 135 canned samples of Chinese lager beers by manufacturer based on the combination of fluorescence, UV and visible spectroscopies. Right-angle synchronous fluorescence spectra (SFS) at three wavelength difference Δλ=30, 60 and 80 nm and visible spectra in the range 380-700 nm of undiluted beers were recorded. UV spectra in the range 240-400 nm of diluted beers were measured. A classification model was built using principal component analysis (PCA) and linear discriminant analysis (LDA). LDA with cross-validation showed that the data fusion could achieve 78.5-86.7% correct classification (sensitivity), while those rates using individual spectroscopies ranged from 42.2% to 70.4%. The results demonstrated that the fluorescence, UV and visible spectroscopies complemented each other, yielding higher synergic effect. Copyright © 2015 Elsevier Ltd. All rights reserved.

Benchmark studies of UV-vis spectra simulation for cinnamates with UV filter profile.

PubMed

Garcia, Ricardo D'A; Maltarollo, Vinícius G; Honório, Káthia M; Trossini, Gustavo H G

2015-06-01

Skin cancer is a serious public health problem worldwide, being incident over all five continents and affecting an increasing number of people. As sunscreens are considered an important preventive measure, studies to develop better and safer sunscreens are crucial. Cinnamates are UVB filters with good efficiency and cost-benefit, therefore, their study could lead to the development of new UV filters. A benchmark to define the most suitable density functional theory (DFT) functional to predict UV-vis spectra for ethylhexyl methoxycinnamate was performed. Time-dependent DFT (TD-DFT) calculations were then carried out [B3LYP/6-311 + G(d,p) and B3P86/6-311 + G(d,p) in methanol environment] for seven cinammete derivatives implemented in the Gaussian 03 package. All DFT/TD-DFT simulations were performed after a conformational search with the Monte-Carlo method and MMFF94 force field. B3LYP and B3P86 functionals were better at reproducing closely the experimental spectra of ethylhexyl methoxycinnamate. Calculations of seven cinnamates showed a λmax of around 310 nm, corroborating literature reports. It was observed that the energy for the main electronic transition was around 3.95 eV and could be explained by electron delocalization on the aromatic ring and ester group, which is important to UV absorption. The methodology employed proved to be suitable for determination of the UV spectra of cinnamates and could be used as a tool for the development of novel UV filters.

Conformationally resolved spectroscopy of jet-cooled methacetin

NASA Astrophysics Data System (ADS)

Moon, Cheol Joo; Ahn, Ahreum; Min, Ahreum; Seong, Yeon Guk; Kim, Ju Hyun; Choi, Myong Yong

2017-11-01

The excitation spectra of jet-cooled methacetin (MA) have been measured using a combination of mass-selected resonant two-photon ionization and ultraviolet-ultraviolet hole-burning (UV-UV HB) spectroscopy in the gas phase. Four different UV-UV HB spectra originating from two conformers of MA (syn- and anti-MA) with their fundamental and hot transitions have been obtained. IR-dip spectroscopy has conclusively confirmed the coexistence of the two conformers with the aid of theoretical calculations. Vibronic band assignments in the low frequency region caused by internal methyl group rotation in the methyl-capped peptide group, which originate from the 1e rotational level, are presented.

A UV resonance Raman (UVRR) spectroscopic study on the extractable compounds of Scots pine ( Pinus sylvestris) wood . Part I: Lipophilic compounds

NASA Astrophysics Data System (ADS)

Nuopponen, M.; Willför, S.; Jääskeläinen, A.-S.; Sundberg, A.; Vuorinen, T.

2004-11-01

The wood resin in Scots pine ( Pinus sylvestris) stemwood and branch wood were studied using UV resonance Raman (UVRR) spectroscopy. UVRR spectra of the sapwood and heartwood hexane extracts, solid wood samples and model compounds (six resin acids, three fatty acids, a fatty acid ester, sitosterol and sitosterol acetate) were collected using excitation wavelengths of 229, 244 and 257 nm. In addition, visible Raman spectra of the fatty and resin acids were recorded. Resin compositions of heartwood and sapwood hexane extracts were determined using gas chromatography. Raman signals of both conjugated and isolated double bonds of all the model compounds were resonance enhanced by UV excitation. The oleophilic structures showed strong bands in the region of 1660-1630 cm -1. Distinct structures were enhanced depending on the excitation wavelength. The UVRR spectra of the hexane extracts showed characteristic bands for resin and fatty acids. It was possible to identify certain resin acids from the spectra. UV Raman spectra collected from the solid wood samples containing wood resin showed a band at ˜1650 cm -1 due to unsaturated resin components. The Raman signals from extractives in the resin rich branch wood sample gave even more strongly enhanced signals than the aromatic lignin.

A UV resonance Raman (UVRR) spectroscopic study on the extractable compounds of Scots pine (Pinus sylvestris) wood. Part I: lipophilic compounds.

PubMed

Nuopponen, M; Willför, S; Jääskeläinen, A-S; Sundberg, A; Vuorinen, T

2004-11-01

The wood resin in Scots pine (Pinus sylvestris) stemwood and branch wood were studied using UV resonance Raman (UVRR) spectroscopy. UVRR spectra of the sapwood and heartwood hexane extracts, solid wood samples and model compounds (six resin acids, three fatty acids, a fatty acid ester, sitosterol and sitosterol acetate) were collected using excitation wavelengths of 229, 244 and 257 nm. In addition, visible Raman spectra of the fatty and resin acids were recorded. Resin compositions of heartwood and sapwood hexane extracts were determined using gas chromatography. Raman signals of both conjugated and isolated double bonds of all the model compounds were resonance enhanced by UV excitation. The oleophilic structures showed strong bands in the region of 1660-1630 cm(-1). Distinct structures were enhanced depending on the excitation wavelength. The UVRR spectra of the hexane extracts showed characteristic bands for resin and fatty acids. It was possible to identify certain resin acids from the spectra. UV Raman spectra collected from the solid wood samples containing wood resin showed a band at approximately 1650 cm(-1) due to unsaturated resin components. The Raman signals from extractives in the resin rich branch wood sample gave even more strongly enhanced signals than the aromatic lignin.

UV filters for lighting of plants

NASA Astrophysics Data System (ADS)

Doehring, T.; Koefferlein, M.; Thiel, S.; Seidlitz, H. K.; Payer, H. D.

1994-03-01

The wavelength dependent interaction of biological systems with radiation is commonly described by appropriate action spectra. Particularly effective plant responses are obtained for ultraviolet (UV) radiation. Excess shortwave UV-B radiation will induce genetic defects and plant damage. Besides the ecological discussion of the deleterious effects of the excess UV radiation there is increasing interest in horticultural applications of this spectral region. Several metabolic pathways leading to valuable secondary plant products like colors, odors, taste, or resulting in mechanical strength and vitality are triggered by UV radiation. Thus, in ecologically as well as in economically oriented experiments the exact generation and knowledge of the spectral irradiance, particularly near the UV absorption edge, is essential. The ideal filter 'material' to control the UV absorption edge would be ozone itself. However, due to problems in controlling the toxic and chemically aggressive, instable gas, only rather 'small ozone filters' have been realized so far. In artificial plant lighting conventional solid filter materials such as glass sheets and plastic foils (celluloseacetate or cellulosetriacetate) which can be easily handled have been used to absorb the UV-C and the excess shortwave UV-B radiation of the lamp emissions. Different filter glasses are available which provide absorption properties suitable for gradual changes of the spectral UV-B illumination of artificial lighting. Using a distinct set of lamps and filter glasses an acceptable simulation of the UV-B part of natural global radiation can be achieved. The aging of these and other filter materials under the extreme UV radiation in the lamphouse of a solar simulator is presently unavoidable. This instability can be dealt with only by a precise spectral monitoring and by replacing the filters accordingly. For this reason attempts would be useful to develop real ozone filters which can replace glass filters. In any case chamber experiments require a careful selection of the filter material used and must be accompanied by a continuous UV-B monitoring.

UV filters for lighting of plants

NASA Technical Reports Server (NTRS)

Doehring, T.; Koefferlein, M.; Thiel, S.; Seidlitz, H. K.; Payer, H. D.

1994-01-01

The wavelength dependent interaction of biological systems with radiation is commonly described by appropriate action spectra. Particularly effective plant responses are obtained for ultraviolet (UV) radiation. Excess shortwave UV-B radiation will induce genetic defects and plant damage. Besides the ecological discussion of the deleterious effects of the excess UV radiation there is increasing interest in horticultural applications of this spectral region. Several metabolic pathways leading to valuable secondary plant products like colors, odors, taste, or resulting in mechanical strength and vitality are triggered by UV radiation. Thus, in ecologically as well as in economically oriented experiments the exact generation and knowledge of the spectral irradiance, particularly near the UV absorption edge, is essential. The ideal filter 'material' to control the UV absorption edge would be ozone itself. However, due to problems in controlling the toxic and chemically aggressive, instable gas, only rather 'small ozone filters' have been realized so far. In artificial plant lighting conventional solid filter materials such as glass sheets and plastic foils (celluloseacetate or cellulosetriacetate) which can be easily handled have been used to absorb the UV-C and the excess shortwave UV-B radiation of the lamp emissions. Different filter glasses are available which provide absorption properties suitable for gradual changes of the spectral UV-B illumination of artificial lighting. Using a distinct set of lamps and filter glasses an acceptable simulation of the UV-B part of natural global radiation can be achieved. The aging of these and other filter materials under the extreme UV radiation in the lamphouse of a solar simulator is presently unavoidable. This instability can be dealt with only by a precise spectral monitoring and by replacing the filters accordingly. For this reason attempts would be useful to develop real ozone filters which can replace glass filters. In any case chamber experiments require a careful selection of the filter material used and must be accompanied by a continuous UV-B monitoring.

Laboratory spectroscopy of meteorite samples at UV-vis-NIR wavelengths: Analysis and discrimination by principal components analysis

NASA Astrophysics Data System (ADS)

Penttilä, Antti; Martikainen, Julia; Gritsevich, Maria; Muinonen, Karri

2018-02-01

Meteorite samples are measured with the University of Helsinki integrating-sphere UV-vis-NIR spectrometer. The resulting spectra of 30 meteorites are compared with selected spectra from the NASA Planetary Data System meteorite spectra database. The spectral measurements are transformed with the principal component analysis, and it is shown that different meteorite types can be distinguished from the transformed data. The motivation is to improve the link between asteroid spectral observations and meteorite spectral measurements.

Formation of giant H II regions following supernova explosions

NASA Technical Reports Server (NTRS)

Sartori, L.

1971-01-01

The principal optical properties of type I supernovae are summarized. These include the light curve and the spectrum. The spectra consist of broad bands with very little continuum. According to the theory presented, the observed light is principally fluorescence, excited in the medium surrounding the supernova by ultraviolet radiation originating from the explosion. It is proposed that the spectrum that impinges on the fluorescent medium while emission is taking place must fall abruptly across the Lyman edge of He II. Such a filtering action is plausibly provided by a much denser internal region, rich in helium, immediately surrounding the exploding object. This will form a Stromgren sphere during the time the intense UV pulse is passing through it. The dense region also slows down the photons below the edge by Thomson scattering, thereby spreading out the UV pulse in time. Various proposed mechanisms for the production of ionization in the Gum nebula are discussed.

Photochromic properties of the N-Salicylideneaniline in Polyvinyl Butyral matrix: Experimental and theoretical investigations

NASA Astrophysics Data System (ADS)

Shahab, Siyamak; Filippovich, Liudmila; Aharodnikova, M.; Almodarresiyeh, Hora A.; Hajikolaee, Fatemeh Haji; Kumar, Rakesh; Mashayekhi, Mahsa

2017-04-01

In the present work, isomerization, photophysical properties, thermal conductivity (λ) and spectral study of the N-Salicylideneaniline: 2-[(E)-(phenylimino)methyl]phenol (SA) under the action of UV radiation in the Polyvinyl Butyral (PVB) matrix were studied using the Indicator method and Density Functional Theory (DFT). The electronic absorption spectra of SA and its isomers (SA1 and SA2) in dimethylformamide (DMF) solutions were also calculated. The nature of absorption bands of SA, SA1 and SA2 in the visible and near ultraviolet spectral regions was interpreted. The excitation energies, electronic transitions and oscillator strengths for SA, SA1 and SA2 have also been calculated. Thermal Conductivity of PVB-films containing SA before and after UV radiation was also measured. A Photochromic PVB - film on the basis of SA for application in optical devices and display technologies was made.

Bond Length Dependence on Quantum States as Shown by Spectroscopy

ERIC Educational Resources Information Center

Lim, Kieran F.

2005-01-01

A discussion on how a spreadsheet simulation of linear-molecular spectra could be used to explore the dependence of rotational band spacing and contours on average bond lengths in the initial and final quantum states is presented. The simulation of hydrogen chloride IR, iodine UV-vis, and nitrogen UV-vis spectra clearly show whether the average…

Airborne observations of astronomical objects

NASA Technical Reports Server (NTRS)

Sivjee, G. G.

1976-01-01

The UV spectra of the sun, as well as the differences and ratios of planetary and solar spectra, are presented. The results indicate that SO, SO2 and ClO2 may be present in Venus' atmosphere, and Formaldehyde CH2O and ClO2 on Jupiter. The solar UV measurements were analyzed to deduce ozone concentration in the earth's atmosphere.

Astrophysics Meets Atomic Physics: Fe I Line Identifications and Templates for Old Stellar Populations from Warm and Hot Stellar UV Spectra

NASA Astrophysics Data System (ADS)

Peterson, Ruth

2017-08-01

Imaging surveys from the ultraviolet to the infrared are recording ever more distant astronomical sources. Needed to interpret them are high-resolution ultraviolet spectral templates at all metallicities for both old and intermediate-age stars, and the atomic physics data essential to model their spectra. To this end we are proposing new UV spectra of four warm and hot stars spanning a wide range of metallicity. These will provide observational templates of old and young metal-poor turnoff stars, and the laboratory source for the identification of thousands of lines of neutral iron that appear in stellar spectra but are not identified in laboratory spectra. By matching existing and new stellar spectra to calculations of energy levels, line wavelengths, and gf-values, Peterson & Kurucz (2015) and Peterson, Kurucz, & Ayres (2017) identified 124 Fe I levels with energies up to 8.4eV. These provided 3000 detectable Fe I lines from 1600A to 5.4mu, and yielded empirical gf-values for 640 of these. Here we propose high-resolution UV spectra reaching 1780A for the first time at the turnoff, to detect and identify the strongest Fe I lines at 1800 - 1850A. This should add 250 new Fe I levels. These spectra, plus one at lower resolution reaching 1620A, will also provide empirical UV templates for turnoff stars at high redshifts as well as low. This is essential to deriving age and metallicity independently for globular clusters and old galaxies out to z 3. It will also improve abundances of trace elements in metal-poor stars, constraining nucleosynthesis at early epochs and aiding the reconstruction of the populations of the Milky Way halo and of nearby globular clusters.

Ultraviolet reflectance properties of asteroids

NASA Astrophysics Data System (ADS)

Butterworth, P. S.; Meadows, A. J.

1985-05-01

An analysis of the UV spectra of 28 asteroids obtained with the Internal Ultraviolet Explorer (IUE) satellite is presented. The spectra lie within the range 2100-3200 A. The results are examined in terms of both asteroid classification and of current ideas concerning the surface mineralogy of asteroids. For all the asteroids examined, UV reflectivity declines approximately linearly toward shorter wavelengths. In general, the same taxonomic groups are seen in the UV as in the visible and IR, although there is some evidence for asteroids with anomalous UV properties and for UV subclasses within the S class. No mineral absorption features are reported of strength similar to the strongest features in the visible and IR regions, but a number of shallow absorptions do occur and may provide valuable information on the surface composition of many asteroids.

Aromatic Cluster Sensor of Protein Folding: Near-UV Electronic Circular Dichroism Bands Assigned to Fold Compactness.

PubMed

Farkas, Viktor; Jákli, Imre; Tóth, Gábor K; Perczel, András

2016-09-19

Both far- and near-UV electronic circular dichroism (ECD) spectra have bands sensitive to thermal unfolding of Trp and Tyr residues containing proteins. Beside spectral changes at 222 nm reporting secondary structural variations (far-UV range), L b bands (near-UV range) are applicable as 3D-fold sensors of protein's core structure. In this study we show that both L b (Tyr) and L b (Trp) ECD bands could be used as sensors of fold compactness. ECD is a relative method and thus requires NMR referencing and cross-validation, also provided here. The ensemble of 204 ECD spectra of Trp-cage miniproteins is analysed as a training set for "calibrating" Trp↔Tyr folded systems of known NMR structure. While in the far-UV ECD spectra changes are linear as a function of the temperature, near-UV ECD data indicate a non-linear and thus, cooperative unfolding mechanism of these proteins. Ensemble of ECD spectra deconvoluted gives both conformational weights and insight to a protein folding↔unfolding mechanism. We found that the L b 293 band is reporting on the 3D-structure compactness. In addition, the pure near-UV ECD spectrum of the unfolded state is described here for the first time. Thus, ECD folding information now validated can be applied with confidence in a large thermal window (5≤T≤85 °C) compared to NMR for studying the unfolding of Trp↔Tyr residue pairs. In conclusion, folding propensities of important proteins (RNA polymerase II, ubiquitin protein ligase, tryptase-inhibitor etc.) can now be analysed with higher confidence. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

UV-POSIT: Web-Based Tools for Rapid and Facile Structural Interpretation of Ultraviolet Photodissociation (UVPD) Mass Spectra

NASA Astrophysics Data System (ADS)

Rosenberg, Jake; Parker, W. Ryan; Cammarata, Michael B.; Brodbelt, Jennifer S.

2018-04-01

UV-POSIT (Ultraviolet Photodissociation Online Structure Interrogation Tools) is a suite of web-based tools designed to facilitate the rapid interpretation of data from native mass spectrometry experiments making use of 193 nm ultraviolet photodissociation (UVPD). The suite includes four separate utilities which assist in the calculation of fragment ion abundances as a function of backbone cleavage sites and sequence position; the localization of charge sites in intact proteins; the calculation of hydrogen elimination propensity for a-type fragment ions; and mass-offset searching of UVPD spectra to identify unknown modifications and assess false positive fragment identifications. UV-POSIT is implemented as a Python/Flask web application hosted at http://uv-posit.cm.utexas.edu. UV-POSIT is available under the MIT license, and the source code is available at https://github.com/jarosenb/UV_POSIT. [Figure not available: see fulltext.

UV-POSIT: Web-Based Tools for Rapid and Facile Structural Interpretation of Ultraviolet Photodissociation (UVPD) Mass Spectra.

PubMed

Rosenberg, Jake; Parker, W Ryan; Cammarata, Michael B; Brodbelt, Jennifer S

2018-06-01

UV-POSIT (Ultraviolet Photodissociation Online Structure Interrogation Tools) is a suite of web-based tools designed to facilitate the rapid interpretation of data from native mass spectrometry experiments making use of 193 nm ultraviolet photodissociation (UVPD). The suite includes four separate utilities which assist in the calculation of fragment ion abundances as a function of backbone cleavage sites and sequence position; the localization of charge sites in intact proteins; the calculation of hydrogen elimination propensity for a-type fragment ions; and mass-offset searching of UVPD spectra to identify unknown modifications and assess false positive fragment identifications. UV-POSIT is implemented as a Python/Flask web application hosted at http://uv-posit.cm.utexas.edu . UV-POSIT is available under the MIT license, and the source code is available at https://github.com/jarosenb/UV_POSIT . Graphical Abstract.

Unexpected solvent effects on the UV/Vis absorption spectra of o-cresol in toluene and benzene: in contrast with non-aromatic solvents

PubMed Central

Zheng, Dong; Yuan, Xiang-Ai; Ma, Haibo; Li, Xiaoxiong; Wang, Xizhang; Liu, Ziteng

2018-01-01

Cresol is a prototype molecule in understanding intermolecular interactions in material and biological systems, because it offers different binding sites with various solvents and protonation states under different pH values. It is found that the UV/Vis absorption spectra of o-cresol in aromatic solvents (benzene, toluene) are characterized by a sharp peak, unlike the broad double-peaks in 11 non-aromatic solvents. Both molecular dynamics simulations and electronic structure calculations revealed the formation of intermolecular π-complexation between o-cresol and aromatic solvents. The thermal movements of solvent and solute molecules render the conformations of o-cresol changing between trans and cis isomers. The π-interaction makes the cis configuration a dominant isomer, hence leading to the single keen-edged UV/Vis absorption peak at approximately 283 nm. The free conformation changes between trans and cis in aqueous solution rationalize the broader absorption peaks in the range of 260–280 nm. The pH dependence of the UV/Vis absorption spectra in aqueous solutions is also rationalized by different protonation states of o-cresol. The explicit solvent model with long-ranged interactions is vital to describe the effects of π-complexation and electrostatic interaction on the UV/Vis absorption spectra of o-cresol in toluene and alkaline aqueous (pH > 10.3) solutions, respectively. PMID:29657794

Unexpected solvent effects on the UV/Vis absorption spectra of o-cresol in toluene and benzene: in contrast with non-aromatic solvents.

PubMed

Zheng, Dong; Yuan, Xiang-Ai; Ma, Haibo; Li, Xiaoxiong; Wang, Xizhang; Liu, Ziteng; Ma, Jing

2018-03-01

Cresol is a prototype molecule in understanding intermolecular interactions in material and biological systems, because it offers different binding sites with various solvents and protonation states under different pH values. It is found that the UV/Vis absorption spectra of o -cresol in aromatic solvents (benzene, toluene) are characterized by a sharp peak, unlike the broad double-peaks in 11 non-aromatic solvents. Both molecular dynamics simulations and electronic structure calculations revealed the formation of intermolecular π-complexation between o -cresol and aromatic solvents. The thermal movements of solvent and solute molecules render the conformations of o -cresol changing between trans and cis isomers. The π-interaction makes the cis configuration a dominant isomer, hence leading to the single keen-edged UV/Vis absorption peak at approximately 283 nm. The free conformation changes between trans and cis in aqueous solution rationalize the broader absorption peaks in the range of 260-280 nm. The pH dependence of the UV/Vis absorption spectra in aqueous solutions is also rationalized by different protonation states of o -cresol. The explicit solvent model with long-ranged interactions is vital to describe the effects of π-complexation and electrostatic interaction on the UV/Vis absorption spectra of o -cresol in toluene and alkaline aqueous (pH > 10.3) solutions, respectively.

Holick's rule and vitamin D from sunlight.

PubMed

Dowdy, John C; Sayre, Robert M; Holick, Michael F

2010-07-01

Holick's rule says that sun exposure 1/4 of a minimal erythemal dose (MED) over 1/4 of a body is equivalent to 1000 International Units (IU) oral vitamin D3. Webb and Engelsen recently commented that the ultraviolet (UV) spectrum used to establish Holick's rule is unknown. They consequently used a spring midday Boston solar spectrum to estimate ample sunlight exposures for previtamin D3 (preD3) at various locations. Literature review found the source upon which this rule is based was a fluorescent sunlamp (FS lamp). The FS spectrum is known and its relative weighting against the action spectra for erythema and the preD3 is significantly different from the solar spectrum used to derive the standard vitamin D effective dose (SDD). The preD3 effectiveness of the solar spectrum per unit erythemal hazard is greater than the FS lamp by a factor of 1.32. Consequently, UV exposure estimates based on Boston reference sunlight, instead of the UV lamp employed in the originating experiments, over estimate UV exposure equivalent to approximately 1000 IU orally by approximately 1/3. This redefinition of SDD impacts risk/benefit assessments of optimal/feasible sun exposure for vitamin D maintenance and the application of Holick's rule to rational public health messages. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

Biological effects of high ultraviolet radiation on early earth--a theoretical evaluation.

PubMed

Cockell, C S

1998-08-21

The surface of early Earth was exposed to both UVC radiation (< 280 nm) and higher doses of UVB (280-315 nm) compared with the surface of present day Earth. The degree to which this radiation environment acted as a selection pressure on organisms and biological systems has rarely been theoretically examined with respect to the biologically effective irradiances that ancient organisms would receive. Here action spectra for DNA inactivation and isolated chloroplast inhibition are used to estimate biologically effective irradiances on archean Earth. Comparisons are made with present day Earth. The theoretical estimations on the UV radiation screening required to protect DNA on archean Earth compare well with field and laboratory observations on protection strategies found in present day microbial communities. They suggest that many physical and biological methods may have been effective and would have allowed for the radiation of life even under the high UV radiation regimes of archean Earth. Such strategies would also have provided effective reduction of photoinhibition by UV radiation. The data also suggest that the UV regime on the surface of Mars is not a life limiting factor per se, although other environmental factors such as desiccation and low temperatures may contribute towards the apparent lack of a surface biota.

Evaporation of Particle-Stabilized Emulsion Sunscreen Films.

PubMed

Binks, Bernard P; Fletcher, Paul D I; Johnson, Andrew J; Marinopoulos, Ioannis; Crowther, Jonathan M; Thompson, Michael A

2016-08-24

We recently showed (Binks et al., ACS Appl. Mater. Interfaces, 2016, DOI: 10.1021/acsami.6b02696) how evaporation of sunscreen films consisting of solutions of molecular UV filters leads to loss of UV light absorption and derived sun protection factor (SPF). In the present work, we investigate evaporation-induced effects for sunscreen films consisting of particle-stabilized emulsions containing a dissolved UV filter. The emulsions contained either droplets of propylene glycol (PG) in squalane (SQ), droplets of SQ in PG or droplets of decane in PG. In these different emulsion types, the SQ is involatile and shows no evaporation, the PG is volatile and evaporates relatively slowly, whereas the decane is relatively very volatile and evaporates quickly. We have measured the film mass and area, optical micrographs of the film structure, and the UV absorbance spectra during evaporation. For emulsion films containing the involatile SQ, evaporation of the PG causes collapse of the emulsion structure with some loss of specular UV absorbance due to light scattering. However, for these emulsions with droplets much larger than the wavelength of light, the light is scattered only at small forward angles so does not contribute to the diffuse absorbance and the film SPF. The UV filter remains soluble throughout the evaporation and thus the UV absorption by the filter and the SPF remain approximately constant. Both PG-in-SQ and SQ-in-PG films behave similarly and do not show area shrinkage by dewetting. In contrast, the decane-in-PG film shows rapid evaporative loss of the decane, followed by slower loss of the PG resulting in precipitation of the UV filter and film area shrinkage by dewetting which cause the UV absorbance and derived SPF to decrease. Measured UV spectra during evaporation are in reasonable agreement with spectra calculated using models discussed here.

A proposal for in vitro/GFR molecular erythema action spectrum

NASA Astrophysics Data System (ADS)

de Souza, João A. V.; Lorenzini, Fabiane; Rizzatti, Mara R.

2008-08-01

We propose an erythema action spectrum based on experimental molecular measurements named molecular erythema action spectrum or in vitro/GFR, where the acronym GFR represents our research group name, Grupo de Física das Radiaçöes. The in vitro methodology was developed by using a derma tissue simulator (TSD), as a radiation protection shield, and monochromatic ultraviolet (UV) sources of 254, 310, 365, 380, and 400 nm. The irradiance from each source was monitored through spectroradiometry in order to obtain the exposure dose over a period of time. Changes in the chemical structure were monitored by Fourier transform infrared spectroscopy (FTIR) and UV and visible spectroscopy (UV-vis). The samples were analyzed by UV-vis at each 200 up to 1000 J/m2 and at each 400 up to 2000 J/m2. FTIR was performed only for samples exposed to a maximum dose of 2000 J/m2. The in vitro action parameters were obtained by considering the redshift revealed through UV-vis analysis, as being the molecular quantification of minimal erythema, and the chemical bond rupture of TSD molecules associated with erythema, revealed through FTIR. The in vitro/GFR action spectrum shows that UV-A and UV-B radiation are equally responsible for the damage observed in TSD. When this proposal was compared to the CIE erythema action spectrum from ISO [ISO17166 CIE S 007/E, Erythema Reference Action Spectrum and Standard Erythema Dose (CIE Central Bureau, Austria, 1998)], similarities could be observed in wavelengths less than 280 nm in UV-B region. However, for wavelengths higher than 300 nm, the efficiency of this radiation to induce damage, mainly in the UV-A part, was much higher than predicted in CIE model. The increasing concern on UV-A radiation, assumed to be as responsible as UV-B for inducing most of the already observed skin injuries, may be better understood when observing the experimental model presented in in vitro/GFR action spectrum.

Space Telescope and Optical Reverberation Mapping Project VI. Variations of the Intrinsic Absorption Lines in NGC 5548

NASA Astrophysics Data System (ADS)

Kriss, Gerard A.; Agn Storm Team

2015-01-01

The AGN STORM collaboration monitored the Seyfert 1 galaxy NGC 5548 over a six-month period, with observations spanning the hard X-ray to mid-infrared wavebands. The core of this campaign was an intensive HST COS program, which obtained 170 far-ultraviolet spectra at approximately daily intervals, with twice-per-day monitoring of the X-ray, near-UV, and optical bands during much of the same period using Swift. The broad UV absorption lines discovered by Kaastra et al. (2014) and associated with the new soft X-ray obscurer are continuously present in the STORM campaign COS spectra. Their strength varies with the degree of soft X-ray obscuration as revealed by the Swift X-ray spectra. The narrow associated absorption lines in the UV spectrum of NGC 5548 remain strong. The lower-ionization transitions that appeared concurrently with the soft X-ray obscuration vary in response to the changing UV flux on a daily basis. Their depths over the longer term, however, also respond to the strength of the soft X-ray obscuration, indicating that the soft X-ray obscurer has a significant influence on the ionizing UV continuum that is not directly tracked by the observable UV continuum itself.

Forecasting of UV-Vis absorbance time series using artificial neural networks combined with principal component analysis.

PubMed

Plazas-Nossa, Leonardo; Hofer, Thomas; Gruber, Günter; Torres, Andres

2017-02-01

This work proposes a methodology for the forecasting of online water quality data provided by UV-Vis spectrometry. Therefore, a combination of principal component analysis (PCA) to reduce the dimensionality of a data set and artificial neural networks (ANNs) for forecasting purposes was used. The results obtained were compared with those obtained by using discrete Fourier transform (DFT). The proposed methodology was applied to four absorbance time series data sets composed by a total number of 5705 UV-Vis spectra. Absolute percentage errors obtained by applying the proposed PCA/ANN methodology vary between 10% and 13% for all four study sites. In general terms, the results obtained were hardly generalizable, as they appeared to be highly dependent on specific dynamics of the water system; however, some trends can be outlined. PCA/ANN methodology gives better results than PCA/DFT forecasting procedure by using a specific spectra range for the following conditions: (i) for Salitre wastewater treatment plant (WWTP) (first hour) and Graz West R05 (first 18 min), from the last part of UV range to all visible range; (ii) for Gibraltar pumping station (first 6 min) for all UV-Vis absorbance spectra; and (iii) for San Fernando WWTP (first 24 min) for all of UV range to middle part of visible range.

Diagnostic spectroscopic and computer-aided evaluation of malignancy from UV/VIS spectra of clear pleural effusions

NASA Astrophysics Data System (ADS)

Jevtić, Dubravka R.; Avramov Ivić, Milka L.; Reljin, Irini S.; Reljin, Branimir D.; Plavec, Goran I.; Petrović, Slobodan D.; Mijin, Dušan Ž.

2014-06-01

The automated, computer-aided method for differentiation and classification of malignant (M) from benign (B) cases, by analyzing the UV/VIS spectra of pleural effusions is described. It was shown that by two independent objective features, the maximum of Katz fractal dimension (KFDmax) and the area under normalized UV/VIS absorbance curve (Area), highly reliable M-B classification is possible. In the Area-KFDmax space M and B samples are linearly separable permitting thus the use of linear support vector machine as a classification tool. By analyzing 104 samples of UV/VIS spectra of pleural effusions (88 M and 16 B) collected from patients at the Clinic for Lung Diseases and Tuberculosis, Military Medical Academy in Belgrade, the accuracy of 95.45% for M cases and 100% for B cases are obtained by using the proposed method. It was shown that by applying some modifications, which are suggested in the paper, the accuracy of 100% for M cases can be reached.

Protonation effects on the UV/Vis absorption spectra of imatinib: a theoretical and experimental study.

PubMed

Grante, Ilze; Actins, Andris; Orola, Liana

2014-08-14

An experimental and theoretical investigation of protonation effects on the UV/Vis absorption spectra of imatinib showed systematic changes of absorption depending on the pH, and a new absorption band appeared below pH 2. These changes in the UV/Vis absorption spectra were interpreted using quantum chemical calculations. The geometry of various imatinib cations in the gas phase and in ethanol solution was optimized with the DFT/B3LYP method. The resultant geometries were compared to the experimentally determined crystal structures of imatinib salts. The semi-empirical ZINDO-CI method was employed to calculate the absorption lines and electronic transitions. Our study suggests that the formation of the extra near-UV absorption band resulted from an increase of imatinib trication concentration in the solution, while the rapid increase of the first absorption maximum could be attributed to both the formation of imatinib trication and tetracation. Copyright © 2014 Elsevier B.V. All rights reserved.

Archival Study of Energetic Processes in the Upper Atmosphere of the Outer Planets

NASA Technical Reports Server (NTRS)

Ballester, Gilda E.; Harris, Walter M.

1998-01-01

We compare International Ultraviolet Explorer (IUE) spectral observations of Jupiter's UltraViolet (UV) aurora in H-Lyman alpha (H-Lya) and H2 emissions with images of the UV aurora with HST to make more realistic interpretations of the IUE dataset. Use the limited spatial information in the IUE line-by-line spectra of the bright H-Lya line emission in the form of pseudo-monochromatic images at the IUE 3.5 arcsec resolution (Lya pseudo-images), to derive information on the emissions. Analysing of H2 spectra of Saturn's UV aurora to infer atmospheric level of auroral excitation from the methane absorption (color ratios). Analysing of a Uranus IUE dataset to determine periodicity in the emissions attributable to auroral emission fixed in magnetic longitude. Reviewing of the results from IUE observations of the major planets, upper atmospheres and interactions with the planets magnetospheres. Analysing of IUE spectra of the UV emissions from Io to identify excitation processes and infer properties of the Io-torus-Jupiter system.

UV EFFECTS IN TOOTH ENAMEL AND THEIR POSSIBLE APPLICATION IN EPR DOSIMETRY WITH FRONT TEETH

PubMed Central

Sholom, S.; Desrosiers, M.; Chumak, V.; Luckyanov, N.; Simon, S.L.; Bouville, A.

2009-01-01

The effects of ultraviolet (UV) radiation on ionizing radiation biodosimetry were studied in human tooth enamel samples using the technique of electron paramagnetic resonance (EPR) in X-band. For samples in the form of grains, UV-specific EPR spectra were spectrally distinct from that produced by exposure to gamma radiation. From larger enamel samples, the UV penetration depth was determined to be in the 60–120 μm range. The difference in EPR spectra from UV exposure and from exposure to gamma radiation samples was found to be a useful marker of UV equivalent dose (defined as the apparent contribution to the gamma dose in mGy that results from UV radiation absorption) in tooth enamel. This concept was preliminarily tested on front teeth from inhabitants of the region of the Semipalatinsk Nuclear Test Site (Kazakhstan) who might have received some exposure to gamma radiation from the nuclear tests conducted there as well as from normal UV radiation in sunlight. The technique developed here to quantify and subtract the UV contribution to the measured tooth is currently limited to cumulative dose measurements with a component of UV equivalent dose equal to or greater than 300 mGy. PMID:20065706

VizieR Online Data Catalog: Radial velocities of the Be star HR 2142 (Peters+, 2016)

NASA Astrophysics Data System (ADS)

Peters, G. J.; Wang, L.; Gies, D. R.; Grundstrom, E. D.

2016-11-01

Radial velocity measurements were made using the set of spectra summarized in Table 1. The main focus of this work is a set of 88 high resolution, SWP HIRES FUV spectra acquired over the lifetime of the International Ultraviolet Explorer (IUE) observatory. These were downloaded from MAST and resampled. We also collected a set of 49 LWR and LWP near-UV spectra that were used to inspect the orbital variations in the MgII2796,2803 feature. The UV spectra were supplemented with a large collection of Hα spectra that we secured with the KPNO Coude Feed telescope and that were obtained by amateur astronomers participating in the Be Star Spectra database project (Pollmann 2007IBVS.5778....1P; Neiner et al. 2011AJ....142..149N). (2 data files).

Calculation of UV, IR, and NMR Spectra of Diethyl 2,2'-[(1,1'-Biphenyl)-4,4'-Diylbis(Azanediyl)]Diacetate

NASA Astrophysics Data System (ADS)

Almodarresiyeh, H. A.; Shahab, S. N.; Zelenkovsky, V. M.; Ariko, N. G.; Filippovich, L. N.; Agabekov, V. E.

2014-03-01

The new substance diethyl 2,2'-[(1,1'-biphenyl)-4,4'-diylbis(azanediyl)]diacetate (M13) was modeled using the Hartree-Fock and density functional theory methods and then synthesized. The electronic absorption spectrum of M13 in dimethylformamide solution was calculated. The UV, IR, and NMR spectra of M13 were presented.

Probing cis-trans isomerization in the S{sub 1} state of C{sub 2}H{sub 2} via H-atom action and hot band-pumped IR-UV double resonance spectroscopies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Changala, P. Bryan; Baraban, Joshua H.; Field, Robert W., E-mail: rwfield@mit.edu

2015-08-28

We report novel experimental strategies that should prove instrumental in extending the vibrational and rotational assignments of the S{sub 1} state of acetylene, C{sub 2}H{sub 2}, in the region of the cis-trans isomerization barrier. At present, the assignments are essentially complete up to ∼500 cm{sup −1} below the barrier. Two difficulties arise when the assignments are continued to higher energies. One is that predissociation into C{sub 2}H + H sets in roughly 1100 cm{sup −1} below the barrier; the resulting quenching of laser-induced fluorescence (LIF) reduces its value for recording spectra in this region. The other difficulty is that tunnelingmore » through the barrier causes a staggering in the K-rotational structure of isomerizing vibrational levels. The assignment of these levels requires data for K values up to at least 3. Given the rotational selection rule K′ − ℓ{sup ′′} = ± 1, such data must be obtained via excited vibrational levels of the ground state with ℓ{sup ′′} > 0. In this paper, high resolution H-atom resonance-enhanced multiphoton ionization spectra are demonstrated to contain predissociated bands which are almost invisible in LIF spectra, while preliminary data using a hyperthermal pulsed nozzle show that ℓ{sup ′′} = 2 states can be selectively populated in a jet, giving access to K′ = 3 states in IR-UV double resonance.« less

Application of Independent Component Analysis to Legacy UV Quasar Spectra

NASA Astrophysics Data System (ADS)

Richards, Gordon

2017-08-01

We propose to apply a novel analysis technique to UV spectroscopy ofquasars in the HST archive. We endeavor to analyze all of thearchival quasar spectra, but will first focus on those quasars thatalso have optical spectroscopy from SDSS. An archival investigationby Sulentic et al. (2007) revealed 130 known quasars with UV coverageof CIV complementing optical emission line coverage. Today, thesample has grown considerably and now includes COS spectroscopy. Ourproposal includes a proof-of-concept demonstration of the power of atechnique called Independent Component Analysis (ICA). ICA allows usto reduce complexity of of quasar spectra to just a handful ofnumbers. In addition to providing a uniform set of traditional linemeasurements (and carefully calibrated redshifts), we will provide ICAweights to the community with examples of how they can be used to doscience that previously would have been quite difficult. The time isripe for such an investigation because 1) it has been a decade sincethe last significant archival investigation of UV emission lines fromHST quasars, 2) the future is uncertain for obtaining new UV quasarspectroscopy, and 3) the rise of machine learning has provided us withpowerful new tools. Thus our proposed work will provide a true UVlegacy database for quasar-based investigations.

Model Atmospheres and Spectral Irradiance Library of the Exoplanet Host Stars Observed in the MUSCLES Survey

NASA Astrophysics Data System (ADS)

Linsky, Jeffrey

2017-08-01

We propose to compute state-of-the-art model atmospheres (photospheres, chromospheres, transition regions and coronae) of the 4 K and 7 M exoplanet host stars observed by HST in the MUSCLES Treasury Survey, the nearest host star Proxima Centauri, and TRAPPIST-1. Our semi-empirical models will fit theunique high-resolution panchromatic (X-ray to infrared) spectra of these stars in the MAST High-Level Science Products archive consisting of COS and STIS UV spectra and near-simultaneous Chandra, XMM-Newton, and ground-based observations. We will compute models with the fully tested SSRPM computer software incorporating 52 atoms and ions in full non-LTE (435,986 spectral lines) and the 20 most-abundant diatomic molecules (about 2 million lines). This code has successfully fit the panchromatic spectrum of the M1.5 V exoplanet host star GJ 832 (Fontenla et al. 2016), the first M star with such a detailed model, and solar spectra. Our models will (1) predict the unobservable extreme-UV spectra, (2) determine radiative energy losses and balancing heating rates throughout these atmospheres, (3) compute a stellar irradiance library needed to describe the radiation environment of potentially habitable exoplanets to be studied by TESS and JWST, and (4) in the long post-HST era when UV observations will not be possible, the stellar irradiance library will be a powerful tool for predicting the panchromatic spectra of host stars that have only limited spectral coverage, in particular no UV spectra. The stellar models and spectral irradiance library will be placed quickly in MAST.

Particle-fluorescence spectrometer for real-time single-particle measurements of atmospheric organic carbon and biological aerosol.

PubMed

Pan, Yong-Le; Pinnick, Ronald G; Hill, Steven C; Chang, Richard K

2009-01-15

A particle-fluorescence spectrometer (PFS) for real-time measurements of single-particle UV-laser-induced fluorescence (UV-LIF) excited with a pulsed (263-nm) laser is reported. The dispersed UV-LIF spectra are measured by a 32-anode PMT detector with spectral coverage from 280-600 nm. The PFS represents a significant improvement over our previous apparatus [Pinnick et al., Atmos. Environ. 2004, 38, 1657] and can (1) measure fluorescence spectra of bacterial particles having light-scattering sizes as small as 1 microm (previously limited to about 3 microm) and so can measure particles with size in the range of 1-10 microm, (2) measure each particle's elastic scattering which can be used to estimate particle size (not available previously), (3) measure single-particle fluorescence spectra with a laser and detector that can record spectra as fast as 90,000/s, although the highest rates we have found experimentally in atmospheric measurements is only several hundred per second (previously limited by detectors to only 25/s), and (4) provide a time stamp for a data block of spectra with time resolution from 10 ms to 10 min. In addition, the PFS has been modified to be more robust, transportable, and smaller. The use of an aerodynamic-focusing sheath inlet nozzle assembly has improved the sample rate. The PFS has been employed to measure UV-LIF spectra from individual atmospheric particles during October-December 2006 and January-May 2008 in New Haven, CT, and during January-May 2007 in Las Cruces, NM.

Molecular spectroscopic studies of lichen substances 1: parietin and emodin

NASA Astrophysics Data System (ADS)

Edwards, Howell G. M.; Newton, Emma M.; Wynn-Williams, David D.; Coombes, Steven R.

2003-03-01

The Raman and infrared spectra of the UV-radiation protectant parietin extracted from Xanthoria lichen species are reported and vibrational assignments made of key features which are important for the characterisation of parietin in situ in stress-tolerant living organisms. The spectra of parietin are compared with those of the chemically related emodin, which is of pharmaceutical interest. The key molecular vibrational bands of parietin will be used for the analysis of lichen specimens exposed to high UV-radiation stress growing on Leonie Island, Antarctica, under the 'ozone hole' to better understand the production of UV-protectants in controlled habitats.

The Classification of Ground Roasted Decaffeinated Coffee Using UV-VIS Spectroscopy and SIMCA Method

NASA Astrophysics Data System (ADS)

Yulia, M.; Asnaning, A. R.; Suhandy, D.

2018-05-01

In this work, an investigation on the classification between decaffeinated and non- decaffeinated coffee samples using UV-VIS spectroscopy and SIMCA method was investigated. Total 200 samples of ground roasted coffee were used (100 samples for decaffeinated coffee and 100 samples for non-decaffeinated coffee). After extraction and dilution, the spectra of coffee samples solution were acquired using a UV-VIS spectrometer (Genesys™ 10S UV-VIS, Thermo Scientific, USA) in the range of 190-1100 nm. The multivariate analyses of the spectra were performed using principal component analysis (PCA) and soft independent modeling of class analogy (SIMCA). The SIMCA model showed that the classification between decaffeinated and non-decaffeinated coffee samples was detected with 100% sensitivity and specificity.

Improving UV Resistance of High Performance Fibers

NASA Astrophysics Data System (ADS)

Hassanin, Ahmed

High performance fibers are characterized by their superior properties compared to the traditional textile fibers. High strength fibers have high modules, high strength to weight ratio, high chemical resistance, and usually high temperature resistance. It is used in application where superior properties are needed such as bulletproof vests, ropes and cables, cut resistant products, load tendons for giant scientific balloons, fishing rods, tennis racket strings, parachute cords, adhesives and sealants, protective apparel and tire cords. Unfortunately, Ultraviolet (UV) radiation causes serious degradation to the most of high performance fibers. UV lights, either natural or artificial, cause organic compounds to decompose and degrade, because the energy of the photons of UV light is high enough to break chemical bonds causing chain scission. This work is aiming at achieving maximum protection of high performance fibers using sheathing approaches. The sheaths proposed are of lightweight to maintain the advantage of the high performance fiber that is the high strength to weight ratio. This study involves developing three different types of sheathing. The product of interest that need be protected from UV is braid from PBO. First approach is extruding a sheath from Low Density Polyethylene (LDPE) loaded with different rutile TiO2 % nanoparticles around the braid from the PBO. The results of this approach showed that LDPE sheath loaded with 10% TiO2 by weight achieved the highest protection compare to 0% and 5% TiO2. The protection here is judged by strength loss of PBO. This trend noticed in different weathering environments, where the sheathed samples were exposed to UV-VIS radiations in different weatheromter equipments as well as exposure to high altitude environment using NASA BRDL balloon. The second approach is focusing in developing a protective porous membrane from polyurethane loaded with rutile TiO2 nanoparticles. Membrane from polyurethane loaded with 4% rutile TiO2 nanoparticles showed excellent protection of braid from PBO. Only 7.5% strength loss was observed. To optimize the degree of protection of the sheath loaded with UV blocker particles, computational models were developed to optimize the protective layer thickness/weight and the amount of UV particles that provide the maximum protection with lightest weight of the protective layer and minimum amount of UV particles. The simulated results were found to be higher that the experimental results due to the tendency of nanoparticles to be agglomerated in real experiments. The third approach to achieve a maximum protection with the minimum weight added is constructing a sleeve from SpectraRTM (Ultra High Molecular Weight Polyethylene (UHMWPE) high performance fiber), which is known to resist UV, woven fabric. Covering the braid from PBO fiber with Spectra RTM woven fabric provide hybrid structure with two compatible components that can share the load and thus maintain the high strength to weight ratio. Although the SpectraRTM fabric had maximum cover factor, 20 % of visible light and about 15 % of UV were able to penetrate the fabric. This transmittance of UV-VIS light negatively affected the protection performance of the SpectraRTM woven fabric layer. It is thought that SpectraRTM fabric be coated with a thin layer (mentioned earlier) containing UV blocker for additional protection while maintain strength contribution to the hybrid structure. To maximize the strength to weight ratio of the hybrid structure (with core from PBO braid and sheath from SpectraRTM woven fabric) an established finite element model was utilized. The theoretical results using the finite element theory indicated that by controlling the bending rigidity of the filling yarn of the SpectraRTM fabric, the extension at peak load of woven fabric in warp direction (loading direction) could be controlled to match the braid extension at peak load. The match in the extension at peak load of the two components of the hybrid structure allowed the maximum strength to weight ratio. Thus, the SpectraRTM woven layer could achieve both the protection from UV and the load share in the hybrid structure.

Effect of dehydration in the UV transmittance of "in vitro" corneas

NASA Astrophysics Data System (ADS)

Lincoln, Victor A. C.; Ventura, Liliane; Faria e Sousa, Sidney J.; Mello, Marcio M.

2012-03-01

In ophthalmology the research using "in vitro" corneas are an excellent model for studies of new ophthalmologic procedures, enabling the analysis of effectiveness, performance and even safety parameters of the procedure. In this work we studied four "in vitro" human corneas preserved in OPTISOL-GS, with initial average pachymetry of 542 microns and a post-mortem average of 6 days. The corneas were preserved in OPTISOL-GS and were washed with saline solution to remove the excess the preservative medium. The corneas were placed in a device aligned with an ultraviolet source of 3mw/cm2 and an optical fiber positioned after the device near the endothelium of the cornea. The UV transmittance spectra in the region of 360-370nm were captured by the emission of UV source for 3 seconds. These spectra were captured every 5 minutes in a total of 60 minutes, resulting in 13 spectra per cornea. The measured average initial UV transmittance was 73% and after 50 minutes of dehydration there was no significant difference in the corneal teansmittance properties. However, for the last 10 minutes we have observed a decrease in the UV transmittance of 4%, probably indicated by corneal dehydration and swelling (wrinkling of the cornea tissue. The final average pachymetry was 421 microns and the UV transmittance after the 60 minutes was 69%. Therefore we can suppose that the UV transmittance of corneas "in vitro" is invariant over a period of up to 60 minutes, even with the thickness decrease, since the material that absorbs in the UV region remains intact and only water loss occurs.

Wavelengths, f-Values, and Cross Sections in the UV Spectra of Astrophysical Atoms, Ions, and Molecules

NASA Technical Reports Server (NTRS)

Crane, Phil (Technical Monitor); Raymond, John C.; Parkinson, W. H.

2004-01-01

Contents include the following: Improved UV wavelengths, energy levels, and f-values for iron group ions. Update of Kurucz database of wavelengths and f-values. Publication of improved UV photodissociation cross sections for H2O. UV photoabsorption cross sections for CO bands. Service Activities and Data Outreach.

Vesta's UV Lightcurve: Hemispheric Variation in Brightness and Spectral Reversal

NASA Technical Reports Server (NTRS)

Hendrix, Amanda R.; Vilas, Faith; Festou, Michael

2003-01-01

Spectra of asteroid 4 Vesta obtained in October 1990 with the International Ultraviolet Explorer are reanalyzed and reinterpreted. A large portion of the eastern hemisphere (based on the prime meridian definition of Thomas et al., 1997a) is darker at UV Wavelengths than much of the western hemisphere. The UV lightcurve is in contrast with the visible lightcurve, which shows that the eastern hemisphere is brighter than the western. These IUE spectra of Vesta thus may be evidence for the "spectral reversal." first seen on the Moon by Apollo 17. where the visibly brighter lunar highlands are darker than the maria at far-UV wavelengths. This effect was linked to space weathering when it was noted (Wagner et al., 1987) that the spectral reversal appears in the laboratory spectra of lunar soils but not powdered lunar rocks. We investigate Vesta's UV lightcurve and spectral reversal, and its possible connection with space weathering. The addition to grain coatings of small amounts of submicroscopic iron (SMFe) through vapor deposition causes drastic spectral changes at UV-visible wavelengths (Hapke, 2001). while the longer wavelength spectrum remains largely unaffected. Other laboratory results (e.g., Hiroi and Pieters, 1998) indicate that the UV-visible wavelength range is affected by simulated weathering processes in a manner similar to what is seen on Vesta. It is likely that Vesta has experienced relatively minor amounts of space weathering, as indicated by the spectral reversal, along with the subtle visible-near infrared weathering effects (e.g., Binzel et al., 1997).

Synthesis and characterization of a fluorescent water-soluble paclitaxel prodrug.

PubMed

Sohn, Jeong-Sun; Choi, Eun-Sun; Jo, Byung-Wook; Hess, Michael; Han, Song-Hee

2010-05-01

A fluorescence susceptible water-soluble paclitaxel was synthesized by a condensation reaction between PEGylated paclitaxel (namely, PP7) and 1-pyrene butyric acid (PBA) in order to obtain a better understanding of the mechanism of action of paclitaxel as well as of the environment of the paclitaxel-binding site. The reaction was performed successfully and the resulting paclitaxel was characterized by FT-NMR, analytical-HPLC, UV spectro photometry, and fluorescence spectrometry. The synthesized paclitaxel analogue showed a high susceptibility to fluorescence in both excitation and emission spectra. And we have investigated the time-resolved fluorescence behavior of them in different solvents and at different excitation wavelengths.

[Preparation of a kind of SERS-active substrates for spot fast analysis].

PubMed

Ji, Nan; Li, Zhi-Shi; Zhao, Bing; Zou, Bo

2013-02-01

A kind of SERS-active substrates was prepared using chemical self-assembly method, aiming at spot fast analysis using portable Raman spectrometer. PDDA was first absorbed on the inner wall of vials, and then Ag colloids were assembled on the inner wall. UV-Vis spectra and Raman spectra of two kinds of blank vials were investigated and the transparent vials were thought to be better for SERS-vials. UV-Vis spectra were used to monitor the assembly process of Ag colloids. SERS activity of our substrates was characterized using p-ATP as probing molecules.

Ultraviolet Spectroscopic Monitoring of a Tidal Disruption Eventd

NASA Astrophysics Data System (ADS)

Kochanek, Chris

2017-08-01

Tidal disruption events (TDE), where supermassive black holes destroy stars toproduce accretion flares, are of great current observational andtheoretical interest. Here we propose a seven epoch STIS UV spectroscopic movie'' of a UV bright TDE spread over the first 90 days after a rapid TOO trigger. The roughly 15 day cadence is comparable to the expected and observed time scales for kinematic changes in theoptical and UV emission and absorption lines. We will measurethe evolution of UV absorption and emission lines from elements(e.g., C, N, Si) and ionization states/potentials not seen in optical spectra of TDEs, which should help to illuminate theirdynamical evolution. In some cases, the debris from the stellar cores should have significantly enhanced [N/C] abundances due to the CNO cycle, so UV spectra can provide a means of differentiating debris fromthe core and the envelope of the disrupted star. Optically-selectedTDEs are energetically dominated by their UV emission, making itthe wavelength range most needed to understand these fascinatingtransients.

Assessment of the photoenhanced toxicity of a weathered oil to the tidewater silverside

USGS Publications Warehouse

Little, Edward E.; Cleveland, Laverne; Calfee, Robin D.; Barron, Mace G.

2000-01-01

Studies were conducted to determine the interactive toxicity of a water-accommodated fraction (WAF) of a weathered middle distillate petroleum and solar radiation to an estuarine organism, the tidewater silverside (Menidia beryllina). Juvenile silversides were monitored for survival and growth during a 7-d static renewal exposure to dilutions of WAFs of an environmentally weathered oil collected in the vicinity of an abandoned oil field in California. Ultraviolet (UV) treatments were based on incident sunlight intensity and spectra measured at this site. Exposure to UV alone was not lethal to the fish, and WAF in the absence of UV was toxic at the highest total petroleum hydrocarbon (TPH) concentration (3.03 mg/L) after 96 h of exposure. Water-accommodated fractions toxicity increased significantly with increasing UV irradiance and duration of exposure. The 7-d LC50 concentrations for the control, low, medium, and high irradiance were 2.84, 1.27, 0.93, and 0.51 mg/L TPH, respectively. Significant mortality occurred among fish previously exposed to WAF in the absence of irradiance, whereas WAF toxicity was unaffected by UV exposure prior to the toxicity test. Thus, the mode of action is a photosensitization of the accumulated petroleum residue rather than a photoactivation of WAF. Chemical analysis indicates that the WAF contains limited amounts of polycyclic aromatic hydrocarbons (PAHs) known to be photoenhanced, suggesting that other constituents may be responsible for the observed photoenhanced toxicity.

Unveiling the X-ray/UV properties of AGN winds using Broad and mini-Broad Absorption Line Quasars

NASA Astrophysics Data System (ADS)

Giustini, M.

2015-07-01

BAL/mini-BALs are observed in the UV spectra of ˜ 20-30% of optically selected AGN as broad absorption troughs blueshifted by several thousands km/s, indicative of powerful nuclear winds. They could be representative of the average AGN if their winds cover only 20-30% of the continuum source, and/or represent an evolutionary state analogous to the high-soft state of BHB, when the jet emission is quenched and strong X-ray absorbing equatorial disk winds are virtually ubiquitous. High-quality, possibly time-resolved X-ray/UV studies are crucial to assess the global amount and 'character' of absorption in BAL/mini-BAL QSOs and to constrain the physical mechanism responsible for the launch and acceleration of their winds, therefore placing them in the broader context of AGN geometry and evolution. I will review here the known X-ray properties of BAL/mini-BAL QSOs, and present new results from a comprehensive X-ray spectral analysis of all the Palomar-Green BAL/mini-BAL QSOs with available XMM-Newton observations, for a total of 51 pointings of 14 different sources. These will include the most recent results from a high-quality simultaneous XMM/HST observational campaign on the mini-BAL QSO PG 1126-041, that unveiled with stunning details the X-ray/UV connection in action in an AGN disk wind through correlated X-ray/UV absorption variability.

Theoretical and Experimental Spectroscopic Analysis of Cyano-Substituted Styrylpyridine Compounds

PubMed Central

Castro, Maria Eugenia; Percino, Maria Judith; Chapela, Victor M.; Ceron, Margarita; Soriano-Moro, Guillermo; Lopez-Cruz, Jorge; Melendez, Francisco J.

2013-01-01

A combined theoretical and experimental study on the structure, infrared, UV-Vis and 1H NMR data of trans-2-(m-cyanostyryl)pyridine, trans-2-[3-methyl-(m-cyanostyryl)] pyridine and trans-4-(m-cyanostyryl)pyridine is presented. The synthesis was carried out with an efficient Knoevenagel condensation using green chemistry conditions. Theoretical geometry optimizations and their IR spectra were carried out using the Density Functional Theory (DFT) in both gas and solution phases. For theoretical UV-Vis and 1H NMR spectra, the Time-Dependent DFT (TD-DFT) and the Gauge-Including Atomic Orbital (GIAO) methods were used, respectively. The theoretical characterization matched the experimental measurements, showing a good correlation. The effect of cyano- and methyl-substituents, as well as of the N-atom position in the pyridine ring on the UV-Vis, IR and NMR spectra, was evaluated. The UV-Vis results showed no significant effect due to electron-withdrawing cyano- and electron-donating methyl-substituents. The N-atom position, however, caused a slight change in the maximum absorption wavelengths. The IR normal modes were assigned for the cyano- and methyl-groups. 1H NMR spectra showed the typical doublet signals due to protons in the trans position of a double bond. The theoretical characterization was visibly useful to assign accurately the signals in IR and 1H NMR spectra, as well as to identify the most probable conformation that could be present in the formation of the styrylpyridine-like compounds. PMID:23429190

The ultraviolet environment of Mars: biological implications past, present, and future.

PubMed

Cockell, C S; Catling, D C; Davis, W L; Snook, K; Kepner, R L; Lee, P; McKay, C P

2000-08-01

A radiative transfer model is used to quantitatively investigate aspects of the martian ultraviolet radiation environment, past and present. Biological action spectra for DNA inactivation and chloroplast (photosystem) inhibition are used to estimate biologically effective irradiances for the martian surface under cloudless skies. Over time Mars has probably experienced an increasingly inhospitable photobiological environment, with present instantaneous DNA weighted irradiances 3.5-fold higher than they may have been on early Mars. This is in contrast to the surface of Earth, which experienced an ozone amelioration of the photobiological environment during the Proterozoic and now has DNA weighted irradiances almost three orders of magnitude lower than early Earth. Although the present-day martian UV flux is similar to that of early Earth and thus may not be a critical limitation to life in the evolutionary context, it is a constraint to an unadapted biota and will rapidly kill spacecraft-borne microbes not covered by a martian dust layer. Microbial strategies for protection against UV radiation are considered in the light of martian photobiological calculations, past and present. Data are also presented for the effects of hypothetical planetary atmospheric manipulations on the martian UV radiation environment with estimates of the biological consequences of such manipulations.

The ultraviolet environment of Mars: biological implications past, present, and future

NASA Technical Reports Server (NTRS)

Cockell, C. S.; Catling, D. C.; Davis, W. L.; Snook, K.; Kepner, R. L.; Lee, P.; McKay, C. P.

2000-01-01

A radiative transfer model is used to quantitatively investigate aspects of the martian ultraviolet radiation environment, past and present. Biological action spectra for DNA inactivation and chloroplast (photosystem) inhibition are used to estimate biologically effective irradiances for the martian surface under cloudless skies. Over time Mars has probably experienced an increasingly inhospitable photobiological environment, with present instantaneous DNA weighted irradiances 3.5-fold higher than they may have been on early Mars. This is in contrast to the surface of Earth, which experienced an ozone amelioration of the photobiological environment during the Proterozoic and now has DNA weighted irradiances almost three orders of magnitude lower than early Earth. Although the present-day martian UV flux is similar to that of early Earth and thus may not be a critical limitation to life in the evolutionary context, it is a constraint to an unadapted biota and will rapidly kill spacecraft-borne microbes not covered by a martian dust layer. Microbial strategies for protection against UV radiation are considered in the light of martian photobiological calculations, past and present. Data are also presented for the effects of hypothetical planetary atmospheric manipulations on the martian UV radiation environment with estimates of the biological consequences of such manipulations.

Characterizing the weathering induced changes in optical performance and properties of poly(ethylene-terephthalate) via MaPd:RTS spectroscopy

NASA Astrophysics Data System (ADS)

Gordon, Devin A.; DeNoyer, Lin; Meyer, Corey W.; Sweet, Noah W.; Burns, David M.; Bruckman, Laura S.; French, Roger H.

2017-08-01

Poly(ethylene-terephthalate) (PET) film is widely used in photovoltaic module backsheets for its dielectric break- down strength, and in applications requiring high optical clarity for its high transmission in the visible region. However, PET degrades and loses optical clarity under exposure to ultraviolet (UV) irradiance, heat, and moisture. Stabilizers are often included in PET formulation to increase its longevity; however, even these are subject to degradation and further reduce optical clarity. To study the weathering induced changes in the optical properties in PET films, samples of a UV-stabilized grade of PET were exposed to heat, moisture, and UV irradiance as prescribed by ASTM-G154 Cycle 4 for 168 hour time intervals. UV-Vis reflection and transmission spectra were collected via Multi-Angle, Polarization-Dependent, Reflection, Transmission, and Scattering (MaPd:RTS) spectroscopy after each exposure interval. The resulting spectra were used to calculate the complex index of refraction throughout the UV-Vis spectral region via an iterative optimization process based upon the Fresnel equations. The index of refraction and extinction coefficient were found to vary throughout the UV-Vis region with time under exposure. The spectra were also used to investigate changes in light scattering behavior with increasing exposure time. The intensity of scattered light was found to increase at higher angles with time under exposure.

The effect of simulated low earth orbit radiation on polyimides (UV degradation study)

NASA Technical Reports Server (NTRS)

Forsythe, John S.; George, Graeme A.; Hill, David J. T.; Odonnell, James H.; Pomery, Peter J.; Rasoul, Firas A.

1995-01-01

UV degradation of polyimide films in air and vacuum were studied using UV-visible, ESR, FTIR, and XPS spectroscopies. The UV-visible spectra of polyimide films showed a blue shift in the absorption compared to Kapton. This behavior was attributed to the presence of bulky groups and kinks along the polymer chains which disrupt the formation of a charge transfer complex. The UV-visible spectra showed also that UV irradiation of polyimides result extensively in surface degradation, leaving the bulk of the polymer intact. ESR spectra of polyimides irradiated in vacuum revealed the formation of stable carbon-centered radicals which give a singlet ESR spectrum, while polyimides irradiated in air produced an asymmetric signal shifted to a lower magnetic field, with a higher g value and line width. This signal was attributed to oxygen-cenetered radicals of peroxy and/or alkoxy type. The rate of radical formation in air was two fold higher than for vacuum irradiation, and reached a plateau after a short time. This suggests a continuous depletion of radicals on the surface via an ablative degradation process. FTIR, XPS, and weight loss studies supported this postulate. An XPS study of the surface indicated a substantial increase in the surface oxidation after irradiation in air. The sharp increase in the C-O binding energy peak relative to the C-C peak was believed to be associated with an aromatic ring opening reaction.

Color tuning of photonic gel films by UV irradiation

NASA Astrophysics Data System (ADS)

Shin, Sung Eui; Kim, Su Young; Shin, Dong Myung

2010-02-01

Block copolymers have drawn increasing attention for fabricating functional nanomaterials due to their properties of self-assembly. In particular, photonic crystals hold promise for multiple optical applications. We prepared 1D photonic crystals with polystyrene-b-poly(2-vinyl pyridine) (PS-b-P2VP) lamellar films which is hydrophobic block-hydrophilic polyelectrolyte block polymer of 57 kg /mol-b-57 kg/mol. The lamellar stacks, which are alternating layers of hydrophilic and hydrophobic moiety of PS-b-P2VP, are obtained by exposing the spin coated film under chloroform vapor. The band gaps of the lamellar films interestingly varied after immersion into the quaternizing solvents containing 5wt% of iodomethane solubilized in n-hexane. We demonstrate about the influence of UV light on those photonic gel films. To study of different properties of films, UV-visible absorption spectra were measured as a different UV irradiation time at swollen films with distilled water. The UV-visible maximum absorption spectra shifted by UV irradiation time. Dependent on the time of UV irradiations, we can change the photonic band gap.

Ultraviolet electroluminescence from hybrid inorganic/organic ZnO/GaN/poly(3-hexylthiophene) dual heterojunctions.

PubMed

Chen, Yungting; Shih, Hanyu; Wang, Chunhsiung; Hsieh, Chunyi; Chen, Chihwei; Chen, Yangfang; Lin, Taiyuan

2011-05-09

Based on hybrid inorganic/organic n-ZnO nanorods/p-GaN thin film/poly(3-hexylthiophene)(P3HT) dual heterojunctions, the light emitting diode (LED) emits ultraviolet (UV) radiation (370 nm - 400 nm) and the whole visible light (400 nm -700 nm) at the low injection current density. Meanwhile, under the high injection current density, the UV radiation overwhelmingly dominates the room-temperature electroluminescence spectra, exponentially increases with the injection current density and possesses a narrow full width at half maximum less than 16 nm. Comparing electroluminescence with photoluminescence spectra, an enormously enhanced transition probability of the UV luminescence in the electroluminescence spectra was found. The P3HT layer plays an essential role in helping the UV emission from p-GaN material because of its hole-conductive characteristic as well as the band alignment with respect to p-GaN. With our new finding, the result shown here may pave a new route for the development of high brightness LEDs derived from hybrid inorganic/organic heterojuctions.

Tomographic separation of composite spectra. The components of Plaskett's Star

NASA Technical Reports Server (NTRS)

Bagnuolo, William G., Jr.; Gies, Douglas R.; Wiggs, Michael S.

1991-01-01

The UV photospheric lines of Plaskett's Star (HD 47129), a 14.4 day period, double lined O-type spectroscopic binary were analyzed. Archival data from IUE (17 spectra well distributed in orbital phase) were analyzed with several techniques. A cross correlation analysis, which showed that the secondary produces significant lines in the UV, indicates that the mass ratio is q = 1.18 + or - 0.12 (secondary slightly more massive). A tomography algorithm was used to produce the separate spectra of the two stars in six spectral regions. The interpolated spectral classifications of the primary and secondary, 07.3 I and 06.2 I, respectively, were estimated through a comparison of UV line ratios with those in spectral standard stars. The intensity ratio of the stars in the UV is 0.53 + or - 0.05 (primary brighter). The secondary lines appear rotationally broadened, and the projected rotational velocity V sin i for this star is estimated to be 310 + or - 20 km/s. The possible evolutionary history of this system is discussed through a comparison of the positions of the components and evolutionary tracks in the H-R diagram.

Examples for the importance of radiophysical measurements in clinical phototherapy.

PubMed

Schneider, Lars Alexander; Wlaschek, Meinhard; Dissemond, Joachim; Scharffetter-Kochanek, Karin

2007-05-01

Optimal UV therapy requires regular surveillance of the variables that influence therapeutic success. In daily practice, phototherapy equipment is often operated with an attitude of "autocontrol." This implies that thorough control measurements of the emission spectra and calibration of UV fluences are not routinely performed. For both quality control and patient safety, it is essential to regularly check whether a UV source is providing the right target spectrum with the correct dose to the skin. We have exemplarily taken three UV sources currently used in clinical practice and performed radiophysical measurements, i. e. determined emission spectra, radiation output and correctness of dose calculation. All three sources revealed either a largely inhomogeneous distribution pattern of radiation intensity, variation of radiation intensity over time or insufficient filtering of the UV lamp emission spectrum. Furthermore the dose calculation procedures had to be revised because of significant differences between the estimated and the administered UV doses. Radiophysical measurement of all UV-equipment in clinical use is a simple and effective way to improve the safety and reliability of phototherapy. Such measurements help to uncover technical flaws in radiation sources and prevent unnecessary side effects and UV exposure risks for the patient.

Stars and gas in the most metal-deficient galaxies in the Universe.

NASA Astrophysics Data System (ADS)

Wofford, Aida

2017-08-01

Improving our understanding of star formation at low metallicity is of large relevance for a variety of fields in astrophysics since it relates to multiple topical questions. These range from understanding the properties of galaxies that contributed to cosmic reionization to the evolution of metal poor massive stars that give rise to the formation of heavy binary black holes. Crucial are observational constraints for the theoretical predictions, which can be obtained from rest-frame UV spectra of local star-forming dwarf galaxies with ionized-gas oxygen abundances at the low-metallicity threshold of the nearby Universe.While samples of UV spectra exist for galaxies in the metallicity range above 1/20 solar, only two useful spectra covering from H I Lyman-alpha (LyA, 1216 Ang) to C III] 1909 are available at lower metallicites. We propose COS G140L observations of eight extremely-metal poor galaxies (XMPGs) with He II emission that will: i) provide three more spectra with 12+log(O/H)=<7.4 (suitable targets at such low Z are hard to find), and ii) leverage existing WFC3 and Chandra images which are useful for discrimintating among different sources of ionization. Combining this dataset with existing spectra at similar and higher metallicity will allow us to address three questions: 1) How does metallicity determine galaxy properties?, 2) Is narrow He II emission a good tracer of peculiar massive stars?, and 3) Can we probe star-formation at high redshift with UV lines other than LyA? Our study will provide valuable clues for interpreting rest-frame UV spectra of high-z galaxies that will challenge our understanding of star formation at low Z.

Synthesis characterization and catalytic action of hexagonal gold nanoparticles using essential oils extracted from Anacardium occidentale

NASA Astrophysics Data System (ADS)

Sheny, D. S.; Mathew, Joseph; Philip, Daizy

2012-11-01

A new phytochemical method for the synthesis of gold nanoparticles is reported. The essential oils extracted from the fresh leaves of Anacardium occidentale are used for the reduction of auric acid to Au nanoparticles (NPs). The formation and morphology of synthesized NPs are investigated with the help of UV-visible, TEM and FTIR spectroscopy. The NPs synthesized at room temperature are mono-dispersed and hexagonal in shape with an average size of 36 nm while those prepared at higher temperature are composed of a mixture of anisotropic particles. The UV-visible absorption spectra of these anisotropic NPs show asymmetry in the longer wavelength side. The quantity of oil is an important criterion modulating the shape of NPs. Possible biochemical mechanism leading to the formation of NPs is studied using FTIR spectroscopy. The potential of synthesized Au NPs as catalyst is explored for the hydrogenation of p-nitro phenol to p-amino phenol at room temperature.

Synthesis characterization and catalytic action of hexagonal gold nanoparticles using essential oils extracted from Anacardium occidentale.

PubMed

Sheny, D S; Mathew, Joseph; Philip, Daizy

2012-11-01

A new phytochemical method for the synthesis of gold nanoparticles is reported. The essential oils extracted from the fresh leaves of Anacardium occidentale are used for the reduction of auric acid to Au nanoparticles (NPs). The formation and morphology of synthesized NPs are investigated with the help of UV-visible, TEM and FTIR spectroscopy. The NPs synthesized at room temperature are mono-dispersed and hexagonal in shape with an average size of 36 nm while those prepared at higher temperature are composed of a mixture of anisotropic particles. The UV-visible absorption spectra of these anisotropic NPs show asymmetry in the longer wavelength side. The quantity of oil is an important criterion modulating the shape of NPs. Possible biochemical mechanism leading to the formation of NPs is studied using FTIR spectroscopy. The potential of synthesized Au NPs as catalyst is explored for the hydrogenation of p-nitro phenol to p-amino phenol at room temperature. Copyright © 2012 Elsevier B.V. All rights reserved.

Skylab-3 Mission Onboard Photograph - Astronaut Bean working on Experiment S019

NASA Technical Reports Server (NTRS)

1973-01-01

This Skylab-3 mission onboard photograph shows Astronaut Alan Bean operating the Ultraviolet (UV) Stellar Astronomy experiment (S019) in the Skylab Airlock Module. The S019, a camera with a prism for UV star photography, studied the UV spectra of early-type stars and galaxies.

Quantitative classification of cryptosporidium oocysts and giardia cysts in water using UV/vis spectroscopy

NASA Astrophysics Data System (ADS)

Bacon, Christina P.; Rose, J. B.; Patten, K.; Garcia-Rubio, Luis H.

1995-05-01

Cryptosporidium and Giardia are enteric protozoa which cause waterborne diseases. To date, the detection of these organisms in water has relied upon microscopic immunofluorescent assay technology which uses antibodies directed against the cyst and oocyst forms of the protozoa. In this paper, the uv/vis extinction spectra of aqueous dispersions of Cryptosporidium and Giardia have been studied to investigate the potential use of light scattering-spectral deconvolution techniques as a rapid method for the identification and quantification of protozoa in water. Examination of purified samples of Cryptosporidium and Giardia suggests that spectral features apparent in the short wavelength region of the uv/vis spectra contain information that may be species specific for each protozoa. The spectral characteristics, as well as the particle size analysis, determined from the same spectra, allow for the quantitative classification, identification, and possibly, the assessment of the viability of the protozoa. To further increase the sensitivity of this technique, specific antibodies direction against these organisms, labelled with FITC and rhodamine are being used. It is demonstrated that uv/vis spectroscopy provides an alternative method for the characterization of Giardia and Cryptosporidium. The simplicity and reproducibility of uv/vis spectroscopy measurements makes this technique ideally suited for the development of on-line instrumentation for the rapid detection of microorganisms in water supplies.

Copernicus ultraviolet observations of mass-loss effects in O and B stars

NASA Technical Reports Server (NTRS)

Snow, T. P., Jr.; Morton, D. C.

1976-01-01

Far-UV spectra of 47 O, B, and A stars obtained with the Copernicus satellite are examined for P Cygni profiles. For all 40 stars with displaced absorption lines, values are given for the velocities of the short-wavelength edge, the line center, and the emission peak (if present). Parts of the spectra of 42 stars are reproduced, evidence for mass motions in ground-based spectra is discussed, and the best available data are summarized on the wavelengths and oscillator strengths of most lines likely to show mass-loss effects in either visual or UV spectra. The main conclusions are that: (1) the far-UV transitions, especially resonance lines, show that mass flow is present over a much wider group of stars than revealed by visible data on subordinate lines; (2) most of the line shifts imply mass motion away from the stars; (3) mass flow occurs in all but one star brighter than a bolometric magnitude of -6.0; and (4) the observed terminal velocities generally exhibit no significant correlation with temperature, luminosity, gravity, rotational velocity, or line strength.

[Spectroscopic analysis of the interaction of ethanol and acid phosphatase from wheat germ].

PubMed

Xu, Dong-mei; Liu, Guang-shen; Wang, Li-ming; Liu, Wei-ping

2004-11-01

Conformational and activity changes of acid phosphatase from wheat germ in ethanol solutions of different concentrations were measured by fluorescence spectra and differential UV-absorption spectra. The effect of ethanol on kinetics of acid phosphatase was determined by using the double reciprocal plot. The results indicate the ethanol has a significant effect on the activity and conformation of acid phosphatase. The activity of acid phosphatase decreased linearly with increasing the concentration of ethanol. Differential UV-absorption spectra of the enzyme denatured in ethanol solutions showed two positive peaks at 213 and 234 nm, respectively. The peaks on the differential UV-absorption spectra suggested that the conformation of enzyme molecule changed from orderly structure to out-of-order crispation. The fluorescence emission peak intensity of the enzyme gradually strengthened with increasing ethanol concentration, which is in concordance with the conformational change of the microenvironments of tyrosine and tryptophan residues. The results indicate that the expression of the enzyme activity correlates with the stability and integrity of the enzyme conformation to a great degree. Ethanol is uncompetitive inhibitor of acid phosphatase.

Study on the interaction of a cyanine dye with human serum transferrin.

PubMed

Zhang, Xiu-feng; Chen, Lei; Yang, Qian-fan; Li, Qian; Sun, Xiao-ran; Chen, Hong-bo; Yang, Guang; Tang, Ya-lin

2015-12-01

Complexation between the primary carrier of ligands in blood plasma, human serum transferrin (Tf), and a cyanine dye, 3,3'-di(3-sulfopropyl)-4,5,4',5'-dibenzo-9-phenyl-thiacarbocyanine-triethylam monium salt (PTC) was investigated using fluorescence spectra, UV/Vis absorption spectra, synchronous fluorescence spectra, circular dichroism (CD) and molecular dynamic docking. The experimental results demonstrate that the formation of PTC-Tf complex is stabilized by van der Waal's interactions and hydrogen bonds, and the binding constants were found to be 8.55 × 10(6), 8.19 × 10(6) and 1.75 × 10(4) M(-1). Moreover, fluorescence experiments prove that the operational mechanism for the fluorescence quenching is static quenching and non-radiative energy transfer. Structural investigation of the PTC-Tf complexes via synchronous fluorescence spectra and CD showed that the structure of Tf became more stable with a major increase in the α-helix content and increased polarity around the tryptophan residues after PTC binding. In addition, molecular modeling highlights the residues located in the N-lobe, which retain high affinity for PTC. The mode of action of the PTC-Tf complex is illustrated by these results, and may provide an effective pathway for the transport and targeted delivery of antitumor agents. Copyright © 2015 John Wiley & Sons, Ltd.

Catalogue of UV sources in the Galaxy

NASA Astrophysics Data System (ADS)

Beitia-Antero, L.; Gómez de Castro, A. I.

2017-03-01

The Galaxy Evolution Explorer (GALEX) ultraviolet (UV) database contains the largest photometric catalogue in the ultraviolet range; as a result GALEX photometric bands, Near UV band (NUV) and the Far UV band (FUV), have become standards. Nevertheless, the GALEX catalogue does not include bright UV sources due to the high sensitivity of its detectors, neither sources in the Galactic plane. In order to extend the GALEX database for future UV missions, we have obtained synthetic FUV and NUV photometry using the database of UV spectra generated by the International Ultraviolet Explorer (IUE). This database contains 63,755 spectra in the low dispersion mode (λ / δ λ ˜ 300) obtained during its 18-year lifetime. For stellar sources in the IUE database, we have selected spectra with high Signal-To-NoiseRatio (SNR) and computed FUV and NUV magnitudes using the GALEX transmission curves along with the conversion equations between flux and magnitudes provided by the mission. Besides, we have performed variability tests to determine whether the sources were variable (during the IUE observations). As a result, we have generated two different catalogues: one for non-variable stars and another one for variable sources. The former contains FUV and NUV magnitudes, while the latter gives the basic information and the FUV magnitude for each observation. The consistency of the magnitudes has been tested using White Dwarfs contained in both GALEX and IUE samples. The catalogues are available through the Centre des Donées Stellaires. The sources are distributed throughout the whole sky, with a special coverage of the Galactic plane.

UV Raman spectroscopy of H2-air flames excited with a narrowband KrF laser

NASA Technical Reports Server (NTRS)

Shirley, John A.

1990-01-01

Raman spectra of H2 and H2O in flames excited by a narrowband KrF excimer laser are reported. Observations are made over a porous-plug, flat-flame burner reacting H2 in air, fuel-rich with nitrogen dilution to control the temperature, and with an H2 diffusion flame. Measurements made from UV Raman spectra show good agreement with measurements made by other means, both for gas temperature and relative major species concentrations. Laser-induced fluorescence interferences arising from OH and O2 are observed in emission near the Raman spectra. These interferences do not preclude Raman measurements, however.

Correlation fluorescence method of amine detection

NASA Astrophysics Data System (ADS)

Myslitsky, Valentin F.; Tkachuk, Svetlana S.; Rudeichuk, Volodimir M.; Strinadko, Miroslav T.; Slyotov, Mikhail M.; Strinadko, Marina M.

1997-12-01

The amines fluorescence spectra stimulated by UV laser radiation are investigated in this paper. The fluorescence is stimulated by the coherent laser beam with the wavelength 0.337 micrometers . At the sufficient energy of laser stimulation the narrow peaks of the fluorescence spectra are detected besides the wide maximum. The relationship between the fluorescence intensity and the concentration of amines solutions are investigated. The fluorescence intensity temporal dependence on wavelength 0.363 micrometers of the norepinephrine solution preliminarily radiated by UV laser with wavelength 0.337 micrometers was found. The computer stimulated and experimental investigations of adrenaline and norepinephrine mixtures fluorescence spectra were done. The correlation fluorescent method of amines detection is proposed.

Ultraviolet Spectroscopy of Supernovae: The First Two Years of Swift Observations

NASA Technical Reports Server (NTRS)

Immler, Stefan

2008-01-01

We present the entire sample of ultraviolet (1JV) spectra of supernovae (SNe) obtained with the Ultraviolet/Optical Telescope (UVOT) on board the Swift satellite during the first 2 years of observations (2005/2006). A total of 31 UV-grism and 22 V-grism spectra of 9 supernovae (SNe) have been collected. of which 6 are thermonuclear (type Ia) and 3 core collapse (type Ibc/II) SNe. All the spectra have been obtained during the photospheric phase. After a comparison of the spectra of our sample with those in the literature (SNe 1992A. 1990N and 1999em). we confirm some degree of diversity in the UV emission of Type Ia SNe and a greater homogeneity in the Type I1 Plateau SN sample. Signatures of interaction between the ejecta and the circumstellar environment have been found in the UV spectrum of SN 2006jc, the only SN Type Ib/c for which UVOT grism data are available. Currently, Swift LJVOT is the best suited instrument for early SN studies in the UV due to its fast response and flexible scheduling capabilities. However. in order to increase the quality of the data and significantly improve our understanding of the lJV properties of SNe and to fully maximize the scientific potential of UVOT grism observations. a larger investment in obsening time and longer exposures are needed.

Preparation and spectral properties of europium hydrogen squarate microcrystals

NASA Astrophysics Data System (ADS)

Kolev, T.; Danchova, N.; Shandurkov, D.; Gutzov, S.

2018-04-01

A simple scheme for preparation of europium hydrogen squarate octahydrate microcrystals, Eu(HSq)3·8H2O is demonstrated. The microcrystalline powders obtained have a potential application as non-centrosymmetric and UV radiation - protective hybrid optical material. The site-symmetry of the Eu - ion is C2V or lower, obtained from diffuse reflectance spectra. The formation of europium hydrogen squarate is supported by IR - spectroscopy, UV-vis spectroscopy, chemical analysis and X-ray diffraction. A detailed analysis of the UV-vis and IR spectra of the micropowders prepared is presented. The reaction between europium oxide and squaric acid leads to formation of microcrystalline plate-like crystals of europium hydrogen squarate Eu(HSq)3·8H2O, a non-centrosymmetric hybrid optical material with a potential application as UV radiation - protective coatings.

Fermi Level Control of Point Defects During Growth of Mg-Doped GaN

NASA Astrophysics Data System (ADS)

Bryan, Zachary; Hoffmann, Marc; Tweedie, James; Kirste, Ronny; Callsen, Gordon; Bryan, Isaac; Rice, Anthony; Bobea, Milena; Mita, Seiji; Xie, Jinqiao; Sitar, Zlatko; Collazo, Ramón

2013-05-01

In this study, Fermi level control of point defects during metalorganic chemical vapor deposition (MOCVD) of Mg-doped GaN has been demonstrated by above-bandgap illumination. Resistivity and photoluminescence (PL) measurements are used to investigate the Mg dopant activation of samples with Mg concentration of 2 × 1019 cm-3 grown with and without exposure to ultraviolet (UV) illumination. Samples grown under UV illumination have five orders of magnitude lower resistivity values compared with typical unannealed GaN:Mg samples. The PL spectra of samples grown with UV exposure are similar to the spectra of those grown without UV exposure that were subsequently annealed, indicating a different incorporation of compensating defects during growth. Based on PL and resistivity measurements we show that Fermi level control of point defects during growth of III-nitrides is feasible.

Tomographic separation of composite spectra. 2: The components of 29 UW Canis Majoris

NASA Technical Reports Server (NTRS)

Bagnuolo, William G., Jr.; Gies, Douglas R.; Hahula, Michael E.; Wiemker, Rafael; Wiggs, Michael S.

1994-01-01

We have analyzed the UV photospheric lines of 29 CMa, a 4.39 day period, double-lined O-type spectroscopic binary. Archival data from International Ultraviolet Explorer (IUE)(28 spectra well distributed in oribital phase) were analyzed with several techniques. We find that the mass ratio is q = 1.20 +/- 0.16 (secondary more massive) based on three independent arguments. A tomography algorithm was used to produce the separate spectra of the two stars in six UV spectral regions. The MK spectral classifications of the primary and secondary, O7.5-8 Iab and O9.7 Ib, respectively, were estimated through a comparison of UV line ratios with those in spectral standard stars. The flux ratio of the stars in the UV is 0.36 +/- 0.07 (primary brighter). The primary has a strong P Cygni NIV wavelength 1718 feature, indicating a strong stellar wind. We also present tomographic reconstructions of visual spectral data in the range 4300-4950 A, based on seven observations of differing orbital phases, which confirm the UV classifications, and show that the primary is an Of star. From the spectral classifications, we estimate the temperatures of the stars to be 33,750 K and 29,000 K for primary and secondary, respectively. We then fit visual and UV light curves and show that reasonably good fits can be obtained with these temperatures, a semicontact configuration, an inclination of 74 deg. +/- 2 deg., and an intensity ratio r is less than 0.5.

Computing UV/vis spectra using a combined molecular dynamics and quantum chemistry approach: bis-triazin-pyridine (BTP) ligands studied in solution.

PubMed

Höfener, Sebastian; Trumm, Michael; Koke, Carsten; Heuser, Johannes; Ekström, Ulf; Skerencak-Frech, Andrej; Schimmelpfennig, Bernd; Panak, Petra J

2016-03-21

We report a combined computational and experimental study to investigate the UV/vis spectra of 2,6-bis(5,6-dialkyl-1,2,4-triazin-3-yl)pyridine (BTP) ligands in solution. In order to study molecules in solution using theoretical methods, force-field parameters for the ligand-water interaction are adjusted to ab initio quantum chemical calculations. Based on these parameters, molecular dynamics (MD) simulations are carried out from which snapshots are extracted as input to quantum chemical excitation-energy calculations to obtain UV/vis spectra of BTP ligands in solution using time-dependent density functional theory (TDDFT) employing the Tamm-Dancoff approximation (TDA). The range-separated CAM-B3LYP functional is used to avoid large errors for charge-transfer states occurring in the electronic spectra. In order to study environment effects with theoretical methods, the frozen-density embedding scheme is applied. This computational procedure allows to obtain electronic spectra calculated at the (range-separated) DFT level of theory in solution, revealing solvatochromic shifts upon solvation of up to about 0.6 eV. Comparison to experimental data shows a significantly improved agreement compared to vacuum calculations and enables the analysis of relevant excitations for the line shape in solution.

Prediction of the association state of insulin using spectral parameters.

PubMed

Uversky, Vladimir N; Garriques, Liza Nielsen; Millett, Ian S; Frokjaer, Sven; Brange, Jens; Doniach, Sebastian; Fink, Anthony L

2003-04-01

Human insulin exists in different association states, from monomer to hexamer, depending on the conditions. In the presence of zinc the "normal" state is a hexamer. The structural properties of 20 variants of human insulin were studied by near-UV circular dichroism, fluorescence spectroscopy, and small-angle X-ray scattering (SAXS). The mutants showed different degrees of association (monomer, dimers, tetramers, and hexamers) at neutral pH. A correlation was shown between the accessibility of tyrosines to acrylamide quenching and the degree of association of the insulin mutants. The near-UV CD spectra of the insulins were affected by protein association and by mutation-induced structural perturbations. However, the shape and intensity of difference CD spectra, obtained by subtraction of the spectra measured in 20% acetic acid (where all insulin species were monomeric) from the corresponding spectra measured at neutral pH, correlate well with the degree of insulin association. In fact, the near-UV CD difference spectra for monomeric, dimeric, tetrameric, and hexameric insulin are very distinctive, both in terms of intensity and shape. The results show that the spectral properties of the insulins reflect their state of association, and can be used to predict their oligomeric state. Copyright 2003 Wiley-Liss, Inc. and the American Pharmaceutical Association J Pharm Sci 92:847-858, 2003

Pulsed UV laser-induced modifications in optical and structural characteristics of alpha-irradiated PM-355 SSNTD.

PubMed

Alghamdi, S S; Farooq, W A; Baig, M R; Algarawi, M S; Alrashidi, Talal Mohammed; Ali, Syed Mansoor; Alfaramawi, K

2017-10-01

Pre- and postalpha-exposed PM-355 detectors were irradiated using UV laser with different number of pulses (100, 150, 200, 300, and 400). UV laser beam energy of 20mJ per pulse with a pulse width of 9ns was incident on an area of 19.6mm 2 of the samples. XRD spectra indicated that for both reference and UV-irradiated samples, the structure is amorphous, but the crystallite size increases upon UV irradiation. The same results were obtained from SEM analysis. Optical properties of PM-355 polymeric solid-state nuclear track detectors were also investigated. Absorbance measurements for all PM-355 samples in the range of 200-400nm showed that the absorption edge had a blue shift up to a certain value, and then, it had an oscillating behavior. Photoluminescence spectra of PM-355 at 250nm revealed a decrease in the broadband peak intensity as a function of the number of UV pulses, while the wavelengths corresponding to the peaks had random shifts. Copyright © 2017 Elsevier Ltd. All rights reserved.

Structural Characterization of Laboratory Made Tholins by IRMPD Action Spectroscopy and Ultrahigh Resolution Mass Spectrometry

NASA Astrophysics Data System (ADS)

Thissen, R.; Somogyi, A.; Vuitton, V.; Bégué, D.; Lemaire, J.; Steinmetz, V.

2011-10-01

The complex organic material that is found on the surface and within the haze layer of Titan is attributed to chemistry occurring in its thick N2/CH4 atmosphere. Although several groups are producing in various laboratory setting the socalled tholins which have been investigated by using analytical methods including UV/Vis, fluorescence, IR, and MS1-5, these very complex organic mixtures still hold many unanswered questions, especially related to the potentiality for their prebiotic chemistry. In addition to tholins characterization and analysis, we recently investigated quantitatively the hydrolysis kinetics of tholins in pure and NH3 containing water at different temperatures.7-8 Our groups at UJF (Grenoble) and at U of Arizona (Tucson) have been collaborating on mass spectral analyses of tholins samples for several years.9 Here, we report our most recent results on the structural characterization of tholins by infrared multiphoton dissociation (IRMPD) action spectroscopy10 and ultrahigh resolution MS. IRMPD action spectroscopy is a recently developed technique that uses IR photons of variable wavelengths to activate ions trapped inside an ion trap. When photons are absorbed at a given wavelength, the selected ion fragments and this fragmentation is monitored as a function of wavelength, analog to an absorption spectrum (impossible to record otherwise because of the much reduced density). This technique can, therefore, be used to determine IR spectra of ions in the gas phase, and provides with very acute structural information. IRMPD action spectroscopy is often used to distinguish between structural isomers of isobaric ions. The drawback is that it requests for high power lasers. Only two Free Electron Lasers (FEL) are available in the world and allow to record spectra with reasonable resolution (20-25 cm-1). IRMPD action spectra of selected ions from tholins will be presented and discussed together with observed fragmentation processes that reveal structural features of the ions. We have studied ions in the mass range from 60 to 160 u, corresponding to particularly interesting species already characterized by other (e.g. tandem MS/MS) methods.

Mining the HST "Advanced Spectral Library (ASTRAL) - Hot Stars": The High Definition UV Spectrum of the Ap Star HR 465

NASA Astrophysics Data System (ADS)

Carpenter, Kenneth G.; Ayres, T. R.; Nielsen, K. E.; Kober, G. V.; Wahlgren, G. M.; Adelman, S. J.; Cowley, C. R.

2014-01-01

The "Advanced Spectral Library (ASTRAL) Project: Hot Stars" is a Hubble Space Telescope (HST) Cycle 21 Treasury Program (GO-13346: Ayres PI). It is designed to collect a definitive set of representative, high-resolution ( 30,000-100,000), high signal/noise (S/N>100), and full UV coverage 1200 - 3000 A) spectra of 21 early-type stars, utilizing the high-performance Space Telescope Imaging Spectrograph (STIS). The targets span the range of spectral types between early-O and early-A, including both main sequence and evolved stars, fast and slow rotators, as well as chemically peculiar (CP) and magnetic objects. These extremely high-quality STIS UV echelle spectra will be available from the HST archive and, in post-processed and merged form, at http://casa.colorado.edu ayres/ASTRAL/. The UV "atlases" produced by this program will enable investigations of a broad range of problems -- stellar, interstellar, and beyond -- for many years to come. We offer a first look at one of the earliest datasets to come out of this observing program, a "high definition" UV spectrum of the Ap star HR 465, which was chosen as a prototypical example of an A-type magnetic CP star. HR 465 has a global magnetic field of ~2200 Gauss. Earlier analyses of IUE spectra show strong iron-peak element lines, along with heavy elements such as Ga and Pt, while being deficient in the abundance of some ions of low atomic number, such as carbon. We demonstrate the high quality of the ASTRAL data and present the identification of spectral lines for a number of elements. By comparison of the observed spectra with calculated spectra, we also provide estimates of element abundances, emphasizing heavy elements, and place these measurements in the context of earlier results for this and other Ap stars.

UV-observations with a Brewer spectrophotometer at Hohenpeissenberg

NASA Technical Reports Server (NTRS)

Vandersee, Winfried; Koehler, U.

1994-01-01

Regular spectral UV-B measurements with a Brewer spectrophotometer have been performed at Hohenpeissenberg since 1990. Intercomparison of the Brewer instrument with other UV-B monitoring devices have shown agreement to within plus or minus 10 percent. Comparisons of UV-B spectra measured on fair weather days reveal the well known increasing influence of ozone on UV-B irradiance with decreasing wavelengths. The integral amplification factor the erythemal irradiance reaches values up to 2.8, which can be diminished by increasing turbidity. The influence of cirrus cloud on the UV-B is also shown.

Inactivation and mutation induction in Saccharomyces cerevisiae exposed to simulated sunlight: evaluation of action spectra.

PubMed

Schenk-Meuser, K; Pawlowsky, K; Kiefer, J

1992-07-15

The effectiveness of polychromatic light irradiation was investigated for haploid yeast cells. Inactivation and mutation induction were measured in both a RAD-wildtype strain and an excision-repair defective strain. The behaviour of vegetative "wet" cells was compared to that of dehydrated cells. The aim of the study was to assess the interaction of UVC with other wavelengths in cells of different states of humidity. The irradiation procedure was therefore carried out using a solar simulator either with full spectrum or with a UVC-blocking filter (modified sunlight) added. The results were analysed on the basis of separately determined action spectra. The summation of the efficiency of individual wavelengths was compared to the values obtained from polychromatic irradiation. It is shown that the effects caused by the whole-spectrum irradiation in wet cells can be predicted sufficiently from the calculation, while dried wildtype cells exhibit higher mutation rates. Thus it can be assumed that drying-specific damage leads to lethal and mutagenic lesions which are processed in different ways, causing a synergistic behaviour in mutation induction. Irradiation of vegetative cells with modified sunlight (UVC-) results in less inactivation and lower mutation rates than were calculated. From these results it can be concluded that this antagonistic behaviour is caused by the interaction of near-UV photoproducts.

Photocatalytic properties of Au-deposited mesoporous SiO{sub 2}–TiO{sub 2} photocatalyst under simultaneous irradiation of UV and visible light

DOE Office of Scientific and Technical Information (OSTI.GOV)

Okuno, T., E-mail: t093507@edu.imc.tut.ac.jp; Kawamura, G., E-mail: gokawamura@ee.tut.ac.jp; Muto, H., E-mail: muto@ee.tut.ac.jp

Mesoporous SiO{sub 2} templates deposited TiO{sub 2} nanocrystals are synthesized via a sol–gel route, and Au nanoparticles (NPs) are deposited in the tubular mesopores of the templates by a photodeposition method (Au/SiO{sub 2}–TiO{sub 2}). The photocatalytic characteristics of Au/SiO{sub 2}–TiO{sub 2} are discussed with the action spectra of photoreactions of 2-propanol and methylene blue. Photocatalytic activities of SiO{sub 2}–TiO{sub 2} under individual ultraviolet (UV) and visible (Vis) light illumination are enhanced by deposition of Au NPs. Furthermore, Au/SiO{sub 2}–TiO{sub 2} shows higher photocatalytic activities under simultaneous irradiation of UV and Vis light compared to the activity under individual UV andmore » Vis light irradiation. Since the photocatalytic activity under simultaneous irradiation is almost the same as the total activities under individual UV and Vis light irradiation, it is concluded that the electrons and the holes generated by lights of different wavelengths are efficiently used for photocatalysis without carrier recombination. - Graphical abstract: This graphic shows the possible charge behavior in Au/SiO{sub 2}–TiO{sub 2} under independent light irradiation of ultraviolet and visible light irradiation. Both reactions under independent UV and Vis light irradiation occurred in parallel when Au/SiO{sub 2}–TiO{sub 2} photocatalyst was illuminated UV and Vis light simultaneously, and then photocatalytic activity is improved by simultaneous irradiation. - Highlights: • Au nanoparticles were deposited in mesoporous SiO{sub 2}–TiO{sub 2} by a photodeposition method. • Photocatalytic activity under UV and Vis light was enhanced by deposition of Au. • Photocatalytic activity of Au/SiO{sub 2}–TiO{sub 2} was improved by simultaneous irradiation.« less

Cholesteric liquid crystals as sensor materials for bioequivalent UV-dosimetry

NASA Astrophysics Data System (ADS)

Lisetski, Longin N.; Vashchenko, O. V.; Panikarskaya, V. D.; Sidletskiy, O. T.; Terenetskaya, Irina P.

2003-12-01

Selective reflection spectra have been studied for cholesteric matrices doped with certain steroids of vitamin D group, and substantial effect of the dopants upon the helical pitch was noted. Under UV irradiation, shifts of selective reflection peaks were observed. It is argued that the effect studied can be used for monitoring of vitamin D formation reactions induced by UV irradiation, thus being a base of bioequivalent UV dosimetry.

Ultraviolet observations of clusters of Wolf-Rayet stars in the SBm3 galaxy NGC 4214 and Ultraviolet and optical observations of LINER's

NASA Technical Reports Server (NTRS)

Filippenko, Alexei V.

1992-01-01

The purpose of the grant was to obtain and analyze IUE (UV) and ground-based (optical) spectra of the central bar of NGC 4214, which contains several bright H II regions, in order to further explore the properties of the Wolf-Rayet stars in this galaxy. Several spatially distinct regions, with widely different equivalent widths of optical Wolf-Rayet lines, could be sampled by the large IUE entrance aperture. By using newly developed extraction techniques, the spectra of these H II regions could be isolated, and differences in their stellar populations would be systematically studied. Data were obtained with IUE in late February and early March, 1992. Some of the shifts were successful, but a few were not -- apparently the blind offset from the nearby star did not work equally well in all cases. Thus, the signal-to-noise ratio is somewhat lower than we had hoped. This necessitated a more careful extraction of the spectra of individual H II regions from the two-dimensional spectra. (A program that models the point spread function in the spatial direction was used to deblend the distinct H II regions.) The IUE data are currently being analyzed in conjunction with ground-based optical spectra. There appear to be obvious variations in the stellar population over angular scales of only a few arc seconds. The second part of the research performed under this grant was a continuation of a project that uses IUE (UV) and ground-based (optical) spectra to infer the physical conditions in Low-Ionization Nuclear Emission-Line Regions (LINER's). We have obtained spectra of a few key objects that cover a representative range in LINER continuum and emission-line properties. The overall goals are to (1) separate the emission into spatially distinct components, (2) establish whether the observed nuclear ultraviolet continua indicate sufficient photoionizing fluxes to account for the emission lines, (3) determine whether the nuclear emission can be explained by hot stars alone, (4) detect and measure the strengths of UV emission lines, and (5) search for systematic differences in the UV spectra of LINER's whose other properties differ in some respects.

Near ultraviolet spectroscopic studies of 2,4-diamino-6-piperidinopyrimidine-3-oxide (minoxidil) and 2,4-diamino-6-piperidinopyrimidine (desoxyminoxidil)

NASA Astrophysics Data System (ADS)

Thamann, Thomas J.

The near u.v. spectra of 2,4-diamino-6-piperidinopyrimidine (desoxyminoxidil) and 2,4-diamino-6-piperidinopyrimidine-3-oxide (minoxidil) can be viewed as perturbed pyrimidine spectra. The u.v. properties of pyrimidine and a series of aminopyrimidines, specifically 2,4,6-triaminopyrimidine, are examined to obtain u.v. spectral assignments for desoxyminoxidil and minoxidil. Minoxidil and its desoxy counterpart have C s symmetry, and all π → π* absorptions are allowed 1A' ← 1A' transitions. The two lowest energy π →- π* absorptions observed in minoxidil (262 nm, 292 nm) are tentatively assigned as very mild oxygen → pyrimidine ring charge-transfer transitions. Intensity decreases in protic solvents, and the results of simple Hückel molecular orbital calculations indicate that the 292 nm transition has more charge-transfer character than the 262 nm absorption. The protonated species of desoxyminoxidil and minoxidil have very similar u.v. spectra. This is due to the lack of oxygen-related charge transfer in protonated minoxidil, and the high probability that the positive charge resides in similar environments in the minoxidil and desoxyminoxidil molecular frameworks.

Newer views of the Moon: Comparing spectra from Clementine and the Moon Mineralogy Mapper

USGS Publications Warehouse

Kramer, G.Y.; Besse, S.; Nettles, J.; Combe, J.-P.; Clark, R.N.; Pieters, C.M.; Staid, M.; Malaret, E.; Boardman, J.; Green, R.O.; Head, J.W.; McCord, T.B.

2011-01-01

The Moon Mineralogy Mapper (M3) provided the first global hyperspectral data of the lunar surface in 85 bands from 460 to 2980 nm. The Clementine mission provided the first global multispectral maps the lunar surface in 11 spectral bands across the ultraviolet-visible (UV-VIS) and near-infrared (NIR). In an effort to understand how M3 improves our ability to analyze and interpret lunar data, we compare M3 spectra with those from Clementine's UV-VIS and NIR cameras. The Clementine mission provided the first global multispectral maps the lunar surface in 11 spectral bands across the UV-VIS and NIR. We have found that M3 reflectance values are lower across all wavelengths compared with albedos from both of Clementine's UV-VIS and NIR cameras. M3 spectra show the Moon to be redder, that is, have a steeper continuum slope, than indicated by Clementine. The 1 m absorption band depths may be comparable between the instruments, but Clementine data consistently exhibit shallower 2 m band depths than M 3. Absorption band minimums are difficult to compare due to the significantly different spectral resolutions. Copyright 2011 by the American Geophysical Union.

Newer views of the Moon: Comparing spectra from Clementineand the Moon Mineralogy Mapper

USGS Publications Warehouse

Georgiana Y. Kramer,; Sebastian Besse,; Nettles, Jeff; Jean-Philippe Combe,; Clark, Roger N.; Pieters, Carle M.; Matthew Staid,; Joseph Boardman,; Robert Green,; McCord, Thomas B.; Malaret, Erik; Head, James W.

2011-01-01

The Moon Mineralogy Mapper (M3) provided the first global hyperspectral data of the lunar surface in 85 bands from 460 to 2980 nm. The Clementine mission provided the first global multispectral maps the lunar surface in 11 spectral bands across the ultraviolet-visible (UV-VIS) and near-infrared (NIR). In an effort to understand how M3 improves our ability to analyze and interpret lunar data, we compare M3 spectra with those from Clementine's UV-VIS and NIR cameras. The Clementine mission provided the first global multispectral maps the lunar surface in 11 spectral bands across the UV-VIS and NIR. We have found that M3 reflectance values are lower across all wavelengths compared with albedos from both of Clementine's UV-VIS and NIR cameras. M3 spectra show the Moon to be redder, that is, have a steeper continuum slope, than indicated by Clementine. The 1 μm absorption band depths may be comparable between the instruments, but Clementine data consistently exhibit shallower 2 μm band depths than M3. Absorption band minimums are difficult to compare due to the significantly different spectral resolutions.

Study of interaction between ionic liquids and orange G in aqueous solution with UV-vis spectroscopy and conductivity meter.

PubMed

Zha, Jin-Ping; Zhu, Meng-Ting; Qin, Li; Wang, Xin-Hong

2018-05-05

The interactions between Orange G (OG) with three kinds of ionic liquid surfactants (C 10 mimBF 4 , C 12 mimBF 4 , C 16 mimBF 4 ) and CTAB were studied with UV-Vis spectra and conductivity measurements. The systematic changes in UV-Vis spectra with an increase of carbon-chain length may be observed in presence of OG. They correspond to CMC of every system, respectively, and the CMCs of four systems have exhibit the decrease of CMCs compared to pure surfactant. The binding constants are calculated from the results of conductivity measurements in the order of C 16 mimBF 4 >CTAB>C 12 mimBF 4 >C 10 mimBF 4 . Furthermore, system behaviors presented significant association of complex formation and micelles formation, i.e. the change in UV-Vis spectra before and after the formation of micelles in mixed systems. In addition, Fourier-transform infrared (FT-IR) spectroscopy and 1 H NMR analysis further confirmed that the complexes are formed by hydrogen bond and van der Waal force. These findings could provide scientific guidance for extraction and separation of dyes. Copyright © 2018 Elsevier B.V. All rights reserved.

Study of interaction between ionic liquids and orange G in aqueous solution with UV-vis spectroscopy and conductivity meter

NASA Astrophysics Data System (ADS)

Zha, Jin-Ping; Zhu, Meng-Ting; Qin, Li; Wang, Xin-Hong

2018-05-01

The interactions between Orange G (OG) with three kinds of ionic liquid surfactants (C10mimBF4, C12mimBF4, C16mimBF4) and CTAB were studied with UV-Vis spectra and conductivity measurements. The systematic changes in UV-Vis spectra with an increase of carbon-chain length may be observed in presence of OG. They correspond to CMC of every system, respectively, and the CMCs of four systems have exhibit the decrease of CMCs compared to pure surfactant. The binding constants are calculated from the results of conductivity measurements in the order of C16mimBF4 > CTAB > C12mimBF4 > C10mimBF4. Furthermore, system behaviors presented significant association of complex formation and micelles formation, i.e. the change in UV-Vis spectra before and after the formation of micelles in mixed systems. In addition, Fourier-transform infrared (FT-IR) spectroscopy and 1H NMR analysis further confirmed that the complexes are formed by hydrogen bond and van der Waal force. These findings could provide scientific guidance for extraction and separation of dyes.

Risk Assessment of Face Skin Exposure to UV Irradiance from Different Rotation Angle Ranges

PubMed Central

Wang, Fang; Gao, Qian; Deng, Yan; Chen, Rentong; Liu, Yang

2017-01-01

Ultraviolet (UV) is one of the environmental pathogenic factors causing skin damage. Aiming to assess the risk of face skin exposure to UV irradiance from different rotation angles, a rotating model was used to monitor the exposure of the skin on the face to UV irradiance, with skin damage action spectra used to determine the biologically effective UV irradiance (UVBEskin) and UVBEskin radiant exposure (HBEskin) causing skin damage. The results indicate that the UVBEskin is directly influenced by variations in rotation angles. A significant decrease of approximately 52.70% and 52.10% in UVBEskin was found when the cheek and nose measurement sites was rotated from 0° to 90°, while a decrease of approximately 62.70% was shown when the forehead measurement sites was rotated from an angle of 0° to 108°. When HBEskin was compared to the exposure limits (ELs; 30 J·m−2), the maximum relative risk ratios (RR) for cheek, nose, and forehead were found to be approximately 2.01, 2.40, and 2.90, respectively, which were all measured at a rotation angle of 0°. The maximal increase in the percentage of the average HBEskin for rotation angles of 60°, 120°, 180°, and 360° facing the sun to ELs were found to be approximately 62.10%, 52.72%, 43.43%, and 26.27% for the cheek; approximately 130.61%, 109.68%, 86.43%, and 50.06% for the nose; and approximately 178.61%, 159.19%, 134.38%, and 83.41% for the forehead, respectively. PMID:28587318

Risk Assessment of Face Skin Exposure to UV Irradiance from Different Rotation Angle Ranges.

PubMed

Wang, Fang; Gao, Qian; Deng, Yan; Chen, Rentong; Liu, Yang

2017-06-06

Ultraviolet (UV) is one of the environmental pathogenic factors causing skin damage. Aiming to assess the risk of face skin exposure to UV irradiance from different rotation angles, a rotating model was used to monitor the exposure of the skin on the face to UV irradiance, with skin damage action spectra used to determine the biologically effective UV irradiance (UVBE skin ) and UVBE skin radiant exposure (HBE skin ) causing skin damage. The results indicate that the UVBE skin is directly influenced by variations in rotation angles. A significant decrease of approximately 52.70% and 52.10% in UVBE skin was found when the cheek and nose measurement sites was rotated from 0° to 90°, while a decrease of approximately 62.70% was shown when the forehead measurement sites was rotated from an angle of 0° to 108°. When HBE skin was compared to the exposure limits (ELs; 30 J·m -2 ), the maximum relative risk ratios (RR) for cheek, nose, and forehead were found to be approximately 2.01, 2.40, and 2.90, respectively, which were all measured at a rotation angle of 0°. The maximal increase in the percentage of the average HBE skin for rotation angles of 60°, 120°, 180°, and 360° facing the sun to ELs were found to be approximately 62.10%, 52.72%, 43.43%, and 26.27% for the cheek; approximately 130.61%, 109.68%, 86.43%, and 50.06% for the nose; and approximately 178.61%, 159.19%, 134.38%, and 83.41% for the forehead, respectively.

Modifying the Standard Disk Model for the Ultraviolet Spectral Analysis of Disk-dominated Cataclysmic Variables. I. The Novalikes MV Lyrae, BZ Camelopardalis, and V592 Cassiopeiae.

PubMed

Godon, Patrick; Sion, Edward M; Balman, Şölen; Blair, William P

2017-09-01

The standard disk is often inadequate to model disk-dominated cataclysmic variables (CVs) and generates a spectrum that is bluer than the observed UV spectra. X-ray observations of these systems reveal an optically thin boundary layer (BL) expected to appear as an inner hole in the disk. Consequently, we truncate the inner disk. However, instead of removing the inner disk, we impose the no-shear boundary condition at the truncation radius, thereby lowering the disk temperature and generating a spectrum that better fits the UV data. With our modified disk, we analyze the archival UV spectra of three novalikes that cannot be fitted with standard disks. For the VY Scl systems MV Lyr and BZ Cam, we fit a hot inflated white dwarf (WD) with a cold modified disk ( [Formula: see text] ~ a few 10 -9 M ⊙ yr -1 ). For V592 Cas, the slightly modified disk ( [Formula: see text] ~ 6 × 10 -9 M ⊙ yr -1 ) completely dominates the UV. These results are consistent with Swift X-ray observations of these systems, revealing BLs merged with ADAF-like flows and/or hot coronae, where the advection of energy is likely launching an outflow and heating the WD, thereby explaining the high WD temperature in VY Scl systems. This is further supported by the fact that the X-ray hardness ratio increases with the shallowness of the UV slope in a small CV sample we examine. Furthermore, for 105 disk-dominated systems, the International Ultraviolet Explorer spectra UV slope decreases in the same order as the ratio of the X-ray flux to optical/UV flux: from SU UMa's, to U Gem's, Z Cam's, UX UMa's, and VY Scl's.

Simulating the UV Environment For the Synthesis of Prebiotic Molecules

NASA Astrophysics Data System (ADS)

Ranjan, S.; Sasselov, D.

2014-03-01

UV radiation plays a key role in the era of biogenesis. The young Sun was more UV-active than the modern Sun (Ribas et al. 2010), and the Earth lacked an ozone layer, implying a larger UV flux both on Earth, as well as on asteroids/comets. Ultraviolet radiation can help drive prebiotic molecule synthesis (e.g., Chyba et al. 1992; Powner et al. 2009) or destroy biologically important molecules (e.g., Johns et al. 1967). These effects are wavelength dependent: they are sensitive to ionzation, bond, and ro-vibrational transition energies of biologically relevant molecules and their precursors. When simulating the environment at biogenesis it is therefore important to ensure realistic levels of UV input, in both magnitude and spectral shape. Many laboratory simulations of biomolecule synthesis under prebiotic conditions to date have been done with atomic lamps (e.g., Powner et al. 2007). These lamps are safe, stable, and affordable UV sources, well-suited for initial studies. However, their emission spectra are a poor match to prebiotic conditions: low-pressure lamps are characterized by line emission, while higher-pressure lamps do not well-reproduce the spectrum of the young Sun. In this paper, we present spectra that are more realistic approximations to prebiotic conditions. Using published opacity lists and atmospheric models, we compute the attenuation of the flux from a young Sunanalog due to water, and from the present-day Sun due to a planetary atmosphere. We compare these spectra to those emitted by lamps used in studies today, and explore the potential biological implications of the differences. We conclude by discussing possibilities for better simulating the prebiotic UV environment in lab setups.

500 days of SN 2013dy: spectra and photometry from the ultraviolet to the infrared

NASA Astrophysics Data System (ADS)

Pan, Y.-C.; Foley, R. J.; Kromer, M.; Fox, O. D.; Zheng, W.; Challis, P.; Clubb, K. I.; Filippenko, A. V.; Folatelli, G.; Graham, M. L.; Hillebrandt, W.; Kirshner, R. P.; Lee, W. H.; Pakmor, R.; Patat, F.; Phillips, M. M.; Pignata, G.; Röpke, F.; Seitenzahl, I.; Silverman, J. M.; Simon, J. D.; Sternberg, A.; Stritzinger, M. D.; Taubenberger, S.; Vinko, J.; Wheeler, J. C.

2015-10-01

SN 2013dy is a Type Ia supernova (SN Ia) for which we have compiled an extraordinary data set spanning from 0.1 to ˜ 500 d after explosion. We present 10 epochs of ultraviolet (UV) through near-infrared (NIR) spectra with Hubble Space Telescope/Space Telescope Imaging Spectrograph, 47 epochs of optical spectra (15 of them having high resolution), and more than 500 photometric observations in the BVrRiIZYJH bands. SN 2013dy has a broad and slowly declining light curve (Δm15(B) = 0.92 mag), shallow Si II λ 6355 absorption, and a low velocity gradient. We detect strong C II in our earliest spectra, probing unburned progenitor material in the outermost layers of the SN ejecta, but this feature fades within a few days. The UV continuum of SN 2013dy, which is strongly affected by the metal abundance of the progenitor star, suggests that SN 2013dy had a relatively high-metallicity progenitor. Examining one of the largest single set of high-resolution spectra for an SN Ia, we find no evidence of variable absorption from circumstellar material. Combining our UV spectra, NIR photometry, and high-cadence optical photometry, we construct a bolometric light curve, showing that SN 2013dy had a maximum luminosity of 10.0^{+4.8}_{-3.8} × 10^{42} erg s-1. We compare the synthetic light curves and spectra of several models to SN 2013dy, finding that SN 2013dy is in good agreement with a solar-metallicity W7 model.

Jupiter Systems Data Analysis Program Galileo Multi-Spectral Analysis of the Galilean Satellites

NASA Technical Reports Server (NTRS)

Hendrix, Amanda; Carlson, Robert; Smythe, William

2002-01-01

Progress was made on this project at the University of Colorado, particularly concerning analysis of data of the galilean moons Io and Europa. The goal of the Io portion of this study is to incorporate Near Infrared Mapping Spectrometer (NIMS) measured sulfur dioxide (SO2) frost amounts into models used with Ultraviolet spectrometer (UVS) spectra, in order to better constrain SO2 gas amounts determined by the UVS. The overall goal of this portion of the study is to better understand the thickness and distribution of Io's SO2 atmosphere. The goal of the analysis of the Europa data is to better understand the source of the UV absorption feature centered near 280 rim which has been noted in disk-integrated spectra primarily on the trailing hemisphere. The NIMS data indicate asymmetric water ice bands on Europa, particularly over the trailing hemisphere, and especially concentrated in the visibly dark regions associated with chaotic terrain and lines. The UPS data, the first-ever disk-resolved UV spectra of Europa, shown that the UV absorber is likely concentrated in regions where the NIMS data show asymmetric water ice bands. The material that produces both spectral features is likely the same, and we use data from both wavelength regions to better understand this material, and whether it is endogenically or exogenically produced. This work is still in progress at JPL.

Ultraviolet spectra of extreme nearby star-forming regions - approaching a local reference sample for JWST

NASA Astrophysics Data System (ADS)

Senchyna, Peter; Stark, Daniel P.; Vidal-García, Alba; Chevallard, Jacopo; Charlot, Stéphane; Mainali, Ramesh; Jones, Tucker; Wofford, Aida; Feltre, Anna; Gutkin, Julia

2017-12-01

Nearby dwarf galaxies provide a unique laboratory in which to test stellar population models below Z⊙/2. Such tests are particularly important for interpreting the surprising high-ionization ultraviolet (UV) line emission detected at z > 6 in recent years. We present HST/COS UV spectra of 10 nearby metal-poor star-forming galaxies selected to show He II emission in SDSS optical spectra. The targets span nearly a dex in gas-phase oxygen abundance (7.8 < 12 + log O/H < 8.5) and present uniformly large specific star formation rates (sSFR ∼102 Gyr-1). The UV spectra confirm that metal-poor stellar populations can power extreme nebular emission in high-ionization UV lines, reaching C III] equivalent widths comparable to those seen in systems at z ∼ 6-7. Our data reveal a marked transition in UV spectral properties with decreasing metallicity, with systems below 12 + log O/H ≲ 8.0 (Z/Z⊙ ≲ 1/5) presenting minimal stellar wind features and prominent nebular emission in He II and C IV. This is consistent with nearly an order of magnitude increase in ionizing photon production beyond the He+-ionizing edge relative to H-ionizing flux as metallicity decreases below a fifth solar, well in excess of standard stellar population synthesis predictions. Our results suggest that often-neglected sources of energetic radiation such as stripped binary products and very massive O-stars produce a sharper change in the ionizing spectrum with decreasing metallicity than expected. Consequently, nebular emission in C IV and He II powered by these stars may provide useful metallicity constraints in the reionization era.

Solar UV Radiation and the Origin of Life On Earth

NASA Technical Reports Server (NTRS)

Heap, S. R.; Lanz, T.; Hubeny, I.; Gaidos, E.; Oegerle, William R. (Technical Monitor)

2002-01-01

We have embarked on a program aimed at understanding the atmosphere of the early Earth, because of its importance as a greenhouse, radiation shield and energy source for life. Here, we give a progress report on the first phase of this program to establish the UV radiation from the early Sun. We have obtained ultraviolet spectra (STIS, FUSE, EUVE) of carefully selected nearby, young solar-type stars, which act as surrogates for the early Sun We are making detailed non-LTE analyses of the spectra and constructing models of their photospheres + chromospheres. Once validated, these models will allow us to extrapolate our theoretical spectra to other metallicities and to unobserved spectral regions.

Skylab

NASA Image and Video Library

1970-01-01

This 1970 photograph shows Skylab's Ultraviolet (UV) Stellar Astronomy experiment, a scientific airlock-based facility/experiment that would study UV spectra of early-type stars and galaxies. The Marshall Space Flight Center had program management responsibility for the development of Skylab hardware and experiments.

The spectroscopic (FTIR, FT-Raman and UV-Vis spectra), DFT and normal coordinate computations of m-nitromethylbenzoate

NASA Astrophysics Data System (ADS)

Gnanasambandan, T.; Gunasekaran, S.; Seshadri, S.

2013-08-01

A combined experimental and theoretical study on molecular structure, vibrational spectra, NBO and UV-spectral analysis of m-nitromethylbenzoate (MNMB) has been reported in the present work. The FT-IR solid phase (4000-400 cm-1) and FT-Raman spectra (3500-100 cm-1) of MNMB was recorded. The molecular geometry, harmonic vibrational frequencies and bonding features of MNMB in the ground-state have been calculated by using the density functional method B3LYP with 6-31G (d,p) and 6-31+G(d,p) basis sets. The assignments of the vibrational spectra have been carried out with the help of normal co-ordinate analysis (NCA) following the Scaled Quantum Mechanical Force Field Methodology (SQMFF). Stability of the molecule arising from hyperconjugative interactions, charge delocalization has been analyzed using natural bond orbital (NBO) analysis. The results show that charge in electron density (ED) in the σ∗ antibonding orbitals and E(2) energies confirms the occurrence of ICT (Intra-molecular Charge Transfer) within the molecule. The UV spectrum was measured in ethyl acetate solution. The energy and oscillator strength calculated by Time-Dependent Density Functional Theory (TD-DFT) result complements the experimental findings. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. Finally the calculation results were applied to simulated infrared and Raman spectra of the title compound which show good agreement with observed spectra.

Stability study of PbSe semiconductor nanocrystals over concentration, size, atmosphere, and light exposure.

PubMed

Dai, Quanqin; Wang, Yingnan; Zhang, Yu; Li, Xinbi; Li, Ruowang; Zou, Bo; Seo, JaeTae; Wang, Yiding; Liu, Manhong; Yu, William W

2009-10-20

Infrared-emitting PbSe nanocrystals are of increasing interest in both fundamental research and technical application. However, the practical applications are greatly limited by their poor stability. In this work, absorption and photoluminescence spectra of PbSe nanocrystals were utilized to observe the stability of PbSe nanocrystals over several conventional factors, that is, particle concentration, particle size, temperature, light exposure, contacting atmosphere, and storage forms (solution or solid powder). Both absorption and luminescence spectra of PbSe nanocrystals exposed to air showed dependence on particle concentration, size, and light exposure, which caused large and quick blue-shifts in the optical spectra. This air-contacted instability arising from the destructive oxidation and subsequent collision-induced decomposition was kinetically dominated and differed from the traditional thought that smaller particles with lower concentrations shrank fast. The photoluminescence emission intensity of the PbSe nanocrystal solution under ultraviolet (UV) exposure in air increased first and then decreased slowly; without UV irradiation, the emission intensity monotonously decreased over time. However, if stored under nitrogen, no obvious changes in absorption and photoluminescence spectra of the PbSe nanocrystals were observed even under UV exposure or upon being heated up to 100 degrees C.

Single-photon cesium Rydberg excitation spectroscopy using 318.6-nm UV laser and room-temperature vapor cell.

PubMed

Wang, Jieying; Bai, Jiandong; He, Jun; Wang, Junmin

2017-09-18

We demonstrate a single-photon Rydberg excitation spectroscopy of cesium (Cs) atoms in a room-temperature vapor cell. Cs atoms are excited directly from 6S 1/2 ground state to nP 3/2 (n = 70 - 100) Rydberg states with a 318.6 nm ultraviolet (UV) laser, and Rydberg excitation spectra are obtained by transmission enhancement of a probe beam resonant to Cs 6S 1/2 , F = 4 - 6P 3/2 , F' = 5 transition as partial population on F = 4 ground state are transferred to Rydberg state. Analysis reveals that the observed spectra are velocity-selective spectroscopy of Rydberg state, from which the amplitude and linewidth influenced by lasers' Rabi frequency have been investigated. Fitting to energies of Cs nP 3/2 (n = 70 -100) states, the determined quantum defect is 3.56671(42). The demodulated spectra can also be employed as frequency references to stabilize the UV laser frequency to specific Cs Rydberg transition.

The HST/STIS Next Generation Spectral Library

NASA Technical Reports Server (NTRS)

Gregg, M. D.; Silva, D.; Rayner, J.; Worthey, G.; Valdes, F.; Pickles, A.; Rose, J.; Carney, B.; Vacca, W.

2006-01-01

During Cycles 10, 12, and 13, we obtained STIS G230LB, G430L, and G750L spectra of 378 bright stars covering a wide range in abundance, effective temperature, and luminosity. This HST/STIS Next Generation Spectral Library was scheduled to reach its goal of 600 targets by the end of Cycle 13 when STIS came to an untimely end. Even at 2/3 complete, the library significantly improves the sampling of stellar atmosphere parameter space compared to most other spectral libraries by including the near-UV and significant numbers of metal poor and super-solar abundance stars. Numerous calibration challenges have been encountered, some expected, some not; these arise from the use of the E1 aperture location, non-standard wavelength calibration, and, most significantly, the serious contamination of the near-UV spectra by red light. Maximizing the utility of the library depends directly on overcoming or at least minimizing these problems, especially correcting the UV spectra.

The spectra of the chemically peculiar stars

NASA Astrophysics Data System (ADS)

Hack, M.

The spectral properties of the chemically peculiar (CP) stars and the information which is obtainable from them are reviewed. The identification and classification of CP stars in the basis of their spectra is discussed with particular emphasis on the He-rich stars and CNO stars, and recent classification systems based on narrow-band photometry, low-resolution spectrometry or UV spectra are considered. Attention is given to continuum flux distributions, particularly the infrared excesses and UV deficiencies, and the stellar properties (effective temperature and gravity, line blocking, discontinuities, mass and radius) that may be derived from them, and to the magnetic field measurements and evidence for spotted element distributions that may be inferred from spectral surface composition analyses made using LTE model atmospheres are considered which involve both large sample of stars and individual stars, and statistical studies of rotation, magnetic braking and membership in binary systems and clusters are indicated. Finally, UV and X-ray evidence for chromospheres and coronas in some CP stars is noted.

Size determination of gold nanoparticles in silicate glasses by UV-Vis spectroscopy

NASA Astrophysics Data System (ADS)

Ali, Shahid; Khan, Younas; Iqbal, Yaseen; Hayat, Khizar; Ali, Muhammad

2017-01-01

A relatively easier and more accurate method for the determination of average size of metal nanoparticles/aggregates in silicate glasses based on ultraviolet visible (UV-Vis) spectra fitted with the Mie and Mie-Gans models was reported. Gold ions were diffused into sodalime silicate and borosilicate glasses by field-assisted solid-state ion-exchange technique using the same experimental parameters for both glasses. Transmission electron microscopy was performed to directly investigate the morphology and distribution of the dopant nanoparticles. UV-Vis spectra of the doped glasses showed broad surface plasmon resonance peaks in their fingerprint regions, i.e., at 525 and 500 nm for sodalime silicate and borosilicate glass matrices, respectively. These spectra were fitted with the Mie model for spherical nanoparticles and the Mie-Gans model for spheroidal nanoparticles. Although both the models were developed for colloidal nanoparticles, the size of the nanoparticles/aggregates calculated was accurate to within ˜10% in both the glass matrices in comparison to the size measured directly from the transmission electron microscope images.

Aprotic solvents effect on the UV-visible absorption spectra of bixin.

PubMed

Rahmalia, Winda; Fabre, Jean-François; Usman, Thamrin; Mouloungui, Zéphirin

2014-10-15

We describe here the effects of aprotic solvents on the spectroscopic characteristics of bixin. Bixin was dissolved in dimethyl sulfoxide, acetone, dichloromethane, ethyl acetate, chloroform, dimethyl carbonate, cyclohexane and hexane, separately, and its spectra in the resulting solutions were determined by UV-visible spectrophotometry at normal pressure and room temperature. We analyzed the effect of aprotic solvents on λmax according to Onsager cavity model and Hansen theory, and determined the approximate absorption coefficient with the Beer-Lambert law. We found that the UV-visible absorption spectra of bixin were found to be solvent dependent. The S0→S2 transition energy of bixin in solution was dependent principally on the refractive index of the solvents and the bixin-solvent dispersion interaction. There was a small influence of the solvents dielectric constant, permanent dipole interaction and hydrogen bonding occurred between bixin and solvents. The absorbance of bixin in various solvents, with the exception of hexane, increased linearly with concentration. Copyright © 2014 Elsevier B.V. All rights reserved.

Aprotic solvents effect on the UV-visible absorption spectra of bixin

NASA Astrophysics Data System (ADS)

Rahmalia, Winda; Fabre, Jean-François; Usman, Thamrin; Mouloungui, Zéphirin

2014-10-01

We describe here the effects of aprotic solvents on the spectroscopic characteristics of bixin. Bixin was dissolved in dimethyl sulfoxide, acetone, dichloromethane, ethyl acetate, chloroform, dimethyl carbonate, cyclohexane and hexane, separately, and its spectra in the resulting solutions were determined by UV-visible spectrophotometry at normal pressure and room temperature. We analyzed the effect of aprotic solvents on λmax according to Onsager cavity model and Hansen theory, and determined the approximate absorption coefficient with the Beer-Lambert law. We found that the UV-visible absorption spectra of bixin were found to be solvent dependent. The S0 → S2 transition energy of bixin in solution was dependent principally on the refractive index of the solvents and the bixin-solvent dispersion interaction. There was a small influence of the solvents dielectric constant, permanent dipole interaction and hydrogen bonding occurred between bixin and solvents. The absorbance of bixin in various solvents, with the exception of hexane, increased linearly with concentration.

Typical ultraviolet spectra in combination with diagnostic mass fragmentation analysis for the rapid and comprehensive profiling of chlorogenic acids in the buds of Lonicera macranthoides.

PubMed

Zhang, Shui-Han; Hu, Xin; Shi, Shu-Yun; Huang, Lu-Qi; Chen, Wei; Chen, Lin; Cai, Ping

2016-05-01

A major challenge of profiling chlorogenic acids (CGA) in natural products is to effectively detect unknown or minor isomeric compounds. Here, we developed an effective strategy, typical ultraviolet (UV) spectra in combination with diagnostic mass fragmentation analysis based on HPLC-DAD-QTOF-MS/MS, to comprehensively profile CGA in the buds of Lonicera macranthoides. First, three CGA UV patterns were obtained by UV spectra screening. Second, 13 types of CGA classified by molecular weights were found by thorough analysis of CGA peaks using high-resolution MS. Third, selected ion monitoring (SIM) was carried out for each type of CGA to avoid overlooking of minor ones. Fourth, MS/MS spectra of each CGA were investigated. Then 70 CGA were identified by matching their UV spectra, accurate mass signals and fragmentation patterns with standards or previously reported compounds, including six caffeoylquinic acids (CQA), six diCQA, one triCQA, three caffeoylshikimic acids (CSA), six diCSA, one triCSA, three p-coumaroylquinic acids (pCoQA), four p-coumaroylcaffeoylquinic acids (pCoCQA), four feruloylquinic acids (FQA), five methyl caffeoylquinates (MCQ), three ethyl caffeoylquinates (ECQ), three dimethoxycinnamoylquinic acids (DQA), six caffeoylferuloylquinic acids (CFQA), six methyl dicaffeoylquinates (MdiCQ), four FQA glycosides (FQAG), six MCQ glycosides (MCQG), and three ethyl dicaffeoylquinates (EdiCQ). Forty-five of them were discovered from Lonicera species for the first time, and it is noted that CGA profiles were investigated for the first time in L. macranthoides. Results indicated that the developed method was a useful approach to explore unknown and minor isomeric compounds from complex natural products.

The structural and spectroscopic investigation of 2-chloro-3-methylquinoline by DFT method and UV-Vis, NMR and vibrational spectral techniques combined with molecular docking analysis

NASA Astrophysics Data System (ADS)

Kose, Etem; Atac, Ahmet; Bardak, Fehmi

2018-07-01

This study comprises the structural and spectroscopic evaluation of a quinoline derivative, 2-chloro-3-methylquinoline (2Cl3MQ), via UV-Vis, 1H and 13C NMR, FT-IR and FT-Raman techniques experimentally, theoretically with DFT and TD-DFT quantum chemical calculations at B3LYP/6-311++G (d, p) level of theory, and investigation of the in silico pharmaceutical potent of 2Cl3MQ in comparison to 2ClnMQ (n = 3,4,7,8,9,10) substituted quinolines. The experimental measurements were recorded as follows; UV-vis spectra were obtained in the range of 200-400 nm in the water and ethanol solvents. 1H and 13C NMR spectra were recorded in CDCl3. Vibrational spectra were obtained in the region of 4000-400 cm-1 and 3500-10 cm-1 for FT-IR and FT-Raman spectra, respectively. Structural and spectroscopic features obtained through theoretical evaluations include: electrostatic features, atomic charges and molecular electrostatic potential surface, the frontier molecular orbital characteristics, the density of states and their overlapping nature, the electronic transition properties, thermodynamical and nonlinear optical characteristics, and predicted UV-Vis, 1H and 13C NMR, FT-IR and FT-Raman spectra. Ligand-enzyme interactions of 2ClnMQ (n = 3,4,7,8,9,10) substituted quinolines with Malate Synthase from Mycobacterium Tuberculosis (MtbMS) were investigated via molecular docking. The role of position of methyl substitution on the inhibitor character of the ligands was discussed on the basis of noncovalent interaction profiles.

A novel tridentate Schiff base dioxo-molybdenum(VI) complex: synthesis, experimental and theoretical studies on its crystal structure, FTIR, UV-visible, ¹H NMR and ¹³C NMR spectra.

PubMed

Saheb, Vahid; Sheikhshoaie, Iran; Stoeckli-Evans, Helen

2012-09-01

A new dioxo-molybdenum(VI) complex [MoO(2)(L)(H(2)O)] has been synthesized, using 5-methoxy 2-[(2-hydroxypropylimino)methyl]phenol as tridentate ONO donor Schiff base ligand (H(2)L) and MoO(2)(acac)(2). The yellow crystals of the compound are used for single-crystal X-ray analysis and measuring Fourier Transform Infrared (FTIR), UV-visible, (1)H NMR and (13)C NMR spectra. Electronic structure calculations at the B3LYP and PW91PW91 levels of theory are performed to optimize the molecular geometry and to calculate the UV-visible, FTIR, (1)H NMR and (13)C NMR spectra of the compound. Vibrational assignments and analysis of the fundamental modes of the compound are performed. Time-dependent density functional theory (TDDFT) method is used to calculate the electronic transitions of the complex. All theoretical methods can well reproduce the structure of the compound. The (1)H NMR shielding tensors computed at the B3LYP/DGDZVP level of theory is in agreement with experimental (1)H NMR spectra. However, the (13)C NMR shielding tensors computed at the B3LYP level, employing a combined basis set of DGDZVP for Mo and 6-31+G(2df,p) for other atoms, are in better agreement with experimental (13)C NMR spectra. The electronic transitions calculated at the B3LYP/DGDZVP level by using TD-DFT method is in accordance with the observed UV-visible spectrum of the compound. Copyright © 2012 Elsevier B.V. All rights reserved.

A Search for H I Lyα Counterparts to Ultrafast X-Ray Outflows

NASA Astrophysics Data System (ADS)

Kriss, Gerard A.; Lee, Julia C.; Danehkar, Ashkbiz

2018-06-01

Prompted by the H I Lyα absorption associated with the X-ray ultrafast outflow at ‑17,300 km s‑1 in the quasar PG 1211+143, we have searched archival UV spectra at the expected locations of H I Lyα absorption for a large sample of ultrafast outflows identified in XMM-Newton and Suzaku observations. Sixteen of the X-ray outflows have predicted H I Lyα wavelengths falling within the bandpass of spectra from either the Far Ultraviolet Spectroscopic Explorer or the Hubble Space Telescope, although none of the archival observations were simultaneous with the X-ray observations in which ultrafast X-ray outflows (UFOs) were detected. In our spectra broad features with FWHM of 1000 km s‑1 have 2σ upper limits on the H I column density of generally ≲2 × 1013 cm‑2. Using grids of photoionization models covering a broad range of spectral energy distributions (SEDs), we find that producing Fe XXVI Lyα X-ray absorption with equivalent widths >30 eV and associated H I Lyα absorption with {N}{{H}{{I}}}< 2× {10}13 {cm}}-2 requires total absorbing column densities {N}{{H}}> 5× {10}22 {cm}}-2 and ionization parameters log ξ ≳ 3.7. Nevertheless, a wide range of SEDs would predict observable H I Lyα absorption if ionization parameters are only slightly below peak ionization fractions for Fe XXV and Fe XXVI. The lack of Lyα features in the archival UV spectra indicates that the UFOs have very high ionization parameters, that they have very hard UV-ionizing spectra, or that they were not present at the time of the UV spectral observations owing to variability.

HUBBLE SPACE TELESCOPE AND GROUND-BASED OBSERVATIONS OF V455 ANDROMEDAE POST-OUTBURST

DOE Office of Scientific and Technical Information (OSTI.GOV)

Szkody, Paula; Mukadam, Anjum S.; Brown, Justin

2013-09-20

Hubble Space Telescope spectra obtained in 2010 and 2011, 3 and 4 yr after the large amplitude dwarf nova outburst of V455 And, were combined with optical photometry and spectra to study the cooling of the white dwarf, its spin, and possible pulsation periods after the outburst. The modeling of the ultraviolet (UV) spectra shows that the white dwarf temperature remains ∼600 K hotter than its quiescent value at 3 yr post-outburst, and still a few hundred degrees hotter at 4 yr post-outburst. The white dwarf spin at 67.6 s and its second harmonic at 33.8 s are visible inmore » the optical within a month of outburst and are obvious in the later UV observations in the shortest wavelength continuum and the UV emission lines, indicating an origin in high-temperature regions near the accretion curtains. The UV light curves folded on the spin period show a double-humped modulation consistent with two-pole accretion. The optical photometry 2 yr after outburst shows a group of frequencies present at shorter periods (250-263 s) than the periods ascribed to pulsation at quiescence, and these gradually shift toward the quiescent frequencies (300-360 s) as time progresses past outburst. The most surprising result is that the frequencies near this period in the UV data are only prominent in the emission lines, not the UV continuum, implying an origin away from the white dwarf photosphere. Thus, the connection of this group of periods with non-radial pulsations of the white dwarf remains elusive.« less

Estimation of nitrite in source-separated nitrified urine with UV spectrophotometry.

PubMed

Mašić, Alma; Santos, Ana T L; Etter, Bastian; Udert, Kai M; Villez, Kris

2015-11-15

Monitoring of nitrite is essential for an immediate response and prevention of irreversible failure of decentralized biological urine nitrification reactors. Although a few sensors are available for nitrite measurement, none of them are suitable for applications in which both nitrite and nitrate are present in very high concentrations. Such is the case in collected source-separated urine, stabilized by nitrification for long-term storage. Ultraviolet (UV) spectrophotometry in combination with chemometrics is a promising option for monitoring of nitrite. In this study, an immersible in situ UV sensor is investigated for the first time so to establish a relationship between UV absorbance spectra and nitrite concentrations in nitrified urine. The study focuses on the effects of suspended particles and saturation on the absorbance spectra and the chemometric model performance. Detailed analysis indicates that suspended particles in nitrified urine have a negligible effect on nitrite estimation, concluding that sample filtration is not necessary as pretreatment. In contrast, saturation due to very high concentrations affects the model performance severely, suggesting dilution as an essential sample preparation step. However, this can also be mitigated by simple removal of the saturated, lower end of the UV absorbance spectra, and extraction of information from the secondary, weaker nitrite absorbance peak. This approach allows for estimation of nitrite with a simple chemometric model and without sample dilution. These results are promising for a practical application of the UV sensor as an in situ nitrite measurement in a urine nitrification reactor given the exceptional quality of the nitrite estimates in comparison to previous studies. Copyright © 2015 Elsevier Ltd. All rights reserved.

Keto-enol tautomerism of (E)-2-[(3,4-dimethylphenylimino)methyl]-4-nitrophenol: Synthesis, X-ray, FT-IR, UV-Vis, NMR and quantum chemical characterizations

NASA Astrophysics Data System (ADS)

Özek Yıldırım, Arzu; Yıldırım, M. Hakkı; Albayrak Kaştaş, Çiǧdem

2017-01-01

(E)-2-((3,4-dimethylphenylimino)methyl)-4-nitrophenol, which is a new Schiff base compound, was synthesized and characterized by experimental and computational methods. Molecular geometry, harmonic oscillator model of aromaticity (HOMA) indices, intra- and inter-molecular interactions in the crystal structure were determined by using single crystal X-ray diffraction technique. The optimized structures, which are obtained by Gaussian and Slater type orbitals, were compared to experimental structures to determine how much correlation is found between the experimental and the calculated properties. Intramolecular and hyperconjugative interactions of bonds have been found by Natural Bond Orbital analysis. The experimental infrared spectrum of the compound has been analyzed in detail by the calculated infrared spectra and Potential Energy Distribution analysis. To find out about the correlation between the solvent polarity and the enol-keto equilibrium, experimental UV-Visible spectra of the compound were obtained in benzene, CHCl3, EtOH and DMSO solvents. In these solvents, the UV-Vis spectra and relaxed potential energy surface scan (PES) calculations have been performed to get more insight into the equilibrium dynamics. Solvent effects in UV-Vis and PES calculations have been taken into account by using Polarizable Continuum Modelling method. 1H and 13C NMR spectra of the compound (in DMSO) were analyzed. The computational study of nonlinear optical properties shows that the compound can be used for the development of nonlinear optical materials.

Composite Spectra of Broad Absorption Line Quasars in SDSS-III BOSS

NASA Astrophysics Data System (ADS)

Herbst, Hanna; Hamann, Fred; Paris, Isabelle; Capellupo, Daniel M.

2017-01-01

We present preliminary results from a study of broad absorption line (BAL) quasars in the SDSS-III BOSS survey. We’re particularly interested in BALs because they arise from quasar outflows, which may be a source of feedback to the host galaxy. We analyze median composite spectra for BOSS QSOs in the redshift range 2.1 to 3.4 sorted by the strength of the BAL absorption troughs, parameterized by the Balnicity Index (BI), to study trends in the emission and absorption properties of BAL quasars. The wavelength coverage and high number of quasars observed in the BOSS survey allow us to examine BALs in the Lyman forest. Our main preliminary results when sorting the quasars by BI are 1) doublet absorption lines such as P V 1128A show a 1:1 ratio across all BI, indicating large column densities at all BI. This suggests that weaker BAL troughs result from smaller covering fractions rather than lower column densities. 2) The He II emission line, which is a measure of the far-UV/near-UV hardness of the ionizing continuum, is weaker in the larger BI composite spectra, indicating a far-UV spectral softening correlated with BI. This is consistent with the radiatively-driven BAL outflows being helped by intrinsically weaker ionizing continuum shapes (e.g., Baskin, Laor, and Hamann 2013). We also find a trend for slightly redder continuum slopes in the larger BI composite spectra, suggesting that the slope differences in the near-UV are also intrinsic.

Intermediate type excitons in Schottky barriers of A3B6 layer semiconductors and UV photodetectors

NASA Astrophysics Data System (ADS)

Alekperov, O. Z.; Guseinov, N. M.; Nadjafov, A. I.

2006-09-01

Photoelectric and photovoltaic spectra of Schottky barrier (SB) structures of InSe, GaSe and GaS layered semiconductors (LS) are investigated at quantum energies from the band edge excitons of corresponding materials up to 6.5eV. Spectral dependences of photoconductivity (PC) of photo resistors and barrier structures are strongly different at the quantum energies corresponding to the intermediate type excitons (ITE) observed in these semiconductors. It was suggested that high UV photoconductivity of A3B6 LS is due to existence of high mobility light carriers in the depth of the band structure. It is shown that SB of semitransparent Au-InSe is high sensitive photo detector in UV region of spectra.

Extending the McDonald Observatory Serendipitous Survey of UV/Blue Asteroid Spectra

NASA Technical Reports Server (NTRS)

Vilas, Faith; Cochran, A. L.

1999-01-01

Moderate resolution asteroid spectra in the 350 - 650 nm spectral range acquired randomly over many years (Cochran and Vilas, Icarus v 127, 121, 1997) identified absorption features in spectra of some of the asteroids. A feature centered at 430 nm was identified in the spectra of some low-albedo asteroids (C class and subclass), similar to the feature identified by Vilas et al. (Icarus, v. 102, 225,1993) in other low-albedo asteroid spectra and attributed to a ferric iron spin-forbidden transition in iron alteration minerals such as jarosite. Features at 505 nm and 430 nm were identified in the spectrum of 4 Vesta. The 505-nm feature is highly diagnostic of the amount and form of calcium in pyroxenes. This suggested further research on the sharpness and spectral placement of this feature in the spectra of Vesta and Vestoids (e.g., Cochran and Vilas, Icarus v. 134, 207, 1998). In 1997 and 1998, additional UV/blue spectra were obtained at the 2.7-m Harlan J. Smith telescope with a facility cassegrain spectrograph. These included spectra of low-albedo asteroids, the R-class asteroid 349 Dembowska, and the M-class asteroid 135 Hertha. These spectra will be presented and identified features will be discussed.

The effect of stellar evolution uncertainties on the rest-frame ultraviolet stellar lines of C IV and He II in high-redshift Lyman-break galaxies

NASA Astrophysics Data System (ADS)

Eldridge, John J.; Stanway, Elizabeth R.

2012-01-01

Young, massive stars dominate the rest-frame ultraviolet (UV) spectra of star-forming galaxies. At high redshifts (z > 2), these rest-frame UV features are shifted into the observed-frame optical and a combination of gravitational lensing, deep spectroscopy and spectral stacking analysis allows the stellar population characteristics of these sources to be investigated. We use our stellar population synthesis code Binary Population and Spectral Synthesis (BPASS) to fit two strong rest-frame UV spectral features in published Lyman-break galaxy spectra, taking into account the effects of binary evolution on the stellar spectrum. In particular, we consider the effects of quasi-homogeneous evolution (arising from the rotational mixing of rapidly rotating stars), metallicity and the relative abundance of carbon and oxygen on the observed strengths of He IIλ1640 Å and C IVλ1548, 1551 Å spectral lines. We find that Lyman-break galaxy spectra at z ˜ 2-3 are best fitted with moderately sub-solar metallicities, and with a depleted carbon-to-oxygen ratio. We also find that the spectra of the lowest metallicity sources are best fitted with model spectra in which the He II emission line is boosted by the inclusion of the effect of massive stars being spun-up during binary mass transfer so these rapidly rotating stars experience quasi-homogeneous evolution.

Analysis of Gibbs monolayer adsorbed at the toluene/water interface by UV-visible partial internal reflection spectrometry.

PubMed

Moriya, Yoshio; Hasegawa, Takeshi; Okada, Tetsuo; Ogawa, Nobuaki; Kawai, Erika; Abe, Kosuke; Ogasawara, Masataka; Kato, Sumio; Nakata, Shinichi

2006-11-15

Gibbs monolayers of lipophilic tetraphenylporphyrinatomanganese(III) and hydrophilic diacid of meso-tetrakis(4-sulfonatopheny)porphyrin adsorbed at the liquid-liquid interface have been analyzed by UV-visible external reflection (ER) and partial internal reflection (PIR) spectra measured at different angles of incidence. The angle-dependent ER and PIR spectra over the Brewster angles (thetaERB and thetaIRB) have readily been measured at the toluene/water interface. As preliminarily expected in our previous study, the present study has first proved that the reflection-absorbance of UV-visible PIR spectra quantitatively agrees with the theoretical calculations for the Gibbs monolayer over thetaIRB. In addition, it has also been proved that the absorbance of the PIR spectra is greatly enhanced in comparison to that of the ATR spectra. The enhancement is caused by an optical effect in the monolayer sandwiched between two phases of toluene and water that have different but refractive indices close to each other. This optical enhancement requires an optically perfect contact between the phases, which is difficult to prepare for a solid-solid contact. At the liquid/liquid interface, however, an ideal optical contact is easily realized, which makes the enhancement as much as the theoretical expectation. The PIR spectrometry will be recognized to be a new high-sensitive analytical tool to study Gibbs monolayer at the liquid/liquid interface.

HST-COS Observations of AGNs. III. Spectral Constraints in the Lyman Continuum from Composite COS/G140L Data

NASA Astrophysics Data System (ADS)

Tilton, Evan M.; Stevans, Matthew L.; Shull, J. Michael; Danforth, Charles W.

2016-01-01

The rest-frame ultraviolet (UV) spectra of active galactic nuclei (AGNs) are important diagnostics of both accretion disk physics and their contribution to the metagalactic ionizing UV background. Though the mean AGN spectrum is well characterized with composite spectra at wavelengths greater than 912 Å, the shorter-wavelength extreme-UV (EUV) remains poorly studied. In this third paper in a series on the spectra of AGNs, we combine 11 new spectra taken with the Cosmic Origins Spectrograph on the Hubble Space Telescope with archival spectra to characterize the typical EUV spectral slope of AGNs from λrest ˜ 850 Å down to λrest ˜ 425 Å. Parameterizing this slope as a power law, we obtain Fν ∝ ν-0.72±0.26, but we also discuss the limitations and systematic uncertainties of this model. We identify broad emission features in this spectral region, including emission due to ions of O, Ne, Mg, and other species, and we limit the intrinsic He I 504 Å photoelectric absorption edge opacity to τHe I < 0.047. Based on observations made with the NASA/ESA Hubble Space Telescope, obtained from the data archive at the Space Telescope Science Institute. STScI is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS5-26555.

Line Identification of Atomic and Ionic Spectra of Holmium in the Near-UV. Part I. Spectrum of Ho I

NASA Astrophysics Data System (ADS)

Al-Labady, N.; Özdalgiç, B.; Er, A.; Güzelçimen, F.; Öztürk, I. K.; Kröger, S.; Kruzins, A.; Tamanis, M.; Ferber, R.; Başar, Gö.

2017-02-01

The Fourier Transform spectra of a Holmium hollow cathode discharge lamp have been investigated in the UV spectral range from 25,000 up to 31,530 cm-1 (317 to 400 nm). Two Ho spectra have been measured with neon and argon as buffer gases. Based on the intensity ratios from these two spectra, a distinction was made between atomic and ionic lines (ionic lines are discussed in an accompanying paper). Using the known Ho I energy levels, 71 lines could be classified as transitions of atomic Ho, 34 of which have not been published previously. Another 32 lines, which could not be classified, are listed in the literature and assigned as atomic Ho. An additional 370 spectral lines have been assigned to atomic Ho based on the signal-to-noise ratio in the two spectra measured under different discharge conditions, namely with buffer gases argon and neon, respectively. These 370 lines have not been previously listed in the literature.

Investigating the Implementation of ZnO Nanoparticles as a Tunable UV Detector for Different Skin Types

NASA Astrophysics Data System (ADS)

Mosayebi, Pegah; Dorranian, Davoud; Behzad, Kasra

A facile chemical reduction method was used to synthesize ZnO nanoparticles (NPs) in ethylene glycol solvent at two different calcination temperatures. As a result of variation in the calcination temperature, ZnO NPs with two different sizes were achieved. The NPs were investigated for their structural and optical characteristics using X-ray diffraction and ultraviolet (UV)-Vis spectroscopy. The synthesized ZnO NPs exhibited a hexagonal structure with sizes of 46 and 65nm. The synthesized NPs were then used to investigate dye photocatalytic behavior of products as a tunable UV detector for different skin types. The dye degradation and decolorization of methylene blue in the presence of ZnO NP, following UV radiation as a function of time, were studied at different pH levels. The optical absorption spectra were then taken every 15min for all samples. The UV-Vis spectroscopy spectra revealed that optical absorption of solution was decreased upon UV exposure as a function of time. Photocatalytic reaction indicated that the dye degradation and decolorization rate were accelerated with the increase of pH level. Therefore, a tunable UV detector for different skin types could be engineered by varying the pH level of solution to avoid human skin burning.

UV Raman imaging--a promising tool for astrobiology: comparative Raman studies with different excitation wavelengths on SNC Martian meteorites.

PubMed

Frosch, Torsten; Tarcea, Nicolae; Schmitt, Michael; Thiele, Hans; Langenhorst, Falko; Popp, Jürgen

2007-02-01

The great capabilities of UV Raman imaging have been demonstrated on the three Martian meteorites: Sayh al Uhaymir, Dar al Gani, and Zagami. Raman spectra without disturbing fluorescence and with high signal-to-noise-ratios and full of spectral features were derived. This result is of utmost importance for the development of powerful instruments for space missions. By point scanning the surfaces of the meteorite samples, it was possible for the first time to construct UV-Raman images out of the array of Raman spectra. Deep-UV Raman images are to the best of our knowledge presented for the first time. The images were used for a discussion of the chemical-mineralogical composition and texture of the meteorite surfaces. Comparative Raman studies applying visible and NIR Raman excitation wavelengths demonstrate a much better performance for UV Raman excitation. This comparative study of different Raman excitation wavelengths at the same sample spots was done by constructing a versatile, robust sample holder with a fixed micro-raster. The overall advantages of UV resonance Raman spectroscopy in terms of sensitivity and selectivity are demonstrated and discussed. Finally the application of this new technique for a UV Raman instrument for envisaged astrobiological focused space missions is suggested.

UV lines in spectra of planetary nebulae.

NASA Astrophysics Data System (ADS)

Milanova, Yu.; Kholtygin, A.

2008-12-01

The modern observations of planetary nebulae (PNe) are used to create a new catalogue of element abundances for galactic and extragalac- tic PNe. Some of these abundances, especially C ones, need to be refined. Using in the PNe's models the UV line intensities, planned to be obtained with a help of WSO-UV observatory let us to determine the precision element abundances.

Chemical composition and surfactant characteristics of marine foams investigated by means of UV-vis, FTIR and FTNIR spectroscopy.

PubMed

Mecozzi, Mauro; Pietroletti, Marco

2016-11-01

In this study, we collected the ultraviolet-visible (UV-vis), Fourier transform infrared (FTIR) and Fourier transform near-infrared (FTNIR) spectra of marine foams from different sites and foams produced by marine living organisms (i.e. algae and molluscs) to retrieve information about their molecular and structural composition. UV-vis spectra gave information concerning the lipid and pigment contents of foams. FTIR spectroscopy gave a more detailed qualitative information regarding carbohydrates, lipids and proteins in addition with information about the mineral contents of foams. FTNIR spectra confirmed the presence of carbohydrates, lipids and proteins in foams. Then, due to the higher content of structural information of FTIR spectroscopy with respect to FTNIR and UV-vis, we join the FTIR spectra of marine foams to those of humic substance from marine sediments and to the spectra of foams obtained by living organisms. We submitted this resulting FTIR spectral dataset to statistical multivariate methods to investigate specific aspects of foams such as structural similarity among foams and in addition, contributions from the organic matter of living organisms. Cluster analysis (CA) evidenced several cases (i.e. clusters) of marine foams having high structural similarity with foams from vegetal and animal samples and with humic substance extracted from sediments. These results suggested that all the living organisms of the marine environment can give contributions to the chemical composition of foams. Moreover, as CA also evidenced cases of structural differences within foam samples, we applied two-dimensional correlation analysis (2DCORR) to the FTIR spectra of marine foams to investigate the molecular characteristics which caused these structural differences. Asynchronous spectra of two-dimensional correlation analysis showed that the structural heterogeneity among foam samples depended reasonably on the presence and on the qualitative difference of electrostatic (hydrogen bonds) and nonpolar (van der Waals and π-π) interactions involving carbohydrate proteins and lipids present. The presence and relevance of these interactions agree with the supramolecular and surfactant characteristics of marine organic matter described in the scientific literature.

Star formation in infrared bright and infrared faint starburst interacting galaxies

NASA Technical Reports Server (NTRS)

Lamb, Susan A.; Bushouse, Howard A.; Towns, John W.

1990-01-01

Short wavelength IUE spectra of Arp 248b and UGC 8315N are combined with optical spectra and interpreted using a combination of spectrum synthesis and spectral diagnostics to place constraints on the massive star populations of the central regions of these galaxies and to deduce information about the star formation histories in the last 10(exp 8) years. The authors find that both galaxies have substantial fractions of their optical light coming from massive stars and that Arp 248b may be dominated in the UV by WR stars. The UV spectra are dominated by radiation from evolved massive stars and the authors place and age on the burst in Arp 248b of a few tens of millions of years.

UV Spectrophotometric Simultaneous Determination of Paracetamol and Ibuprofen in Combined Tablets by Derivative and Wavelet Transforms

PubMed Central

Hoang, Vu Dang; Ly, Dong Thi Ha; Tho, Nguyen Huu; Minh Thi Nguyen, Hue

2014-01-01

The application of first-order derivative and wavelet transforms to UV spectra and ratio spectra was proposed for the simultaneous determination of ibuprofen and paracetamol in their combined tablets. A new hybrid approach on the combined use of first-order derivative and wavelet transforms to spectra was also discussed. In this application, DWT (sym6 and haar), CWT (mexh), and FWT were optimized to give the highest spectral recoveries. Calibration graphs in the linear concentration ranges of ibuprofen (12–32 mg/L) and paracetamol (20–40 mg/L) were obtained by measuring the amplitudes of the transformed signals. Our proposed spectrophotometric methods were statistically compared to HPLC in terms of precision and accuracy. PMID:24949492

UV spectrophotometric simultaneous determination of paracetamol and ibuprofen in combined tablets by derivative and wavelet transforms.

PubMed

Hoang, Vu Dang; Ly, Dong Thi Ha; Tho, Nguyen Huu; Nguyen, Hue Minh Thi

2014-01-01

The application of first-order derivative and wavelet transforms to UV spectra and ratio spectra was proposed for the simultaneous determination of ibuprofen and paracetamol in their combined tablets. A new hybrid approach on the combined use of first-order derivative and wavelet transforms to spectra was also discussed. In this application, DWT (sym6 and haar), CWT (mexh), and FWT were optimized to give the highest spectral recoveries. Calibration graphs in the linear concentration ranges of ibuprofen (12-32 mg/L) and paracetamol (20-40 mg/L) were obtained by measuring the amplitudes of the transformed signals. Our proposed spectrophotometric methods were statistically compared to HPLC in terms of precision and accuracy.

VizieR Online Data Catalog: MUSCLES Treasury Survey. IV. M dwarf UV fluxes (Youngblood+, 2017)

NASA Astrophysics Data System (ADS)

Youngblood, A.; France, K.; Loyd, R. O. P.; Brown, A.; Mason, J. P.; Schneider, P. C.; Tilley, M. A.; Berta-Thompson, Z. K.; Buccino, A.; Froning, C. S.; Hawley, S. L.; Linsky, J.; Mauas, P. J. D.; Redfield, S.; Kowalski, A.; Miguel, Y.; Newton, E. R.; Rugheimer, S.; Segura, A.; Roberge, A.; Vieytes, M.

2018-02-01

We selected stars with HST UV spectra and ground-based optical spectra either obtained directly by us or available in the VLT/XSHOOTER or Keck/HIRES public archives. Several targets have spectroscopic data obtained with the Dual Imaging Spectrograph (DIS) on the ARC 3.5m telescope at Apache Point Observatory (APO), R~2500, or the REOSC echelle spectrograph on the 2.15m telescope at Complejo Astronomico El Leoncito (CASLEO), R~12000, within a day or two of the HST observations. We also gathered spectra of GJ1132, GJ1214, and Proxima Cen on the nights of 2016 March 7-9 using the MIKE echelle spectrograph on the Magellan Clay telescope. (2 data files).

Atlas of reflectance spectra of terrestrial, lunar and meteoritic powders and frosts from 92 to 1800 nm

NASA Technical Reports Server (NTRS)

Wagner, Jeffrey; Hapke, Bruce; Wells, Eddie

1987-01-01

The reflectance spectra of powdered samples of selected minerals, meteorites, lunar materials and frosts are presented as an aid in the interpretation of present and future remote sensing data of solar system objects. Spectra obtained in separate wavelength regions have been combined and normalized, yielding coverage from 92 to 1800 nm. Spectral features include reflectance maxima in the far UV region produced by valence-conduction interband transitions, and reflectance minima in the near UV, visible and near IR regions, produced by charge transfer and crystal field transitions. Specific maxima and minima are diagnostic of mineral type and composition; additionally, the minerals present in mixtures such as meteorites and lunar samples can be determined.

An ultraviolet and visible spectroscopic study of a pulsational cycle of RY Sagittarii

NASA Technical Reports Server (NTRS)

Clayton, Geoffrey C.; Lawson, W. A.; Cottrell, P. L.; Whitney, Barbara A.; Stanford, S. Adam; De Ruyter, Frank

1994-01-01

High-dispersion visible and ultraviolet spectra and UBVRI photometry, covering a complete pulsation of the R Coronae Borealis star RY Sgr, have been obtained. The UV spectra were the first high-dispersion data ever obtained for the star. Together these observations comprise the most complete data set covering an RCB star pulsation cycle. The cycle observed was somewhat anomalous as it was affected by a second 55 day pulsation period as well as the primary 38 day period. However, the visible spectra showed the typical line splitting and radial velocity variations which have been observed previously. The simultaneous UV spectra showed much smaller, and phase-shifted, velocity variations than those seen in the visible. No evidence was seen of shock-induced emission at Mg II. These observations provide some support for the models of pulsating hydrogen deficient stars developed by Saio & Wheeler.

A novel combined approach of diffuse reflectance UV-Vis-NIR spectroscopy and multivariate analysis for non-destructive examination of blue ballpoint pen inks in forensic application

NASA Astrophysics Data System (ADS)

Kumar, Raj; Sharma, Vishal

2017-03-01

The present research is focused on the analysis of writing inks using destructive UV-Vis spectroscopy (dissolution of ink by the solvent) and non-destructive diffuse reflectance UV-Vis-NIR spectroscopy along with Chemometrics. Fifty seven samples of blue ballpoint pen inks were analyzed under optimum conditions to determine the differences in spectral features of inks among same and different manufacturers. Normalization was performed on the spectroscopic data before chemometric analysis. Principal Component Analysis (PCA) and K-mean cluster analysis were used on the data to ascertain whether the blue ballpoint pen inks could be differentiated by their UV-Vis/UV-Vis NIR spectra. The discriminating power is calculated by qualitative analysis by the visual comparison of the spectra (absorbance peaks), produced by the destructive and non-destructive methods. In the latter two methods, the pairwise comparison is made by incorporating the clustering method. It is found that chemometric method provides better discriminating power (98.72% and 99.46%, in destructive and non-destructive, respectively) in comparison to the qualitative analysis (69.67%).

Measurements of W Erosion using UV Emission from DIII-D and CTH

NASA Astrophysics Data System (ADS)

Johnson, Curtis; Ennis, David; Loch, Stuart; Balance, Connor; Victor, Brian; Allen, Steve; Samuell, Cameron; Abrams, Tyler; Unterberg, Ezekial

2017-10-01

of Plasma Facing Components (PFCs) will play a critical role in establishing the performance of reactor-relevant fusion devices, particularly for tungsten (W) divertor targets. Erosion can be diagnosed from spectral line emission together with atomic coefficients representing the `ionizations per photon' (S/XB). Emission from W I is most intense in the UV region. Thus, UV survey spectrometers (200-400 nm) are used to diagnose W PFCs erosion in the DIII-D divertor and from a W tipped probe in the CTH experiment. Nineteen W emission lines in the UV region are identified between the two experiments, allowing for multiple S/XB erosion measurements. Initial W erosion measurements are compared to erosion using the 400.9 nm W I line. Complete UV spectra will be presented and compared to synthetic spectra for varying plasma conditions. Analysis of the metastable states impact on the S/XB will be presented as well as possible electron temperature and density diagnosis from W I line ratios. Work supported by USDOE Grants DE-SC0015877 & DE-FC02-04ER54698.

Pre-oxidation of low-density polyethylene (LDPE) by ultraviolet light (UV) promotes enhanced degradation of LDPE in soil.

PubMed

Tribedi, Prosun; Dey, Samrat

2017-11-09

Polyethylene represents nearly 64% of all the synthetic plastics produced and are mainly used for domestic and industrial applications. Their extensive use poses a serious environmental threat because of their non-biodegradable nature. Among all the polyethylene remediation strategies, in situ bioremediation happens to be the safest and efficient one. In the current study, efforts had been given to compare the extent of LDPE degradation under UV-treated and UV-untreated conditions by soil microcosm. Landfill soil was collected and UV-treated and UV-untreated LDPE were added separately to the soil following incubation under similar conditions. Electron microscopic images as well as the weight loss and the tensile strength results clearly revealed that UV-treated LDPE showed better degradation than the non-treated ones in soil. To elucidate the mechanism of this enhanced biodegradation, the bond spectra of differentially treated LDPE were analyzed by FTIR. The results obtained from bond spectra studies revealed that UV treatment increases both carbonyl and terminal double-bond index of the LDPE, thereby making it highly susceptible for microbial degradation. Moreover, incubation of UV-treated LDPE with soil favors better adherence of metabolically active and significantly higher number of microorganisms on it. Taken together, all these results demonstrate the higher microbial association and their better metabolic potential to the UV-treated LDPE that lead to enhanced degradation of the LDPE by the soil microorganisms.

Optical-to-UV correlations and particle fluxes for M dwarf exoplanet host stars

NASA Astrophysics Data System (ADS)

Youngblood, Allison

2017-01-01

UV stellar radiation can significantly impact planetary atmospheres through heating and photochemistry, even regulating production of potential biomarkers. M dwarfs emit the majority of their UV radiation in the form of emission lines, and the incident UV radiation on habitable-zone planets is significant owing to their small orbital radii. Only recently have the UV spectral energy distributions (SEDs) of average M dwarfs been explored (e.g., the MUSCLES Treasury Survey). Emission lines tracing hot plasma in the stellar chromosphere and transition region dominate the far-UV spectra, even for optically inactive M dwarfs (i.e., those displaying Hα absorption spectra). Lyα (1216 Å) is the strongest of the UV emission lines, but resonant scattering from the interstellar medium makes direct observations of the intrinsic Lyα emission of even nearby stars challenging. I reconstruct the intrinsic Lyα profiles using an MCMC technique and use them to estimate the extreme-UV SED.Monitoring the long-term (years-to-decades) UV activity of M dwarfs will be important for assessing the potential habitability of short-period planets, but will only be feasible from the ground via optical proxies. Therefore, I also quantify correlations between UV and optical emission lines of the MUSCLES stars and other M dwarfs, for use when direct UV observations of M dwarf exoplanet host stars are not available. Recent habitability studies of M dwarf exoplanets have sought to address the impact of frequent flaring and are just beginning to include the damaging impact of stellar energetic particles that are typically associated with large flares. Working under the necessary assumption of solar-like particle production, I present a new technique for estimating >10 MeV proton flux during far-UV flares, and analyze a sample of the flares observed in the MUSCLES Treasury Survey.

Ultraviolet and visible light spectrophotometric approach to blood typing: objective analysis by agglutination index.

PubMed

Narayanan, S; Orton, S; Leparc, G F; Garcia-Rubio, L H; Potter, R L

1999-10-01

A new blood typing technology based on ultraviolet (UV) and visible light spectroscopy (UV/visible spectroscopy) has been developed. Blood groups and types are determined by quantifying reproducible changes in the UV and visible light spectra of blood in the presence of agglutinating antibodies. Samples of red cells in the presence and absence of agglutinating antibodies were examined by UV/visible spectroscopy. Blood groups and types were determined by comparing the optical density spectra obtained between 665 and 1000 nm. These comparisons generate numbers (agglutination index) ranging from 0 to 100, with smaller numbers corresponding to lack of agglutination and larger numbers corresponding to agglutination. The optical density of agglutinated blood is dramatically different from that of unagglutinated blood. The agglutination index derived from the relative slopes of the spectra is an objective indicator of agglutination strength. An agglutination index greater than 17 consistently and accurately established blood group- and type-specific agglutination. The method accurately predicted A, B, and O blood groups, and D type in over 275 samples. Scattering theory-based calculations of relative volumes of red cells before and after agglutination show a direct correlation with the agglutination index and provide the theoretical basis of the analysis. This quantitative technique is reproducible and has the potential for automation.

A new tridentate Schiff base Cu(II) complex: synthesis, experimental and theoretical studies on its crystal structure, FT-IR and UV-Visible spectra.

PubMed

Saheb, Vahid; Sheikhshoaie, Iran; Setoodeh, Nasim; Rudbari, Hadi Amiri; Bruno, Giuseppe

2013-06-01

A new Cu(II) complex [Cu(L)(NCS)] has been synthesized, using 1-(N-salicylideneimino)-2-(N,N-methyl)-aminoethane as tridentate ONN donor Schiff base ligand (HL). The dark green crystals of the compound are used for single-crystal X-ray analysis and measuring Fourier Transform Infrared (FT-IR) and UV-Visible spectra. Electronic structure calculations at the B3LYP and MP2 levels of theory are performed to optimize the molecular geometry and to calculate the UV-Visible and FT-IR spectra of the compound. Vibrational assignments and analysis of the fundamental modes of the compound are performed. Time-dependent density functional theory (TD-DFT) method is used to calculate the electronic transitions of the complex. A scaling factor of 1.015 is obtained for vibrational frequencies computed at the B3LYP level using basis sets 6-311G(d,p). It is found that solvent has a profound effect on the electronic absorption spectrum. The UV-Visible spectrum of the complex recorded in DMSO and DMF solution can be correctly predicted by a model in which DMSO and DMF molecules are coordinated to the central Cu atom via their oxygen atoms. Copyright © 2013 Elsevier B.V. All rights reserved.

Quantitative analysis by UV-Vis absorption spectroscopy of amino groups attached to the surface of carbon-based nanoparticles

NASA Astrophysics Data System (ADS)

Saraswati, T. E.; Astuti, A. R.; Rismana, N.

2018-03-01

Carbon-based nanoparticles must be modified due to their wide array of applications, especially when they are used as biomaterials. After modifying, quantitative analysis of the functional group is essential to evaluate a number of the available functional groups applied for further functionalization. In this study, we modified the carbon-based nanoparticles by amino group using submerged arc discharge in different liquids. The attached amino groups were then characterised and quantified by UV-Vis spectroscopy. This amino group functionalization was also confirmed by Fourier transform infrared (FTIR) spectra. The FTIR spectra of amine-modified nanoparticles show the definitive absorption peaks of N—H amine, C—H, C=O, C—N and Fe—O at 3418.97; 3000–2850 1700–1600 1400–1100 and 480-550 cm-1, respectively. The amine groups have different performance signals between the amine-modified and unmodified nanoparticles. The FTIR spectra results were correlated with the UV-Vis absorption spectroscopy method using acidic methyl orange. The UV-Vis absorption spectroscopy shows that the absorbance of methyl orange represented to amino groups number was 1.3 times higher when the pH of the solution was increased. The absorbance intensity was then used to estimate the quantity of amine groups attached.

The color of complexes and UV-vis spectroscopy as an analytical tool of Alfred Werner's group at the University of Zurich.

PubMed

Fox, Thomas; Berke, Heinz

2014-01-01

Two PhD theses (Alexander Gordienko, 1912; Johannes Angerstein, 1914) and a dissertation in partial fulfillment of a PhD thesis (H. S. French, Zurich, 1914) are reviewed that deal with hitherto unpublished UV-vis spectroscopy work of coordination compounds in the group of Alfred Werner. The method of measurement of UV-vis spectra at Alfred Werner's time is described in detail. Examples of spectra of complexes are given, which were partly interpreted in terms of structure (cis ↔ trans configuration, counting number of bands for structural relationships, and shift of general spectral features by consecutive replacement of ligands). A more complete interpretation of spectra was hampered at Alfred Werner's time by the lack of a light absorption theory and a correct theory of electron excitation, and the lack of a ligand field theory for coordination compounds. The experimentally difficult data acquisitions and the difficult spectral interpretations might have been reasons why this method did not experience a breakthrough in Alfred Werner's group to play a more prominent role as an important analytical method. Nevertheless the application of UV-vis spectroscopy on coordination compounds was unique and novel, and witnesses Alfred Werner's great aptitude and keenness to always try and go beyond conventional practice.

The O VI Mystery: Mismatch between X-Ray and UV Column Densities

NASA Astrophysics Data System (ADS)

Mathur, S.; Nicastro, F.; Gupta, A.; Krongold, Y.; McLaughlin, B. M.; Brickhouse, N.; Pradhan, A.

2017-12-01

The UV spectra of Galactic and extragalactic sightlines often show O VI absorption lines at a range of redshifts, and from a variety of sources from the Galactic circumgalactic medium to active galactic nuclei (AGN) outflows. Inner shell O VI absorption is also observed in X-ray spectra (at λ =22.03 Å), but the column density inferred from the X-ray line was consistently larger than that from the UV line. Here we present a solution to this discrepancy for the z = 0 systems. The O II Kβ line {}4{S}0\\to {(}3D)3{p}4P at 562.40 eV (≡22.04 Å) is blended with the O VI Kα line in X-ray spectra. We estimate the strength of this O II line in two different ways, and show that in most cases the O II line accounts for the entire blended line. The small amount of O VI equivalent width present in some cases has column density entirely consistent with the UV value. This solution to the O VI discrepancy, however, does not apply to high column-density systems like AGN outflows. We discuss other possible causes to explain their UV/X-ray mismatch. The O VI and O II lines will be resolved by gratings on board the proposed mission Arcus and the concept mission Lynx, and would allow the detection of weak O VI lines not just at z = 0, but also at higher redshift.

Simultaneous Determination of Octinoxate, Oxybenzone, and Octocrylene in a Sunscreen Formulation Using Validated Spectrophotometric and Chemometric Methods.

PubMed

Abdel-Ghany, Maha F; Abdel-Aziz, Omar; Ayad, Miriam F; Mikawy, Neven N

2015-01-01

Accurate, reliable, and sensitive spectrophotometric and chemometric methods were developed for simultaneous determination of octinoxate (OMC), oxybenzone (OXY), and octocrylene (OCR) in a sunscreen formulation without prior separation steps, including derivative ratio spectra zero crossing (DRSZ), double divisor ratio spectra derivative (DDRD), mean centering ratio spectra (MCR), and partial least squares (PLS-2). With the DRSZ technique, the UV filters could be determined in the ranges of 0.5-13.0, 0.3-9.0, and 0.5-9.0 μg/mL at 265.2, 246.6, and 261.8 nm, respectively. By utilizing the DDRD technique, UV filters could be determined in the above ranges at 237.8, 241.0, and 254.2 nm, respectively. With the MCR technique, the UV filters could be determined in the above ranges at 381.7, 383.2, and 355.6 nm, respectively. The PLS-2 technique successfully quantified the examined UV filters in the ranges of 0.5-9.3, 0.3-7.1, and 0.5-6.9 μg/mL, respectively. All the methods were validated according to the International Conference on Harmonization guidelines and successfully applied to determine the UV filters in pure form, laboratory-prepared mixtures, and a sunscreen formulation. The obtained results were statistically compared with reference and reported methods of analysis for OXY, OMC, and OCR, and there were no significant differences with respect to accuracy and precision of the adopted techniques.

Detrimental Effects of UV-B Radiation in a Xeroderma Pigmentosum-Variant Cell Line

PubMed Central

Herman, Kimberly N.; Toffton, Shannon; McCulloch, Scott D.

2014-01-01

DNA polymerase η (pol η), of the Y-family, is well known for its in vitro DNA lesion bypass ability. The most well-characterized lesion bypassed by this polymerase is the cyclobutane pyrimidine dimer (CPD) caused by ultraviolet (UV) light. Historically, cellular and whole-animal models for this area of research have been conducted using UV-C (λ = 100–280 nm) owing to its ability to generate large quantities of CPDs and also the more structurally distorting 6-4 photoproduct. Although UV-C is useful as a laboratory tool, exposure to these wavelengths is generally very low owing to being filtered by stratospheric ozone. We are interested in the more environmentally relevant wavelength range of UV-B (λ = 280–315 nm) for its role in causing cytotoxicity and mutagenesis. We evaluated these endpoints in both a normal human fibroblast control line and a Xeroderma pigmentosum variant cell line in which the POLH gene contains a truncating point mutation, leading to a nonfunctional polymerase. We demonstrate that UV-B has similar but less striking effects compared to UV-C in both its cytotoxic and its mutagenic effects. Analysis of the mutation spectra after a single dose of UV-B shows that a majority of mutations can be attributed to mutagenic bypass of dipyrimidine sequences. However, we do note additional types of mutations with UV-B that are not previously reported after UV-C exposure. We speculate that these differences are attributed to a change in the spectra of photoproduct lesions rather than other lesions caused by oxidative stress. PMID:24549972

New Fe i Level Energies and Line Identifications from Stellar Spectra. II. Initial Results from New Ultraviolet Spectra of Metal-poor Stars

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peterson, Ruth C.; Kurucz, Robert L.; Ayres, Thomas R., E-mail: peterson@ucolick.org

2017-04-01

The Fe i spectrum is critical to many areas of astrophysics, yet many of the high-lying levels remain uncharacterized. To remedy this deficiency, Peterson and Kurucz identified Fe i lines in archival ultraviolet and optical spectra of metal-poor stars, whose warm temperatures favor moderate Fe i excitation. Sixty-five new levels were recovered, with 1500 detectable lines, including several bound levels in the ionization continuum of Fe i. Here, we extend the previous work by identifying 59 additional levels, with 1400 detectable lines, by incorporating new high-resolution UV spectra of warm metal-poor stars recently obtained by the Hubble Space Telescope Imagingmore » Spectrograph. We provide gf values for these transitions, both computed as well as adjusted to fit the stellar spectra. We also expand our spectral calculations to the infrared, confirming three levels by matching high-quality spectra of the Sun and two cool stars in the H -band. The predicted gf values suggest that an additional 3700 Fe i lines should be detectable in existing solar infrared spectra. Extending the empirical line identification work to the infrared would help confirm additional Fe i levels, as would new high-resolution UV spectra of metal-poor turnoff stars below 1900 Å.« less

[Preparation and spectral analysis of a new type of blue light-emitting material delta-Alq3].

PubMed

Wang, Hua; Hao, Yu-ying; Gao, Zhi-xiang; Zhou, He-feng; Xu, Bing-she

2006-10-01

In the present article, delta-Alq3, a new type of blue light-emitting material, was synthesized and investigated by IR spectra, XRD spectra, UV-Vis absorption spectra, photoluminescence (PL) spectra, and electroluminescence (EL) spectra. The relationship between molecular spatial structure and spectral characteristics was studied by the spectral analysis of delta-Alq3 and alpha-Alq3. Results show that a new phase of Alq3 (delta-Alq3) can be obtained by vacuum heating alpha-Alq3, and the molecular spatial structure of alpha-Alq3 changes during the vacuum heating. The molecular spatial structure of delta-Alq3 lacks symmetry compared to alpha-Alq3. This transformation can reduce the electron cloud density on phenoxide of Alq3 and weaken the intermolecular conjugated interaction between adjacent Alq3 molecules. Hence, the pi--pi* electron transition absorption peak of delta-Alq3 shifts toward short wavelength in UV-Vis absorption spectra, and the maximum emission peak of delta-Alq3 (lamda max = 480 nm) blue-shifts by 35 nm compared with that of alpha-Alq3 (lamda max = 515 nm) in PL spectra. The maximum emission peaks of delta-Alq3 and alpha-Alq3 are all at 520 nm in EL spectra.

New Fe I Level Energies and Line Identifications from Stellar Spectra. II. Initial Results from New Ultraviolet Spectra of Metal-poor Stars

NASA Astrophysics Data System (ADS)

Peterson, Ruth C.; Kurucz, Robert L.; Ayres, Thomas R.

2017-04-01

The Fe I spectrum is critical to many areas of astrophysics, yet many of the high-lying levels remain uncharacterized. To remedy this deficiency, Peterson & Kurucz identified Fe I lines in archival ultraviolet and optical spectra of metal-poor stars, whose warm temperatures favor moderate Fe I excitation. Sixty-five new levels were recovered, with 1500 detectable lines, including several bound levels in the ionization continuum of Fe I. Here, we extend the previous work by identifying 59 additional levels, with 1400 detectable lines, by incorporating new high-resolution UV spectra of warm metal-poor stars recently obtained by the Hubble Space Telescope Imaging Spectrograph. We provide gf values for these transitions, both computed as well as adjusted to fit the stellar spectra. We also expand our spectral calculations to the infrared, confirming three levels by matching high-quality spectra of the Sun and two cool stars in the H-band. The predicted gf values suggest that an additional 3700 Fe I lines should be detectable in existing solar infrared spectra. Extending the empirical line identification work to the infrared would help confirm additional Fe I levels, as would new high-resolution UV spectra of metal-poor turnoff stars below 1900 Å.

Comets

NASA Astrophysics Data System (ADS)

Festou, M. C.; Feldman, P. D.

Observations of comets obtained with the IUE satellite since its launch in 1978 are reviewed. The status of UV observation of comets prior to IUE is discussed, and particular attention is given to low-resolution UV spectroscopy of cometary comae, the detection of new species in the UV emission, high-dispersion spectroscopy, spatial mapping of the emissions, abundance determinations, and short-term variability. Diagrams, graphs, sample spectra, and tables of numerical data are provided.

Effects of gamma radiation on commercial food packaging films—study of changes in UV/VIS spectra

NASA Astrophysics Data System (ADS)

Moura, E. A. B.; Ortiz, A. V.; Wiebeck, H.; Paula, A. B. A.; Silva, A. L. A.; Silva, L. G. A.

2004-09-01

The effects of gamma irradiation doses up to 100 kGy on the optical properties of different commercial packaging films were studied in this paper. The packaging films analyzed were: polyethylene "LDPE", amide 6-amide 6.6 copolymer "PA6-PA6.6" and poly(ethylene terephthalate) "PET". An investigation on film samples before and after irradiation was performed by UV/VIS spectroscopy. The results showed that, in the absorption spectra of irradiated LDPE and PA6-PA6.6 films, a red-shift in the wavelength of the UV cutoff and a marked reduction in % transmittance (at low wavelengths) occur with increasing radiation dose. With respect to PET samples, no significant changes were observed in either light absorption or transmittance.

Oxidation of municipal wastewater by free radicals mechanism. A UV/Vis spectroscopy study.

PubMed

Giannakopoulos, E; Isari, E; Bourikas, K; Karapanagioti, H K; Psarras, G; Oron, G; Kalavrouziotis, I K

2017-06-15

This study investigates the oxidation of municipal wastewater (WW) by complexation with natural polyphenols having radical scavenging activity, such as (3,4,5 tri-hydroxy-benzoic acid) gallic acid (GA) in alkaline pH (>7), under ambient O 2 and temperature. Physicochemical and structural characteristics of GA-WW complex-forming are evaluated by UV/Vis spectroscopy. The comparative analysis among UV/Vis spectra of GA monomer, GA-GA polymer, WW compounds, and GA-WW complex reveals significant differences within 350-450 and 500-900 nm. According to attenuated total reflectance (ATR) spectroscopy and thermogravimetric analysis (TGA), these spectra differences correspond to distinct complexes formed. This study suggests a novel role of natural polyphenols on the degradation and humification of wastes. Copyright © 2016 Elsevier Ltd. All rights reserved.

Ca2 Al2 SiO7 :Ce3+ phosphors for mechanoluminescence dosimetry.

PubMed

Tiwari, Geetanjali; Brahme, Nameeta; Sharma, Ravi; Bisen, D P; Sao, Sanjay Kumar; Sahu, Ishwar Prasad

2016-12-01

A series of Ce 3+ ion single-doped Ca 2 Al 2 SiO 7 phosphors was synthesized by a combustion-assisted method at an initiating temperature of 600 °C. The samples were annealed at 1100 °C for 3 h and their X-ray diffraction patterns confirmed a tetragonal structure. The phase structure, particle size, surface morphology and elemental analysis were analyzed using X-ray diffraction (XRD), transmission electron microscope (TEM), scanning electron microscopy (SEM) and energy dispersive X-ray (EDX) spectroscopy techniques. Thermoluminescence (TL) intensity increased with increase in ultraviolet (UV) light exposure time up to 15 min. With further increase in the UV irradiation time the TL intensity decreases. The increase in TL intensity indicates that trap concentration increased with UV exposure time. A broad peak at 121 °C suggested the existence of a trapping level. The peak of mechanoluminescence (ML) intensity versus time curve increased linearly with increasing impact velocity of the moving piston. Mechanoluminescence intensity increased with increase in UV irradiation time up to 15 min. Under UV-irradiation excitation, the TL and ML emission spectra of Ca 2 Al 2 SiO 7 :Ce 3+ phosphor showed the characteristic emission of Ce 3+ peaking at 400 nm (UV-violet) and originating from the Ce 3+ transitions of 5d-4f ( 2 F 5/2 and 2 F 7/2 ). The photoluminescence (PL) emission spectra for Ca 2 Al 2 SiO 7 :Ce 3+ were similar to the ML/TL emission spectra. The mechanism of ML excitation and the suitability of the Ca 2 Al 2 SiO 7 :Ce 3+ phosphor for radiation dosimetry are discussed. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Comprehensive spectroscopic studies on the interaction of biomolecules with surfactant detached multi-walled carbon nanotubes.

PubMed

Sekar, Gajalakshmi; Mukherjee, Amitava; Chandrasekaran, Natarajan

2015-04-01

This paper investigates the interaction of ten diverse biomolecules with surfactant detached Multi-Walled Carbon Nanotubes (MWCNTs) using multiple spectroscopic methods. Declining fluorescence intensity of biomolecules in combination with the hyperchromic effect in UV-Visible spectra confirmed the existence of the ground state complex formation. Quenching mechanism remains static and non-fluorescent. 3D spectral data of biomolecules suggested the possibilities of disturbances to the aromatic microenvironment of tryptophan and tyrosine residues arising out of CNTs interaction. Amide band Shifts corresponding to the secondary structure of biomolecules were observed in the of FTIR and FT-Raman spectra. In addition, there exists an increased Raman intensity of tryptophan residues of biomolecules upon interaction with CNTs. Hence, the binding of the aromatic structures of CNTs with the aromatic amino acid residues, in a particular, tryptophan was evidenced. Far UV Circular spectra have showed the loss of alpha-helical contents in biomolecules upon interaction with CNTs. Near UV CD spectra confirmed the alterations in the tryptophan positions of the peptide backbone. Hence, our results have demonstrated that the interaction of biomolecules with OH-MWCNTs would involve binding cum structural changes and alteration to their aromatic micro-environment. Copyright © 2015 Elsevier B.V. All rights reserved.

The Predictive Power of the Annellation Theory: The Case of the C26H16 Cata-Condensed Benzenoid Polycyclic Aromatic Hydrocarbons.

PubMed

Oña-Ruales, Jorge O; Ruiz-Morales, Yosadara

2015-10-22

The Annellation Theory was applied to establish the locations of maximum absorbance for the p and β bands in the UV-vis spectra of eight benzenoid cata-condensed polycyclic aromatic hydrocarbons (PAHs) with molecular formula C26H16 and no available syntheses procedures. In this group of eight isomers, there are seven compounds with potential carcinogenic properties due to geometrical constraints. In addition, crude oil and asphaltene absorption spectra exhibit similar properties, and the PAHs in heavier crude oils and asphaltenes are known to be the source of the color of heavy oils. Therefore, understanding the electronic bands of PAHs is becoming increasingly important. The methodology was validated using information for the remaining 29 isomers with available UV-vis spectra. The results satisfactorily agree with the results from semiempirical calculations made using the ZINDO/S approach. The locations of maximum absorbance for the p and β bands in the UV-vis spectra of the eight C26H16 cata-condensed isomers dibenzo[c,m]tetraphene, naphtho[1,2-c]chrysene, dibenzo[c,f]tetraphene, benzo[f]picene, naphtho[2,1-a]tetraphene, naphtho[2,1-c]tetraphene, dibenzo[c,l]chrysene, and naphtho[1,2-a]tetraphene were established for the first time.

Spectroscopic (FT-IR, FT-Raman, UV absorption, 1H and 13C NMR) and theoretical (in B3LYP/6-311++G** level) studies on alkali metal salts of caffeic acid.

PubMed

Świsłocka, Renata

2013-01-01

The effect of some metals on the electronic system of benzoic and nicotinic acids has recently been investigated by IR, Raman and UV spectroscopy [1-3]. Benzoic and nicotinic acids are regarded model systems representing a wide group of aromatic ligands which are incorporated into enzymes. In this work the FT-IR (in solid state and in solution), FT-Raman, UV absorption and (1)H and (13)C NMR spectra of caffeic acid (3,4-dihydroxycinnamic acid) and its salts with lithium, sodium, potassium, rubidium and caesium were registered, assigned and analyzed. The effect of alkali metals on the electronic system of ligands was discussed. Studies of differences in the number and position of bands from the IR, Raman, UV absorption spectra and chemical shifts from NMR spectra allowed to conclude on the distribution of electronic charge in the molecules, the delocalization energy of π electrons and the reactivity of ligands in metal complexes. Optimized geometrical structures of studied compounds were calculated by B3LYP method using 6-311++G** basis set. Bond lengths, angles and dipole moments for the optimized structures of caffeic acid and lithium, sodium, potassium caffeinates were also calculated. The theoretical wavenumbers and intensities of IR spectra were obtained. The calculated parameters were compared to the experimental characteristics of investigated compounds. Microbial activity of studied compounds was tested against Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus and Proteus vulgaris. Copyright © 2012 Elsevier B.V. All rights reserved.

Green synthesis of silver nanoparticles and their application to cotton fabrics.

PubMed

Hebeish, A; El-Bisi, M K; El-Shafei, A

2015-01-01

Herein we present a green synthesis of silver nanoparticles (AgNPs) under the reducing action of sugar and the stabilizing action of polyethylene glycol (PEG). Factors affecting the synthesis notably molecular weight of PEG and concentrations of both sugar and silver nitrate were examined for the sake of optimization. Thus obtained AgNPs were characterized, by ultraviolet-visible (UV-vis) spectra for estimation of AgNPs formation and, Transmission electron microscopy (TEM) for determination of size and shape. AgNPs were applied with 1,2,3,4-butane tetracarboxylic acid (BTCA) and sodium hypophosphite (SHP) as a catalyst to cotton fabric. Application was performed according to the conventional pad-dry-cure technique. The treated fabrics were evaluated via monitoring morphological changes of the fibers using scanning electron microscopy (SEM), tensile strength and crease recovery angles in addition to bioassay of antimicrobial activity of the treated fabrics. Research output disclosed that PEG having molecular weight 2000 is the best among the other PEG used. Copyright © 2014 Elsevier B.V. All rights reserved.

Imagery and spectroscopy of supernova remnants and H-2 regions

NASA Technical Reports Server (NTRS)

Dufour, R. J.

1984-01-01

Research activities relating to supernova remnants were summarized. The topics reviewed include: progenitor stars of supernova remnants, UV/optical/radio/X-ray imagery of selected regions in the Cygnus Loop, UV/optical spectroscopy of the Cygnus Loop spur, and extragalactic supernova remnant spectra.

Distribution of hot stars and hydrogen in the Large Magellanic Cloud

NASA Technical Reports Server (NTRS)

Page, T.; Carruthers, G. R.

1981-01-01

Imagery of the Large Magellanic Cloud (LMC), in the wavelength ranges 1050 to 1600 A and 1250 to 1600 A, was obtained by the S201 far ultraviolet camera during the Apollo 16 mission. These images were reduced to absolute far-UV intensity distributions over the area of the LMC, with 3 to 5 arc min angular resolution. Comparison of these far-UV measurements in the LMC with H sub alpha and 21 cm surveys reveals that interstellar hydrogen in the LMC is often concentrated in 100 pc clouds within 500 pc clouds. Furthermore, at least 25 associations of O-B stars in the LMC are outside the interstellar hydrogen clouds; four of them appear to be on the far side. Far-UV and mid-UV spectra were obtained of stars in 12 of these associations, using the International Ultraviolet Explorer. Equivalent widths of L alpha and six other lines, and relative intensities of the continuum at seven wavelength from 1300 A to 2900 A, were measured. These spectra are also discussed.

Vacancy-Rich Monolayer BiO 2-x as a Highly Efficient UV, Visible, and Near-Infrared Responsive Photocatalyst

DOE PAGES

Li, Jun; Wu, Xiaoyong; Pan, Wenfeng; ...

2017-09-08

Here in this paper, a full-spectrum responsive vacancy-rich monolayer BiO 2-x has been synthesized. The increased density of states at the conduction band (CB) minimum in the monolayer BiO 2-x is responsible for the enhanced photon response and photo-absorption, which were confirmed by UV/Vis-NIR diffuse reflectance spectra (DRS) and photocurrent measurements. Compared to bulk BiO 2-x, monolayer BiO 2-x has exhibited enhanced photocatalytic performance for rhodamine B and phenol removal under UV, visible, and near-infrared light (NIR) irradiation, which can be attributed to the vacancy VBi-O"' as confirmed by the positron annihilation spectra. The presence of V Bi-O"' defects inmore » monolayer BiO 2-x promoted the separation of electrons and holes. This finding provides an atomic level understanding for developing highly efficient UV, visible, and NIR light responsive photocatalysts.« less

Vacancy-Rich Monolayer BiO 2-x as a Highly Efficient UV, Visible, and Near-Infrared Responsive Photocatalyst

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Jun; Wu, Xiaoyong; Pan, Wenfeng

Here in this paper, a full-spectrum responsive vacancy-rich monolayer BiO 2-x has been synthesized. The increased density of states at the conduction band (CB) minimum in the monolayer BiO 2-x is responsible for the enhanced photon response and photo-absorption, which were confirmed by UV/Vis-NIR diffuse reflectance spectra (DRS) and photocurrent measurements. Compared to bulk BiO 2-x, monolayer BiO 2-x has exhibited enhanced photocatalytic performance for rhodamine B and phenol removal under UV, visible, and near-infrared light (NIR) irradiation, which can be attributed to the vacancy VBi-O"' as confirmed by the positron annihilation spectra. The presence of V Bi-O"' defects inmore » monolayer BiO 2-x promoted the separation of electrons and holes. This finding provides an atomic level understanding for developing highly efficient UV, visible, and NIR light responsive photocatalysts.« less

Colliding Winds and Tomography of O-Type Binaries

NASA Technical Reports Server (NTRS)

Gies, Dougles R.

1995-01-01

This grant was awarded in support of an observational study with the NASA IUE Observatory during the 15th episode (1992), and it subsequently also supported our continuing work in 16th (1994) and 18th (1995) episodes. The project involved the study of FUV spectra of massive spectroscopic binary systems containing hot stars of spectral type O. We applied a Doppler tomography algorithm to reconstruct the individual component UV spectra of stars in order to obtain improved estimates of the temperature, gravity, UV intensity ratio, and projected rotational velocity for stars in each system, and to make a preliminary survey for abundance anomalies through comparison with standard spectra. We also investigated the orbital phase-related variations in the UV stellar wind lines to probe the geometries of wind-wind collisions in these systems. The project directly supported two Ph.D. dissertations at Georgia State University (by Penny and Thaller), and we are grateful for this support. No inventions were made in the performance of this work. Detailed results are summarized in the abstracts listed in the following section.

A comparative study of DFT calculated and experimental UV/Visible spectra for thirty carboline and carbazole based compounds

NASA Astrophysics Data System (ADS)

Zara, Zeenat; Iqbal, Javed; Ayub, Khurshid; Irfan, Muhammad; Mahmood, Athar; Khera, Rasheed Ahmad; Eliasson, Bertil

2017-12-01

A comparative study of UV/Visible spectra of carboline and carbazole derivatives was conducted by employing the Density Functional Theory (DFT) approach. In this study, the geometries of ground and excited states, excitation energy and absorption spectra were estimated by using seven different DFT functional; CAM-B3LYP, B3LYP, MPW1PW91, PBE, B3PW91, WB97XD and HSE06 with 6-31G basis set. Moreover, five different basis sets 3-21G, 6-31G, DGDZVP, DGTZVP and SDD were also investigated with the CAM-B3LYP and WB97XD functional to take out the best combination of functional and basis set. CAM-B3LYP/6-31G and WB97XD/DGDZVP combination were found to have closest agreement with the experimental values of β-carboline derivatives and carbazole derivatives, respectively. This study provided an insight about the electronic characteristics of the selected compounds and provided an effective tool for developing and designing the better UV absorber compounds.

Synthesis and characterization of Y2O3 nano-material: An experimental and theoretical study

NASA Astrophysics Data System (ADS)

Ahmad, Sheeraz; Faizan, Mohd; Ahmad, Shabbir; Ikram, Mohd

2018-04-01

We made an attempt to synthesize pure Y2O3 nanomaterial by using the sol-gel method followed by annealing at 600°C and 900°C. The synthesized Y2O3 nanoparticle was characterized by using XRD, FTIR, and UV-Vis spectroscopy. The structural refinement was performed using FULLPROF software by the Rietveld method. The refinement parameters such as lattice constant, atomic position, occupancy, R-factor and goodness of fit (χ2) were calculated. The nanoparticle has a single phase cubic structure with Ia -3 space group. The main absorption band in FTIR spectra centered at 560 cm-1 is attributed to Y-O vibration while the broadband at 3450 cm-1 arises due to O-H vibration. The band gap was obtained from the reflectance spectra using the K-M function F(R∞). The optimized structural parameters and UV-Vis spectrum were calculated using DFT and TD-DFT/B3LYP methods in bulk phase of Y2O3 and compared with experimental UV-Vis spectra in nanophase.

Optical, Magnetic and Photocatalytic Activity Studies of Li, Mg and Sr Doped and Undoped Zinc Oxide Nanoparticles.

PubMed

Shanthi, S I; Poovaragan, S; Arularasu, M V; Nithya, S; Sundaram, R; Magdalane, C Maria; Kaviyarasu, K; Maaza, M

2018-08-01

Nanoparticles of Li, Mg and Sr doped and undoped zinc oxide was prepared by simple precipitation method. The structural, optical, and magnetic properties of the samples were investigated by the Powder X-ray Diffraction (XRD), Scanning Electron Microscope (SEM), Transmission Electron Microscope (TEM), Fourier Transform Infrared (FTIR) spectroscopy, Ultra-violet Visible spectroscopy (UV-vis) spectra, Photoluminescence (PL) and Vibrational Sample Magnetometer (VSM). The Powder X-ray diffraction data confirm the formation of hexagonal wurtzite structure of all doped and undoped ZnO. The SEM photograph reveals that the pores availability and particles size in the range of 10 nm-50 nm. FTIR and UV-Visible spectra results confirm the incorporation of the dopant into the ZnO lattice nanostructure. The UV-Visible spectra indicate that the shift of blue region (lower wavelength) due to bandgap widening. Photoluminescence intensity varies with doping due to the increase of oxygen vacancies in prepared ZnO. The pure ZnO exist paramagnetic while doped (Li, Mg and Sr) ZnO exist ferromagnetic property. The photocatalytic activity of the prepared sample also carried out in detail.

TDDFT calculations and photoacoustic spectroscopy experiments used to identify phenolic acid functional biomolecules in Brazilian tropical fruits in natura

NASA Astrophysics Data System (ADS)

Lourenço Neto, M.; Agra, K. L.; Suassuna Filho, J.; Jorge, F. E.

2018-03-01

Time-dependent density functional theory (TDDFT) calculations of electronic transitions have been widely used to determine molecular structures. The excitation wavelengths and oscillator strengths obtained with the hybrid exchange-correlation functional B3LYP in conjunction with the ADZP basis set are employed to simulate the UV-Vis spectra of eight phenolic acids. Experimental and theoretical UV-Vis spectra reported previously in the literature are compared with our results. The fast, sensitive and non-destructive technique of photoacoustic spectroscopy (PAS) is used to determine the UV-Vis spectra of four Brazilian tropical fresh fruits in natura. Then, the PAS along with the TDDFT results are for the first time used to investigate and identify the presence of phenolic acids in the fruits studied in this work. This theoretical method with this experimental technique show to be a powerful and cheap tool to detect the existence of phenolic acids in fruits, vegetables, cereals, and grains. Comparison with high performance liquid chromatography results, when available, is also carried out.

Spectral studies on the interaction between lanthanum ion and the ligand: N,N'-ethylenebis-[2-(o-hydroxyphenolic)glycine].

PubMed

Yaqin, Zhao; Binsheng, Yang

2005-11-01

The interaction between N,N'-ethylenebis-[2-(o-hydroxyphenolic)glycine] (EHPG) and lanthanum was studied by the difference UV spectra and fluorescence spectra. At pH 7.4, 0.01 M N-2-hydroxyethylpiperazine-N-2-ethanesulfonic acid (Hepes), with the addition of 1.0 x 10(-3)M lanthanum, two new peaks were observed at 238 nm and 294 nm by absorptivity spectroscopy compared with blank solution EHPG suggesting the interaction of lanthanum and EHPG. At the same time, the reaction could be measured by fluorescence spectra. The fluorescence intensity of EHPG at 310 nm was significantly decreased in the presence of lanthanum. The 1:1 stoichiometric ratio of EHPG to lanthanum was confirmed by both fluorescence and UV titration curves. In addition, the molar absorptivity of La-EHPG at 238 nm is (1.23+/-0.01)x10(4)cm(-1)M(-1). The conditional binding constant was calculated to be log K(La-EHPG)=12.09+/-0.37 on the basis of the result of UV titration curves.

Principal component analysis of phenolic acid spectra

USDA-ARS?s Scientific Manuscript database

Phenolic acids are common plant metabolites that exhibit bioactive properties and have applications in functional food and animal feed formulations. The ultraviolet (UV) and infrared (IR) spectra of four closely related phenolic acid structures were evaluated by principal component analysis (PCA) to...

Spectral information (gas, liquid and solid phase from EUV-VUV-UV-Vis-NIR) and related data (e.g. information concerning publications on quantum yield studies or photolysis studies) from published papers

NASA Astrophysics Data System (ADS)

Noelle, A.; Hartmann, G. K.; Martin-Torres, F. J.

2010-05-01

The science-softCon "UV/Vis+ Spectra Data Base" is a non-profit project established in August 2000 and is operated in accordance to the "Open Access" definitions and regulations of the CSPR Assessment Panel on Scientific Data and Information (International Council for Science, 2004, HYPERLINK "http://www.science-softcon.de/spectra/cspr.pdf" ICSU Report of the CSPR Assessment Panel on Data and Information; ISBN 0-930357-60-4). The on-line database contains currently about 5600 spectra (from low to very high resolution, at different temperatures and pressures) and datasheets (metadata) of about 850 substances. Additional spectra/datasheets will be added continuously. In addition more than 250 links to on-line free available original publications are provided. The interdisciplinary of this photochemistry database provides a good interaction between different research areas. So, this database is an excellent tool for scientists who investigate on different fields such as atmospheric chemistry, astrophysics, agriculture, analytical chemistry, environmental chemistry, medicine, remote sensing, etc. To ensure the high quality standard of the fast growing UV/Vis+ Spectra Data Base an international "Scientific Advisory Group" (SAG) has been established in 2004. Because of the importance of maintenance of the database the support of the scientific community is crucial. Therefore we would like to encourage all scientists to support this data compilation project thru the provision of new or missing spectral data and information.

Assessment of organic pollution of an industrial river by synchronous fluorescence and UV-vis spectroscopy: the Fensch River (NE France).

PubMed

Assaad, Aziz; Pontvianne, Steve; Pons, Marie-Noëlle

2017-05-01

To rapidly monitor the surface water quality in terms of organic pollution of an industrial river undergoing restoration, optical methods (UV-visible spectrometry and fluorescence) were applied in parallel to classical physical-chemical analyses. UV-visible spectra were analyzed using the maximum of the second derivative at 225 nm (related to nitrates), specific absorbance at 254 nm (SUVA 254 ), and the spectral slope between 275 and 295 nm (S 275-295 ) (related to the aromaticity and molecular weight of dissolved organic carbon). The synchronous fluorescence spectra (wavelength difference = 50 nm) exhibited a high variability in the composition of dissolved organic material between the upstream and downstream sections and also versus time. The principal components analysis of the entire set of synchronous fluorescence spectra helped to define three river sections with different pollution characteristics. Spectral decomposition was applied to the two most upstream sections: five fluorophores, classical in rivers impacted by domestic sewage and related to protein-like (λ ex  = 280 nm) and humic-like fluorescence (M-type with λ ex  ≈ 305-310 nm and C-type with λ ex  ≥ 335 nm), were identified. The irregular shape of the synchronous fluorescence spectra in the most downstream section is likely due to organic pollutants of industrial origin; however, their variability and the complexity of the spectra did not allow the further elucidation of their nature.

The Lowest Triplet of Tetracyanoquinodimethane via UV-vis Absorption Spectroscopy with Br-Containing Solvents.

PubMed

Khvostenko, Olga G; Kinzyabulatov, Renat R; Khatymova, Laysan Z; Tseplin, Evgeniy E

2017-10-05

This study was undertaken to find the previously unknown lowest triplet of the isolated molecule of tetracyanoquinodimethane (TCNQ), which is a widely used organic semiconductor. The problem is topical because the triplet excitation of this compound is involved in some processes which occur in electronic devices incorporating TCNQ and its derivatives, and information on the TCNQ triplet is needed for better understanding of these processes. The lowest triplet of TCNQ was obtained at 1.96 eV using UV-vis absorption spectroscopy with Br-containing solvents. Production of the triplet band with sufficient intensity in the spectra was provided by the capacity of the Br atom to augment the triplet excitation and through using a 100 mm cuvette. The assignment of the corresponding spectral band to the triplet transition was made by observation that this band appeared only in the spectra recorded in Br-containing solvents but not in spectra recorded in other solvents. Additional support for the triplet assignment came from the overall UV-vis absorption spectra of TCNQ recorded in various solvents, using a 10 mm cuvette, in the 1.38-6.5 eV energy range. Singlet transitions of the neutral TCNQ o molecule and doublet transitions of the TCNQ ¯ negative ion were identified in these overall spectra and were assigned with TD B3LYP/6-31G calculations. Determination of the lowest triplet of TCNQ attained in this work may be useful for theoretical studies and practical applications of this important compound.

Application of UV-visible absorption spectroscopy combined with two-dimensional correlation for insight into DOM fractions from native halophyte soils in a larger estuarine delta.

PubMed

Wei, Huaibin; Yu, Huibin; Pan, Hongwei; Gao, Hongjie

2018-05-01

UV-visible absorption spectroscopy combined with principal component analysis (PCA) and two-dimensional correlation (2D correlation) is used to trace components of dissolved organic matter (DOM) extracted from soils in a larger estuarine delta and to investigate spatial variations of DOM fractions. Soil samples of different depths were collected from native halophyte soils along a saline gradient, i.e., Suaeda salsa Comm. (SSC), Chenopodium album Comm. (CAC), Phragmites australis Comm. (PAC), and Artemisia selengensis Comm. (ASC). Molecular weights of DOM within the SSC soil profile were the lowest, followed by the CAC, PAC, and ASC soil profiles. Humification degree of DOM within the ASC soil profile was the highest, followed by the PAC, SSC, and CAC soil profiles. DOM within the soil profiles mainly contained phenolic, carboxylic, microbial products, and aromatic and alkyl groups through the PCA, which presented the significant differentiation among the four native halophyte soil profiles. The 2D UV correlation spectra of DOM within the SSC soil profile indicated that the variations of the phenolic groups were the largest, followed by the carboxylic groups, microbial products, and humified organic materials according to the band changing order of 285 → 365 → 425 → 520 nm. The 2D UV correlation spectra of DOM within the CAC soil profiles determined that the decreasing order of the variations was phenolic groups > carboxylic groups > microbial products according the band changing order of 285 → 365 → 425 nm. The 2D UV correlation spectra of DOM within the PAC soil profile proved that the variations of the phenolic groups were larger than those of the carboxylic groups according to the band changing order of 285 → 365 nm. The 2D UV correlation spectra of DOM within the ASC soil profile demonstrated that the variations of the phenolic groups were larger than those of the other DOM fractions according to the broad cross-peak at 285/365-700 nm.

Solar UV Radiation and the Origin of Life on Earth

NASA Technical Reports Server (NTRS)

Heap, S. R.; Gaidos, E.; Hubeny, I.; Lanz, T. M.; Fisher, Richard R. (Technical Monitor)

2001-01-01

We have embarked on a program aimed at understanding the atmosphere of the early Earth, because of its importance as a greenhouse, radiation shield, and energy source for life. Here, we give a progress report on the first phase of this program: to establish the UV radiation from the early Sun. We are presently obtaining ultraviolet spectra (STIS, FUSE, EUVE) of carefully selected nearby, young solar-type stars, which act as surrogates for the early Sun. We are currently making detailed non-LTE analyses of the spectra and constructing models of their photospheres + chromospheres. once validated, these models will allow us to extrapolate our theoretical spectra to unobserved spectral regions, and to proceed to the next step: to develop photochemical models of the pre-biotic and Archean atmosphere of the Earth.

Atlas of reflectance spectra of terrestrial, lunar, and meteoritic powders and frosts from 92 to 1800 nm

NASA Technical Reports Server (NTRS)

Wagner, Jeffrey K.; Hapke, Bruce W.; Wells, Eddie N.

1987-01-01

The spectra of samples of several powder and frost materials are presented to serve in a reference database for future far-UV scans of solar system bodies. The spectra cover in the 92-1800 nm wavelengths, i.e., wavenumbers 110,000-5600/cm and photon energies from 13.5-1.5 eV. Preparation procedures for the particulates are delineated. The survey includes feldspars, orthopyroxenes, clinopyroxenes, olivines, assorted minerals, achondrites, carbonaceous chondrites and ordinary chondrites, lunar soils and rocks. Frosts of H2O, CO2, NH3 and SO2 gases were also examined. The data are expected to aid in obtaining spectral matches for asteroids and meteoroids when far-UV telescopy of solar system bodies is performed.

Modifying the Standard Disk Model for the Ultraviolet Spectral Analysis of Disk-dominated Cataclysmic Variables. I. The Novalikes MV Lyrae, BZ Camelopardalis, and V592 Cassiopeiae

NASA Astrophysics Data System (ADS)

Godon, Patrick; Sion, Edward M.; Balman, Şölen; Blair, William P.

2017-09-01

The standard disk is often inadequate to model disk-dominated cataclysmic variables (CVs) and generates a spectrum that is bluer than the observed UV spectra. X-ray observations of these systems reveal an optically thin boundary layer (BL) expected to appear as an inner hole in the disk. Consequently, we truncate the inner disk. However, instead of removing the inner disk, we impose the no-shear boundary condition at the truncation radius, thereby lowering the disk temperature and generating a spectrum that better fits the UV data. With our modified disk, we analyze the archival UV spectra of three novalikes that cannot be fitted with standard disks. For the VY Scl systems MV Lyr and BZ Cam, we fit a hot inflated white dwarf (WD) with a cold modified disk (\\dot{M} ˜ a few 10-9 M ⊙ yr-1). For V592 Cas, the slightly modified disk (\\dot{M}˜ 6× {10}-9 {M}⊙ {{yr}}-1) completely dominates the UV. These results are consistent with Swift X-ray observations of these systems, revealing BLs merged with ADAF-like flows and/or hot coronae, where the advection of energy is likely launching an outflow and heating the WD, thereby explaining the high WD temperature in VY Scl systems. This is further supported by the fact that the X-ray hardness ratio increases with the shallowness of the UV slope in a small CV sample we examine. Furthermore, for 105 disk-dominated systems, the International Ultraviolet Explorer spectra UV slope decreases in the same order as the ratio of the X-ray flux to optical/UV flux: from SU UMa’s, to U Gem’s, Z Cam’s, UX UMa’s, and VY Scl’s.

Mechanisms of Photo Degradation for Layered Silicate-Polycarbonate Nanocomposites

DTIC Science & Technology

2005-09-01

crystal was used as the sampling accessory. The UV/VIS spectra were recorded using a Cary 5G UV/VIS/ near - infrared (NIR) spectrometer set to scan in...transform infrared spectroscopy. The results reveal that the carbonate linkages undergo a scission reaction upon UV exposure, thereby compromising the...were wiped clean before spectroscopic analysis. 3.3 Spectroscopic Measurements Infrared measurements were recorded on a Nicolet model 560 Magna

Advances in UV-Plasmonics: A Detailed Analysis of Metallic Materials as Candidates for New Applications in Nanothecnology

DTIC Science & Technology

2014-08-26

Indium, Rhodium, Ruthenium, Tungsten, Titanium, Chromium, Palladium, Copper, Platinum and Magnesium . These have been chosen because all of them...performance. vii. Considering that the observed behaviors occur precisely where UV surface-enhanced Raman spectra indicated strong local field...research objective was centered on the UV plasmonic properties of Rh NPs by means of surface-enhanced Raman spectroscopy, surface-enhanced

Multiconfigurational and DFT analyses of the electromeric formulation and UV-vis absorption spectra of the superoxide adduct of ferrous superoxide reductase.

PubMed

Attia, Amr A A; Cioloboc, Daniela; Lupan, Alexandru; Silaghi-Dumitrescu, Radu

2016-12-01

The putative initial adduct of ferrous superoxide reductase (SOR) with superoxide has been alternatively formulated as ferric-peroxo or ferrous-superoxo. The ~600-nm UV-vis absorption band proposed to be assigned to this adduct (either as sole intermediate in the SOR catalytic cycle, or as one of the two intermediates) has recently been interpreted as due to a ligand-to-metal charge transfer, involving thiolate and superoxide in a ferrous complex, contrary to an alternative assignment as a predominantly cysteine thiolate-to-ferric charge transfer in a ferric-peroxo electromer. In an attempt to clarify the electromeric formulation of this adduct, we report a computational study using a multiconfigurational complete active space self-consistent field (MC-CASSCF) wave function approach as well as modelling the UV-vis absorption spectra with time-dependent density functional theory (TD-DFT). The MC-CASSCF calculations disclose a weak interaction between iron and the dioxygenic ligand and a dominant configuration with an essentially ferrous-superoxo character. The computed UV-vis absorption spectra reveal a marked dependence on the choice of density functional - both in terms of location of bands and in terms of orbital contributors. For the main band in the visible region, besides the recently reported thiolate-to-superoxide charge transfer, a more salient, and less functional-dependent, feature is a thiolate-to-ferric iron charge transfer, consistent with a ferric-peroxo electromer. By contrast, the computed UV-vis spectra of a ferric-hydroperoxo SOR model match distinctly better (and with no qualitative dependence on the DFT methodology) the 600-nm band as due to a mainly thiolate-to-ferric character - supporting the assignment of the SOR "600-nm intermediate" as a S=5/2 ferric-hydroperoxo species. Copyright © 2016 Elsevier Inc. All rights reserved.

THE UNUSUAL TEMPORAL AND SPECTRAL EVOLUTION OF THE TYPE IIn SUPERNOVA 2011ht

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roming, P. W. A.; Bayless, A. J.; Pritchard, T. A.

2012-06-01

We present very early UV to optical photometric and spectroscopic observations of the peculiar Type IIn supernova (SN) 2011ht in UGC 5460. The UV observations of the rise to peak are only the second ever recorded for a Type IIn SN and are by far the most complete. The SN, first classified as an SN impostor, slowly rose to a peak of M{sub V} {approx} -17 in {approx}55 days. In contrast to the {approx}2 mag increase in the v-band light curve from the first observation until peak, the UV flux increased by >7 mag. The optical spectra are dominated bymore » strong, Balmer emission with narrow peaks (FWHM {approx} 600 km s{sup -1}), very broad asymmetric wings (FWHM {approx} 4200 km s{sup -1}), and blueshifted absorption ({approx}300 km s{sup -1}) superposed on a strong blue continuum. The UV spectra are dominated by Fe II, Mg II, Si II, and Si III absorption lines broadened by {approx}1500 km s{sup -1}. Merged X-ray observations reveal a L{sub 0.2-10} = (1.0 {+-} 0.2) Multiplication-Sign 10{sup 39} erg s{sup -1}. Some properties of SN 2011ht are similar to SN impostors, while others are comparable to Type IIn SNe. Early spectra showed features typical of luminous blue variables at maximum and during giant eruptions. However, the broad emission profiles coupled with the strong UV flux have not been observed in previous SN impostors. The absolute magnitude and energetics ({approx}2.5 Multiplication-Sign 10{sup 49} erg in the first 112 days) are reminiscent of normal Type IIn SN, but the spectra are of a dense wind. We suggest that the mechanism for creating this unusual profile could be a shock interacting with a shell of material that was ejected a year before the discovery of the SN.« less

Skylab

NASA Image and Video Library

1970-01-01

This 1970 photograph shows Skylab's Ultraviolet (UV)/X-Ray Solar Photography instrument, an Apollo Telescope Mount (ATM) facility designed to photograph normal and explosive areas in the solar atmosphere in the x-ray and UV spectra. The Marshall Space Flight Center had program management responsibility for the development of Skylab hardware and experiments.

Fluorescent bovine serum albumin interacting with the antitussive quencher dextromethorphan: a spectroscopic insight.

PubMed

Durgannavar, Amar K; Patgar, Manjanath B; Nandibewoor, Sharanappa T; Chimatadar, Shivamurti A

2016-05-01

The interaction of dextromethorphan hydrobromide (DXM) with bovine serum albumin (BSA) is studied by using fluorescence spectra, UV-vis absorption, synchronous fluorescence spectra (SFS), 3D fluorescence spectra, Fourier transform infrared (FTIR) spectroscopy and circular dichroism under simulated physiological conditions. DXM effectively quenched the intrinsic fluorescence of BSA. Values of the binding constant, K(A), are 7.159 × 10(3), 9.398 × 10(3) and 16.101 × 10(3)  L/mol; the number of binding sites, n, and the corresponding thermodynamic parameters ΔG°, ΔH° and ΔS° between DXM and BSA were calculated at different temperatures. The interaction between DXM and BSA occurs through dynamic quenching and the effect of DXM on the conformation of BSA was analyzed using SFS. The average binding distance, r, between the donor (BSA) and acceptor (DXM) was determined based on Förster's theory. The results of fluorescence spectra, UV-vis absorption spectra and SFS show that the secondary structure of the protein has been changed in the presence of DXM. Copyright © 2015 John Wiley & Sons, Ltd.

SimBAL: A Spectral Synthesis Approach to Analyzing Broad Absorption Line Quasar Spectra

NASA Astrophysics Data System (ADS)

Terndrup, Donald M.; Leighly, Karen; Gallagher, Sarah; Richards, Gordon T.

2017-01-01

Broad Absorption Line quasars (BALQSOs) show blueshifted absorption lines in their rest-UV spectra, indicating powerful winds emerging from the central engine. These winds are essential part of quasars: they can carry away angular momentum and thus facilitate accretion through a disk, they can distribute chemically-enriched gas through the intergalactic medium, and they may inject kinetic energy to the host galaxy, influencing its evolution. The traditional method of analyzing BALQSO spectra involves measuring myriad absorption lines, computing the inferred ionic column densities in each feature, and comparing with the output of photonionization models. This method is inefficient and does not handle line blending well. We introduce SimBAL, a spectral synthesis fitting method for BALQSOs, which compares synthetic spectra created from photoionization model results with continuum-normalized observed spectra using Bayesian model calibration. We find that we can obtain an excellent fit to the UV to near-IR spectrum of the low-redshift BALQSO SDSS J0850+4451, including lines from diverse ionization states such as PV, CIII*, SIII, Lyalpha, NV, SiIV, CIV, MgII, and HeI*.

Research on Spectroscopy, Opacity, and Atmospheres

NASA Technical Reports Server (NTRS)

Oliversen, Ronald (Technical Monitor); Kurucz, Robert L.

2004-01-01

I propose to continue providing observers with basic data for interpreting spectra from stars, novas, supernovas, clusters, and galaxies. These data will include allowed forbidden line lists both laboratory and computed, for the first five to ten ions of all atoms and for all relevant diatomic molecules. I will eventually expend to all ions of the first thirty elements to treat far UV end X-ray spectra, and for envelope opacities. I also include triatomic molecules providing by other researchers. I have made CDs with Partridge and Schwanke's water data for work on M stars.The luna data also serve as input to my model atmosphere and synthesis programs that generated energy distributions, photometry, limb darkening, and spectra that can be used for planning observations and for fitting observed spectra. The spectrum synthesis programs produce detailed plots with the line identified. Grids of stellar spectra can be used for radial velocity-, rotation-, or abundance templates and for population synthesis. I am fitting spectra of bright stars to test the data and to produce atlases to guide observer. For each star the whole spectrum is computed from the UV to the far IR. The line data, opacities, models, spectra, and programs are freely distributed on CDs and on my web site and represent a unique resource for many NASA programs.

THE UV/BLUE EFFECTS OF SPACE WEATHERING MANIFESTED IN S-COMPLEX ASTEROIDS. I. QUANTIFYING CHANGE WITH ASTEROID AGE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vilas, Faith; Hendrix, Amanda R., E-mail: fvilas@psi.edu

Evidence for the manifestation of space weathering in S-complex asteroids as a bluing of the UV/blue reflectance spectrum is extended using high resolution CCD reflectance spectra of 21 main-belt, 1 Mars-crossing, and 3 near-Earth asteroids covering a wavelength range of 320–620 nm. Demonstration of the transition of iron-bearing materials from volume scattering to surface (Fresnel) scattering is apparent as an abrupt downturn at wavelengths just short of 400 nm in reflectance spectra of fresh asteroid surfaces. The weathering away of this downturn is demonstrated by its absence in reflectance spectra of mature S-complex asteroids, consistent with an increase in npFe{supmore » 0} on the material's surface. Modeling of the effects of the addition of small amounts of npFe{sup 0} to particles from both a hypothetical mineral and a terrestrial basalt shows that evidence of the addition of 0.0001% npFe{sup 0} affects the reflectance at UV/blue wavelengths, while the addition of 0.01% is required to see the visible/near-infrared reddening and diminution of absorption features. Thus, the UV/blue reflectance characteristics allow earlier detection of the onset of space weathering effects. Combining UV/blue spectral characteristics of asteroids and ordinary chondrite meteorites with estimated ages of the young Datura family, we establish a method of dating asteroid surface ages during the early stages of space weathering. We demonstrate by dating the surface of NEA 163249 2002 GT to be 109 (±18) to 128 (±10) Kyr.« less

Multi-Wavelength Spectroscopy of Tidal Disruption Flares: A Legacy Sample for the LSST Era

NASA Astrophysics Data System (ADS)

Cenko, Stephen

2017-08-01

When a star passes within the sphere of disruption of a massive black hole, tidal forces will overcome self-gravity and unbind the star. While approximately half of the stellar debris is ejected at high velocities, the remaining material stays bound to the black hole and accretes, resulting in a luminous, long-lived transient known as a tidal disruption flare (TDF). In addition to serving as unique laboratories for accretion physics, TDFs offer the hope of measuring black hole masses in galaxies much too distant for resolved kinematic studies.In order to realize this potential, we must better understand the detailed processes by which the bound debris circularizes and forms an accretion disk. Spectroscopy is critical to this effort, as emission and absorption line diagnostics provide insight into the location and physical state (velocity, density, composition) of the emitting gas (in analogy with quasars). UV spectra are particularly critical, as most strong atomic features fall in this bandpass, and high-redshift TDF discoveries from LSST will sample rest-frame UV wavelengths.Here we propose to obtain a sequence of UV (HST) and optical (Gemini/GMOS) spectra for a sample of 5 TDFs discovered by the Zwicky Transient Facility, doubling the number of TDFs with UV spectra. Our observations will directly test models for the generation of the UV/optical emission (circularization vs reprocessing) by searching for outflows and measuring densities, temperatures, and composition as a function of time. This effort is critical to developing the framework by which we can infer black hole properties (e.g., mass) from LSST TDF discoveries.

Spectral Types and Wind Velocities for Massive Stars in R136

NASA Astrophysics Data System (ADS)

Bostroem, K. A.; Maíz Apellániz, J.; Caballero-Nieves, S. M.; Walborn, N. R.; Crowther, P. A.

2014-01-01

We analyze spatially resolved, long-slit ultraviolet (UV) and optical stellar spectra of the compact starburst cluster R136 at the core of 30 Doradus. R136 is young and massive, making it an ideal place to study the upper end of the initial mass function. These spectra, taken with the Space Telescope Imaging Spectrograph on the Hubble Space Telescope, cover over 100 stars in the inner 4 arcseconds (1 parsec) of R136, a region which cannot be resolved with ground-based spectroscopy. In this poster we present both the UV and optical of over 20 of the brightest stars in R136, extracted with MULTISPEC, a tool written specifically for multiple objects in crowded fields. For each star we present an optical spectral type and a terminal wind velocity derived from the UV data

Star formation history and chemical enrichment in the early Universe: clues from the rest-optical and rest-UV spectra of z~2-3 star-forming galaxies in the Keck Baryonic Structure Survey

NASA Astrophysics Data System (ADS)

Strom, Allison L.

2017-01-01

Galaxies at the peak of cosmic star formation (z~2-3) exhibit significantly higher star formation rates and gas fractions at fixed stellar mass than nearby galaxies. These z~2-3 galaxies are also distinct in terms of their nebular spectra, reflecting important differences not only in the physical conditions of their interstellar medium (e.g., electron density and gas-phase metallicity), but also in the details of their massive stellar populations, especially their ionizing radiation fields. Jointly observing galaxies' HII regions, at rest-UV and rest-optical wavelengths, and massive stars, at rest-UV wavelengths, is central to constructing a framework for understanding the differences between z~2-3 and z~0 star-forming galaxies and for self-consistently explaining the trends observed in the high-redshift population. My thesis is based on data from the Keck Baryonic Structure Survey (KBSS), which uniquely combines observations of individual galaxies in these two bandpasses. In total, the near-infrared component of the KBSS includes spectra of >700 z~2-3 galaxies obtained with Keck/MOSFIRE. I will present these results along with a detailed analysis of the full rest-optical (3600-7000 Ang) nebular spectra of ~400 galaxies, showing that high-redshift galaxies exhibit uniformly high degrees of ionization and excitation with respect to most z~0 galaxies. Combined with observations of the same galaxies' rest-UV spectra (obtained with Keck/LRIS) and photoionization model predictions, these results suggest that the disparity arises from differences in the shape of the ionizing radiation field at fixed gas-phase oxygen abundance, most likely due to the effects of Fe-poor massive binary stars. My comprehensive spectroscopic study of an unprecedentedly large sample of z~2-3 galaxies offers compelling evidence that the distinct chemical abundance patterns observed in these galaxies are the result of systematic differences in their star formation histories.

Preparation, characterization, physical properties, and photoconducting behaviour of anthracene derivative nanowires

NASA Astrophysics Data System (ADS)

Xiao, Jinchong; Yin, Zongyou; Yang, Bo; Liu, Yi; Ji, Li; Guo, Jun; Huang, Ling; Liu, Xuewei; Yan, Qingyu; Zhang, Hua; Zhang, Qichun

2011-11-01

Organic nanowires of 9,10-dibromoanthracene (DBA) and 9,10-dicyanoanthracene (DCNA) were obtained by adding the THF solution of DBA/DCNA into water containing P123 surfactants. The as-prepared nanowires were characterized by UV-vis, fluorescence spectra, Field Emission Scanning Electron Microscopy (FESEM), and Transmission Electron Microscopy (TEM). We found that DBA and DCNA nanowires emitted green light rather than blue light for molecules in THF solution. The red-shift UV and fluorescent spectra of DBA and DCNA nanowires implied that these nanowires were formed through J-aggregation. The photoconducting study of DBA/DCNA nanowire-based network on rGO/SiO2/Si shows different photocurrent behaviors upon irradiation, which displayed that electron transfer from DCNA nanowire to rGO was stronger than that of DBA nanowires to rGO.Organic nanowires of 9,10-dibromoanthracene (DBA) and 9,10-dicyanoanthracene (DCNA) were obtained by adding the THF solution of DBA/DCNA into water containing P123 surfactants. The as-prepared nanowires were characterized by UV-vis, fluorescence spectra, Field Emission Scanning Electron Microscopy (FESEM), and Transmission Electron Microscopy (TEM). We found that DBA and DCNA nanowires emitted green light rather than blue light for molecules in THF solution. The red-shift UV and fluorescent spectra of DBA and DCNA nanowires implied that these nanowires were formed through J-aggregation. The photoconducting study of DBA/DCNA nanowire-based network on rGO/SiO2/Si shows different photocurrent behaviors upon irradiation, which displayed that electron transfer from DCNA nanowire to rGO was stronger than that of DBA nanowires to rGO. Electronic supplementary information (ESI) available: XRD patterns and simulations, and FT-IR spectra. CCDC reference numbers 840471. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c1nr10655d

Preparation, characterization, and antibacterial activity of silver nanoparticle-decorated graphene oxide nanocomposite.

PubMed

Shao, Wei; Liu, Xiufeng; Min, Huihua; Dong, Guanghui; Feng, Qingyuan; Zuo, Songlin

2015-04-01

In this work, we report a facile and green approach to prepare a uniform silver nanoparticles (AgNPs) decorated graphene oxide (GO) nanocomposite (GO-Ag). The nanocomposite was fully characterized by transmission electron microscopy (TEM), Fourier transform infrared (FTIR) spectra, ultraviolet-visible (UV-vis) absorption spectra, and X-ray photoelectron spectroscopy (XPS), which demonstrated that AgNPs with a diameter of approximately 22 nm were uniformly and compactly deposited on GO. To investigate the silver ion release behaviors, HEPES buffers with different pH (5.5, 7, and 8.5) were selected and the mechanism of release actions was discussed in detail. The cytotoxicity of GO-Ag nanocomposite was also studied using HEK 293 cells. GO-Ag nanocomposite displayed good cytocompatibility. Furthermore, the antibacterial properties of GO-Ag nanocomposite were studied using Gram-negative E. coli ATCC 25922 and Gram-positive S. aureus ATCC 6538 by both the plate count method and disk diffusion method. The nanocomposite showed excellent antibacterial activity. These results demonstrated that GO-Ag nanocomposite, as a kind of antibacterial material, had a great promise for application in a wide range of biomedical applications.

Effect of laser UV radiation on the eye scleral tissue in patients with open-angle glaucoma

NASA Astrophysics Data System (ADS)

Razhev, A. M.; Iskakov, I. A.; Churkin, D. S.; Orishich, A. M.; Maslov, N. A.; Tsibul'skaya, E. O.; Lomzov, A. A.; Ermakova, O. V.; Trunov, A. N.; Chernykh, V. V.

2018-05-01

We report the results of an experimental study of the effect of short-pulse laser UV radiation on the eye scleral tissue. As samples, we used isolated flaps of the eye scleral tissue from the patients with open-angle glaucoma of the second and third stages. The impact was implemented using the radiation of an excimer XeCl laser with a wavelength of 308 nm and a laser with a wavelength tunable within from 210 to 355 nm. Depending on the problem to be solved, the energy density on the surface of the irradiated tissue varied from a fraction of mJ cm-2 to 15 J cm-2. For the first time we studied the optical properties of the intraocular fluid in the UV and blue spectral range. The study of the ablation process under the action of radiation with a wavelength of 308 nm showed that the rate of material evaporation can vary within 24%–30% at an energy density above 7 J cm-2, depending on the glaucoma stage and the individual features of a patient. The excitation–emission matrices of laser-induced fluorescence (LIF) of the eye scleral tissue were studied experimentally using a laser with a wavelength tuned in the range 210–355 nm. We found the differences in the LIF spectra caused by the excitation wavelength and the openangle glaucoma stage.

Comparison of UV-B measurements performed with a Brewer spectrophotometer and a new UVB-1 broad band detector

NASA Technical Reports Server (NTRS)

Bais, Alkiviadis F.; Zerefos, Christos S.; Meleti, Charicleia; Ziomas, Ioannis C.

1994-01-01

Measurements of the UV-B erythemal dose, based on solar spectra acquired with a Brewer spectrophotometer at Thessaloniki, Greece, are compared to measurements performed with the recently introduced, by the Yankee Environmental Systems, (Robertson type) broad band solar UV-B detector. The spectral response function of this detector, when applied to the Brewer spectral UV-B measurements, results in remarkably comparable estimates of the erythemal UV-B dose. The two instruments provide similar information on the UV-B dose when they are cross-examined under a variety of meteorological and atmospheric conditions and over the a large range of solar zenith angles and total ozone.

A novel combined approach of diffuse reflectance UV-Vis-NIR spectroscopy and multivariate analysis for non-destructive examination of blue ballpoint pen inks in forensic application.

PubMed

Kumar, Raj; Sharma, Vishal

2017-03-15

The present research is focused on the analysis of writing inks using destructive UV-Vis spectroscopy (dissolution of ink by the solvent) and non-destructive diffuse reflectance UV-Vis-NIR spectroscopy along with Chemometrics. Fifty seven samples of blue ballpoint pen inks were analyzed under optimum conditions to determine the differences in spectral features of inks among same and different manufacturers. Normalization was performed on the spectroscopic data before chemometric analysis. Principal Component Analysis (PCA) and K-mean cluster analysis were used on the data to ascertain whether the blue ballpoint pen inks could be differentiated by their UV-Vis/UV-Vis NIR spectra. The discriminating power is calculated by qualitative analysis by the visual comparison of the spectra (absorbance peaks), produced by the destructive and non-destructive methods. In the latter two methods, the pairwise comparison is made by incorporating the clustering method. It is found that chemometric method provides better discriminating power (98.72% and 99.46%, in destructive and non-destructive, respectively) in comparison to the qualitative analysis (69.67%). Copyright © 2016 Elsevier B.V. All rights reserved.

Free Radical Scavenging Activity of Drops and Spray Containing Propolis-An EPR Examination.

PubMed

Olczyk, Pawel; Komosinska-Vassev, Katarzyna; Ramos, Pawel; Mencner, Lukasz; Olczyk, Krystyna; Pilawa, Barbara

2017-01-13

The influence of heating at a temperature of 50 °C and UV-irradiation of propolis drops and spray on their free radical scavenging activity was determined. The kinetics of interactions of the propolis samples with DPPH free radicals was analyzed. Interactions of propolis drops and propolis spray with free radicals were examined by electron paramagnetic resonance spectroscopy. A spectrometer generating microwaves of 9.3 GHz frequency was used. The EPR spectra of the model DPPH free radicals were compared with the EPR spectra of DPPH in contact with the tested propolis samples. The antioxidative activity of propolis drops and propolis spray decreased after heating at the temperature of 50 °C. A UV-irradiated sample of propolis drops more weakly scavenged free radicals than an untreated sample. The antioxidative activity of propolis spray increased after UV-irradiation. The sample of propolis drops heated at the temperature of 50 °C quenched free radicals faster than the unheated sample. UV-irradiation weakly changed the kinetics of propolis drops or spray interactions with free radicals. EPR analysis indicated that propolis drops and spray should not be stored at a temperature of 50 °C. Propolis drops should not be exposed to UV-irradiation.

Geographic identification of Boletus mushrooms by data fusion of FT-IR and UV spectroscopies combined with multivariate statistical analysis

NASA Astrophysics Data System (ADS)

Yao, Sen; Li, Tao; Li, JieQing; Liu, HongGao; Wang, YuanZhong

2018-06-01

Boletus griseus and Boletus edulis are two well-known wild-grown edible mushrooms which have high nutrition, delicious flavor and high economic value distributing in Yunnan Province. In this study, a rapid method using Fourier transform infrared (FT-IR) and ultraviolet (UV) spectroscopies coupled with data fusion was established for the discrimination of Boletus mushrooms from seven different geographical origins with pattern recognition method. Initially, the spectra of 332 mushroom samples obtained from the two spectroscopic techniques were analyzed individually and then the classification performance based on data fusion strategy was investigated. Meanwhile, the latent variables (LVs) of FT-IR and UV spectra were extracted by partial least square discriminant analysis (PLS-DA) and two datasets were concatenated into a new matrix for data fusion. Then, the fusion matrix was further analyzed by support vector machine (SVM). Compared with single spectroscopic technique, data fusion strategy can improve the classification performance effectively. In particular, the accuracy of correct classification of SVM model in training and test sets were 99.10% and 100.00%, respectively. The results demonstrated that data fusion of FT-IR and UV spectra can provide higher synergic effect for the discrimination of different geographical origins of Boletus mushrooms, which may be benefit for further authentication and quality assessment of edible mushrooms.

Hybrid hard- and soft-modeling of spectrophotometric data for monitoring of ciprofloxacin and its main photodegradation products at different pH values

NASA Astrophysics Data System (ADS)

Razuc, Mariela; Garrido, Mariano; Caro, Yamile S.; Teglia, Carla M.; Goicoechea, Héctor C.; Fernández Band, Beatriz S.

2013-04-01

A simple and fast on line spectrophotometric method combined with a hybrid hard-soft modeling multivariate curve resolution (HS-MCR) was proposed for the monitoring of photodegradation reaction of ciprofloxacin under UV radiation. The studied conditions attempt to emulate the effect of sunlight on these antibiotics that could be eventually present in the environment. The continuous flow system made it possible to study the ciprofloxacin degradation at different pH values almost at real time, avoiding errors that could arise from typical batch monitoring of the reaction. On the base of a concentration profiles obtained by previous pure soft-modeling approach, reaction pathways have been proposed for the parent compound and its photoproducts at different pH values. These kinetic models were used as a constraint in the HS-MCR analysis. The kinetic profiles and the corresponding pure response profile (UV-Vis spectra) of ciprofloxacin and its main degradation products were recovered after the application of HS-MCR analysis to the spectra recorded throughout the reaction. The observed behavior showed a good agreement with the photodegradation studies reported in the bibliography. Accordingly, the photodegradation reaction was studied by high performance liquid chromatography coupled with UV-Vis diode array detector (HPLC-DAD). The spectra recorded during the chromatographic analysis present a good correlation with the ones recovered by UV-Vis/HS-MCR method.

Geographic identification of Boletus mushrooms by data fusion of FT-IR and UV spectroscopies combined with multivariate statistical analysis.

PubMed

Yao, Sen; Li, Tao; Li, JieQing; Liu, HongGao; Wang, YuanZhong

2018-06-05

Boletus griseus and Boletus edulis are two well-known wild-grown edible mushrooms which have high nutrition, delicious flavor and high economic value distributing in Yunnan Province. In this study, a rapid method using Fourier transform infrared (FT-IR) and ultraviolet (UV) spectroscopies coupled with data fusion was established for the discrimination of Boletus mushrooms from seven different geographical origins with pattern recognition method. Initially, the spectra of 332 mushroom samples obtained from the two spectroscopic techniques were analyzed individually and then the classification performance based on data fusion strategy was investigated. Meanwhile, the latent variables (LVs) of FT-IR and UV spectra were extracted by partial least square discriminant analysis (PLS-DA) and two datasets were concatenated into a new matrix for data fusion. Then, the fusion matrix was further analyzed by support vector machine (SVM). Compared with single spectroscopic technique, data fusion strategy can improve the classification performance effectively. In particular, the accuracy of correct classification of SVM model in training and test sets were 99.10% and 100.00%, respectively. The results demonstrated that data fusion of FT-IR and UV spectra can provide higher synergic effect for the discrimination of different geographical origins of Boletus mushrooms, which may be benefit for further authentication and quality assessment of edible mushrooms. Copyright © 2018 Elsevier B.V. All rights reserved.

Skylab

NASA Image and Video Library

1972-01-01

This chart details Skylab's Ultraviolet (UV) X-Ray Solar Photography experiment (S020) in an Apollo Telescope Mount facility. It was designed to photograph normal and explosive areas within the solar atmosphere in the UV and x-ray spectra. The Marshall Space Flight Center had program management responsibility for the development of Skylab hardware and experiments.

Constraining Galaxy Evolution With Hubble's Next Generation Spectral Library

NASA Astrophysics Data System (ADS)

Heap, S.; Lindler, D. J.

2009-03-01

We present Hubble's Next Generation Spectral Library, a library of UV-optical spectra (0.2-1.0 μ) of 378 stars. We show that the mid-UV spectrum can be used to constrain the ages and metallicities of high-redshift galaxies presently being observed with large, ground-based telescopes.

Point-of-use water disinfection using ultraviolet and visible light-emitting diodes.

PubMed

Lui, Gough Yumu; Roser, David; Corkish, Richard; Ashbolt, Nicholas J; Stuetz, Richard

2016-05-15

Improvements in point-of-use (POU) drinking water disinfection technologies for remote and regional communities are urgently needed. Conceptually, UV-C light-emitting diodes (LEDs) overcome many drawbacks of low-pressure mercury tube based UV devices, and UV-A or visible light LEDs also show potential. To realistically evaluate the promise of LED disinfection, our study assessed the performance of a model 1.3 L reactor, similar in size to solar disinfection bottles. In all, 12 different commercial or semi-commercial LED arrays (270-740 nm) were compared for their ability to inactivate Escherichia coli K12 ATCC W3110 and Enterococcus faecalis ATCC 19433 over 6h. Five log10 and greater reductions were consistently achieved using the 270, 365, 385 and 405 nm arrays. The output of the 310 nm array was insufficient for useful disinfection while 430 and 455 nm performance was marginal (≈ 4.2 and 2.3-log10s E. coli and E. faecalis over the 6h). No significant disinfection was observed with the 525, 590, 623, 660 and 740 nm arrays. Delays in log-phase inactivation of E. coli were observed, particularly with UV-A wavelengths. The radiation doses required for >3-log10 reduction of E. coli and E. faecalis differed by 10 fold at 270 nm but only 1.5-2.5 fold at 365-455 nm. Action spectra, consistent with the literature, were observed with both indicators. The design process revealed cost and technical constraints pertaining to LED electrical efficiency, availability and lifetime. We concluded that POU LED disinfection using existing LED technology is already technically possible. UV-C LEDs offer speed and energy demand advantages, while UV-A/violet units are safer. Both approaches still require further costing and engineering development. Our study provides data needed for such work. Copyright © 2016 Elsevier B.V. All rights reserved.

Precise Wavelengths and Energy Levels for the Spectra of Cr I, Mn I, and Mn III, and Branching Fractions for the Spectra of Fe II and Cr II

NASA Astrophysics Data System (ADS)

Nave, Gillian

I propose to measure wavelengths and energy levels for the spectra of Cr I, Mn I, and Mn III covering the wavelength range 80 nm to 5500 nm, and oscillator strengths for Fe II and Cr II in the region 120 nm to 2500 nm. I shall also produce intensity calibrated atlases and linelists of the iron-neon and chromium-neon hollow cathode lamps that can be compared with astrophysical spectra. The spectra will be obtained from archival data from spectrometers at NIST and Kitt Peak National Observatory and additional experimental observations as necessary from Fourier transform (FT) and grating spectrometers at NIST. The wavelength uncertainty of the strong lines will be better than 1 part in 10^7. The radiometric calibration of the spectra will be improved in order to reduce the uncertainty of measured oscillator strengths in the near UV region and extend the wavelength range of these measurements down to 120 nm. These will complement and support the measurements of lifetimes and branching fractions by J. E. Lawler in the near UV region. An intensive effort by NIST and Imperial College London that was partly funded by previous NASA awards has resulted in comprehensive analyses of the spectra of Fe II, Cr II and Cu II, with similar analyses of Mn II, Ni II, and Sc II underway. The species included in this proposal will complete the analysis of the first two ionization stages of the elements titanium through nickel using the same techniques, and add the spectrum of Mn III - one of the most important doubly-ionized elements. The elements Cr I and Mn I give large numbers of spectral lines in spectra of cool stars and important absorption lines in the interstellar medium. The spectrum of Mn III is important in chemically peculiar stars and can often only be studied in the UV region. Analyses of many stellar spectra depend on comprehensive analyses of iron-group elements and are hampered by incomplete spectroscopic data. As a result of many decades of work by the group at the University of WisconsinMadison (UW) accurate lifetimes exist for many of the most important levels of the irongroup elements needed for the interpretation of astrophysical spectra. The accuracy of the oscillator strengths is now limited by the accuracy of the branching fractions, particularly when the branches from an upper level span a wide wavelength range that requires multiple calibration lamps. A laser-driven light source as a calibration lamp will reduce the calibration uncertainty in the UV region. Our FT and grating spectrometers will be used to extend the wavelength region of the measurements from 120 nm to 2500 nm. Fe II and Cr II give thousands of lines in the UV stellar spectra but accurate oscillator strengths are available only for a few hundred in each species. Many lines remain unidentified in the laboratory spectra of Fe/Ne and Cr/Ne hollow cathode lamps that correspond to lines in stellar spectra. The proposed atlases and linelists of these lamps will assist astronomers in confirming the species of these spectra lines and help them to identify lines of other elements in stellar spectra that are not blended with iron or chromium lines. These measurements will be of importance in interpreting spectra obtained from many current and future NASA missions including the Hubble Space Telescope, the James Webb Space Telescope and SOFIA. They will be particularly important in the analysis of spectra from the ASTRAL project - a large HST Treasury program that recorded the spectra of 29 bright and characteristic stars at high resolution and high signal-to-noise ratio. They will also be important for the interpretation of spectra from ground-based optical and infrared spectrographs. The proposed work thus supports the NASA Objective to explore the universe to understand its origin, structure, evolution and destiny

Online spectral fit tool (OSFT) for analyzing reflectance spectra

NASA Astrophysics Data System (ADS)

Penttilä, A.; Kohout, T.; Muinonen, K.

2015-10-01

We present an algorithm and its implementation for fitting continuum and absorption bands to UV/VIS/NIR reflectance spectra. The implementation is done completely in JavaScript and HTML, and will run in any modern web browser without requiring external libraries to be installed.

Synthesis, spectroscopic investigation and theoretical studies of 2-((E)-(2-(2-cyanoacetyl)hydrazono)methyl)-4-((E)-phenyldiazenyl)phenyl methyl carbonate

NASA Astrophysics Data System (ADS)

Arokiasamy, A.; Manikandan, G.; Thanikachalam, V.; Gokula Krishnan, K.

2017-04-01

Synthesis and computational optimization studies have been carried out by Hartree-Fock (HF) and Density Functional Theory (DFT-B3LYP) methods with 6-31+G(d, p) basis set for 2-((E)-(2-(2-cyanoacetyl)hydrazono)methyl)-4-((E)-phenyldiazenyl)phenyl methyl carbonate (CHPMC). The stable configuration of CHPMC was confirmed theoretically by potential energy surface scan analysis. The complete vibrational assignments were performed on the basis of total energy distribution (TED) analysis. The vibrational properties studied by IR and Raman spectroscopic data complemented by quantum chemical calculations support the formation of intramolecular hydrogen bond. Furthermore, the UV-Vis spectra are interpreted in terms of TD-DFT quantum chemical calculations. The shapes of the simulated absorption spectra are in good agreement with the experimental data. The comparison between the experimental and theoretical values of FT-IR, FT-Raman vibrational spectra, NMR (1H and 13C) and UV-Vis spectra have also been discussed.

Far-UV, visible, and near-IR reflectance spectra of frosts of H2O, CO2, NH3 and SO2

NASA Technical Reports Server (NTRS)

Hapke, B.; Wells, E.; Wagner, J.; Partlow, W.

1981-01-01

Measurements in the 0.1-2.5 micron range are presented for the reflectance spectra of the frosts of several volatiles pertinent to the study of comet nuclei. The frost spectra have distinctive features permitting their identification by spectroscopic reflectance remote sensing, notably in the far UV. It is found that: (1) H2O has a minimum at 0.16 microns and a maximum at 0.13 microns; (2) CO2 has minima near 0.21, 0.18 and 0.125 microns, with maxima at 0.19, 0.135 and 0.120 microns; (3) NH3 is bright at wavelengths longer than 0.21 microns, where reflectance drops to a value of only a few per cent at shorter wavelengths; (4) SO2 has a sharp drop at 0.32 microns, with a minimum at 0.18 microns and a maximum at 0.13 microns. The features in the frost spectra largely correspond to absorption line bands in the gas phase.

Molecular structure, natural bond analysis, vibrational and electronic spectra, surface enhanced Raman scattering and Mulliken atomic charges of the normal modes of [Mn(DDTC)2] complex.

PubMed

Téllez S, Claudio A; Costa, Anilton C; Mondragón, M A; Ferreira, Glaucio B; Versiane, O; Rangel, J L; Lima, G Müller; Martin, A A

2016-12-05

Theoretical and experimental bands have been assigned for the Fourier Transform Infrared and Raman spectra of the bis(diethyldithiocarbamate)Mn(II) complex, [Mn(DDTC)2]. The calculations have been based on the DFT/B3LYP method, second derivative spectra and band deconvolution analysis. The UV-vis experimental spectra were measured in acetonitrile solution, and the calculated electronic spectrum was obtained using the TD/B3LYP method with 6-311G(d, p) basis set for all atoms. Charge transfer bands and those d-d spin forbidden were assigned in the UV-vis spectrum. The natural bond orbital analysis was carried out using the DFT/B3LYP method and the Mn(II) hybridization leading to the planar geometry of the framework was discussed. Surface enhanced Raman scattering (SERS) was also performed. Mulliken charges of the normal modes were obtained and related to the SERS enhanced bands. Copyright © 2016 Elsevier B.V. All rights reserved.

Structure and reactivity of thiazolium azo dyes: UV-visible, resonance Raman, NMR, and computational studies of the reaction mechanism in alkaline solution.

PubMed

Abbott, Laurence C; Batchelor, Stephen N; Moore, John N

2013-03-07

UV-visible absorption, resonance Raman, and (1)H NMR spectroscopy, allied with density functional theory (DFT) calculations, have been used to study the structure, bonding, and alkaline hydrolysis mechanism of the cationic thiazloium azo dye, 2-[2-[4-(diethylamino)phenyl]diazenyl]-3-methyl-thiazolium (1a), along with a series of six related dyes with different 4-dialkylamino groups and/or other phenyl ring substituents (2a-c, 3a-c) and the related isothiazolium azo dye, 5-[2-[4-(dimethylamino)phenyl]diazenyl]-2-methyl-isothiazolium (4). These diazahemicyanine dyes are calculated to have a similar low-energy structure that is cis, trans at the (iso)thiazolium-azo group, and for which the calculated Raman spectra provide a good match with the experimental data; the calculations on these structures are used to assign and discuss the transitions giving rise to the experimental spectra, and to consider the bonding and its variation between the dyes. UV-visible, Raman, and NMR spectra recorded from minutes to several weeks after raising the pH of an aqueous solution of 1a to ca. 11.5 show that the dominant initial step in the reaction is loss of diethylamine to produce a quinonimine (ca. hours), with subsequent reactions occurring on longer time scales (ca. days to weeks); kinetic analyses give a rate constant of 2.6 × 10(-2) dm(3) mol(-1) s(-1) for reaction of 1a with OH(-). UV-visible spectra recorded on raising the pH of the other dyes in solution show similar changes that are attributed to the same general reaction mechanism, but with different rate constants for which the dependence on structure is discussed.

A new Schiff base compound N,N'-(2,2-dimetylpropane)-bis(dihydroxylacetophenone): synthesis, experimental and theoretical studies on its crystal structure, FTIR, UV-visible, 1H NMR and 13C NMR spectra.

PubMed

Saheb, Vahid; Sheikhshoaie, Iran

2011-10-15

The Schiff base compound, N,N'-(2,2-dimetylpropane)-bis(dihydroxylacetophenone) (NDHA) is synthesized through the condensation of 2-hydroxylacetophenone and 2,2-dimethyl 1,3-amino propane in methanol at ambient temperature. The yellow crystalline precipitate is used for X-ray single-crystal determination and measuring Fourier transform infrared (FTIR), UV-visible, (1)H NMR and (13)C NMR spectra. Electronic structure calculations at the B3LYP, PBEPBE and PW91PW91 levels of theory are performed to optimize the molecular geometry and to calculate the FTIR, (1)H NMR and (13)C NMR spectra of the compound. Time-dependent density functional theory (TDDFT) method is used to calculate the UV-visible spectrum of NDHA. Vibrational frequencies are determined experimentally and compared with those obtained theoretically. Vibrational assignments and analysis of the fundamental modes of the compound are also performed. All theoretical methods can well reproduce the structure of the compound. The (1)H NMR and (13)C NMR chemical shifts calculated by all DFT methods are consistent with the experimental data. However, the NMR shielding tensors computed at the B3LYP/6-31+G(d,p) level of theory are in better agreement with experimental (1)H NMR and (13)C NMR spectra. The electronic absorption spectrum calculated at the B3LYP/6-31+G(d,p) level by using TD-DFT method is in accordance with the observed UV-visible spectrum of NDHA. In addition, some quantum descriptors of the molecule are calculated and conformational analysis is performed and the results were compared with the crystallographic data. Copyright © 2011 Elsevier B.V. All rights reserved.

Synthesis of gold nanoparticles on the surface of pyrolytic graphite using penicillin as a stabilizing reagent and the catalytic oxidation of α-naphthylamine

NASA Astrophysics Data System (ADS)

Song, Y. Z.; Song, Y.; Cheng, Z. P.; Zhou, J. F.; Wei, C.

2013-01-01

Electrochemical synthesis of gold nanoparticles on the surface of pyrolytic graphite using penicillin as a stabilizing reagent was proposed. The gold nanoparticles were characterized by scanning electron microscopy, cyclic voltammetry, IR spectra, UV spectra, and powder X-ray diffraction spectra. The electro-chemical catalysis of penicillin for α-naphthylamine was demonstrated.

A UV resonance Raman (UVRR) spectroscopic study on the extractable compounds in Scots pine (Pinus sylvestris) wood. Part II. Hydrophilic compounds.

PubMed

Nuopponen, M; Willför, S; Jääskeläinen, A-S; Vuorinen, T

2004-11-01

Hydrophilic extracts of Scots pine (Pinus sylvestris) heartwood and sapwood and a solid Scots pine knotwood sample were studied by UV resonance Raman spectroscopy (UVRRS). In addition, UVRR spectra of two hydrophilic model compounds (pinosylvin and chrysin) were analysed. UV Raman spectra were collected using 244 and 257 nm excitation wavelengths. The chemical composition of the acetone:water (95:5 v/v) extracts were also determined by gas chromatography. The aromatic and oleophilic structures of pinosylvin and chrysin showed three intense resonance enhanced bands in the spectral region of 1649-1548 cm(-1). Pinosylvin showed also a relatively intense band in the aromatic substitution region at 996 cm(-1). The spectra of the heartwood acetone:water extract showed many bands typical of pinosylvin. In addition, the extract included bands distinctive for resin and fatty acids. The sapwood acetone:water extract showed bands due to oleophilic structures at 1655-1650 cm(-1). The extract probably also contained oligomeric lignans because the UVRR spectra were in parts similar to that of guaiacyl lignin. The characteristic band of pinosylvin (996 cm(-1)) was detected in the UVRR spectrum of the resin rich knotwood. In addition, several other bands typical for wood resin were observed, which indicated that the wood resin in the knotwood was resonance enhanced even more than lignin.

A UV resonance Raman (UVRR) spectroscopic study on the extractable compounds in Scots pine ( Pinus sylvestris) wood . Part II. Hydrophilic compounds

NASA Astrophysics Data System (ADS)

Nuopponen, M.; Willför, S.; Jääskeläinen, A.-S.; Vuorinen, T.

2004-11-01

Hydrophilic extracts of Scots pine ( Pinus sylvestris) heartwood and sapwood and a solid Scots pine knotwood sample were studied by UV resonance Raman spectroscopy (UVRRS). In addition, UVRR spectra of two hydrophilic model compounds (pinosylvin and chrysin) were analysed. UV Raman spectra were collected using 244 and 257 nm excitation wavelengths. The chemical composition of the acetone:water (95:5 v/v) extracts were also determined by gas chromatography. The aromatic and oleophilic structures of pinosylvin and chrysin showed three intense resonance enhanced bands in the spectral region of 1649-1548 cm -1. Pinosylvin showed also a relatively intense band in the aromatic substitution region at 996 cm -1. The spectra of the heartwood acetone:water extract showed many bands typical of pinosylvin. In addition, the extract included bands distinctive for resin and fatty acids. The sapwood acetone:water extract showed bands due to oleophilic structures at 1655-1650 cm -1. The extract probably also contained oligomeric lignans because the UVRR spectra were in parts similar to that of guaiacyl lignin. The characteristic band of pinosylvin (996 cm -1) was detected in the UVRR spectrum of the resin rich knotwood. In addition, several other bands typical for wood resin were observed, which indicated that the wood resin in the knotwood was resonance enhanced even more than lignin.

Photochemical isomerizations of thiosemicarbazide, a matrix isolation study.

PubMed

Rostkowska, Hanna; Lapinski, Leszek; Kozankiewicz, Boleslaw; Nowak, Maciej J

2012-10-11

Two thione conformers of monomeric thiosemicarbazide were trapped from the gas phase into a low-temperature Ar matrix. A phototransformation converting the less stable form of the compound into the most stable conformer was induced by irradiation with near-IR (λ = 1462 nm) or UV (λ > 320 nm) light. This photoeffect allowed separation of the IR spectra of the observed thione forms. The structures of both observed isomers were identified by comparison of the separated experimental IR spectra with the spectra theoretically predicted for two most stable forms of the compound. The population ratio of the two conformers in an Ar matrix, prior to any irradiation, was estimated to be equal ≈2:1. Irradiation of matrix-isolated thiosemicarbazide with shorter-wavelength UV (λ > 270 nm) light induced a phototautomeric reaction generating thiol forms of the compound.

Reduction of the 3,4,9,10-perylenediimides and the formation of eletrodeposited films based on their radical anions

NASA Astrophysics Data System (ADS)

Zhu, Yuan-Yuan; Gu, Shuang-Xi

2014-09-01

The reduction of the two 3,4,9,10-perylene diimide (PDI) derivatives in the mixture of hydrazine hydrate and N,N-dimethylformamide was investigated by the UV-vis absorption spectra, fluorescence spectra (FL) and electron spin resonance spectroscopy (ESR). The time dependence of the PDI content, as well as the structure of PDI aggregates were also investigated and discussed. Combining the electro-migration behavior of PDI-· with the molecular self-assembly properties, the films of two PDI derivatives (PDI-32 and PDI-123) were successfully fabricated via anode electro-deposition (AED). The difference of aggregation state between the two PDI films was studied by UV-vis absorption spectra, XRD and SEM. Based on these, the formation mechanism of PDI films was also deduced.

Reanalysis of Mariner 9 UV spectrometer data for ozone, cloud, and dust abundances, and their interaction over climate timescales

NASA Technical Reports Server (NTRS)

Lindner, Bernhard Lee

1992-01-01

Research activities to date are discussed. Selected Mariner 9 UV spectra were obtained. Radiative transfer models were updated and then exercised to simulate spectra. Simulated and observed spectra compare favorably. It is noted that large amounts of ozone are currently not retrieved with reflectance spectroscopy, raising large doubts about earlier published ozone abundances. As these published abundances have been used as a benchmark for all theoretical photochemical models of Mars, this deserves further exploration. Three manuscripts were published, and one is in review. Papers were presented and published at three conferences, and are planned for five more conferences in the next six months. The research plan for the next reporting period is discussed and involves continuing studies of reflectance spectroscopy, further examination of Mariner 9 data, and climate change studies of ozone.

Consequences for sun protection factors when solar simulator spectra deviate from the spectrum of the sun.

PubMed

Uhlmann, B; Mann, T; Gers-Barlag, H; Alert, D; Sauermann, G

1996-02-01

Synopsis The sun protection factor (SPF) of two products, one with an expected SPF of 4 and another with an expected SPF of 15 were determined, using two solar simulators: Multiport Solar UV Simulator (xenon, Solar Light, Philadelphia, PA, USA), and Supersun 5000 (metal halide, Mutzhas, Munich, Germany). The mean SPFs using the Multiport were: 4.8 for the low SPF product and 19.4 for the high SPF one. The results using the Supersun were lower: 2.6 for the low SPF product and 7.2 for the high SPF one. Relative emission spectra of the two sources were recorded using a fluorescence spectrophotometer in bioluminescence mode. Efficacy spectra were calculated and compared with the corresponding spectrum of natural sunlight. It was evident that the spectral power of the xenon source is too high in the UVB, leading to overestimation of SPFs, whereas the Supersun irradiator emits too much in the UVA, resulting in too low SPFs. Heat effects and photodegradation of UV filters are discussed as further possible reasons for the discrepancies between the experimentally determined SPFs. Our results confirm a recent publication about theoretical SPFs, calculated with emission spectra of a xenon source and spectra of the sun at different elevation angles, where the authors provide evidence that in natural sunlight the contribution of UVA to total UV radiation is twice as high as in a xenon source. This may contribute to an understanding of why sunscreens tested according to the FDA method (xenon sources) often yield higher SPFs than those obtained from European testing procedures.

VizieR Online Data Catalog: Spectra of a Holmium in the near-UV. I. Ho I. (Al-Labady+, 2017)

NASA Astrophysics Data System (ADS)

Al-Labady, N.; Ozdalgic, B.; Er, A.; Guzelcimen, F.; Ozturk, I. K.; Kroger, S.; Kruzins, A.; Tamanis, M.; Ferber, R.; Basar, G.

2017-04-01

The high-resolution spectra of Holmium (Ho) were recorded with a Fourier Transform spectrometer IFS125 HR at the Laser Centre of the University of Latvia in Riga. Two Ho spectra were recorded, one with argon (Ar) as a buffer gas and one with neon (Ne). The spectra cover the ultraviolet spectral range from 25000 up to 31530cm-1, or 317 to 400nm, respectively. (1 data file).

Chemistry WebBook

National Institute of Standards and Technology Data Gateway

SRD 69 NIST Chemistry WebBook (Web, free access)   The NIST Chemistry WebBook contains: Thermochemical data for over 7000 organic and small inorganic compounds; thermochemistry data for over 8000 reactions; IR spectra for over 16,000 compounds; mass spectra for over 33,000 compounds; UV/Vis spectra for over 1600 compounds; electronic and vibrational spectra for over 5000 compounds; constants of diatomic molecules(spectroscopic data) for over 600 compounds; ion energetics data for over 16,000 compounds; thermophysical property data for 74 fluids.

[Study on molecular recognition technology in active constituents extracted and isolated from Aconitum pendulum].

PubMed

Ma, Xue-Qin; Li, Guo-Shan; Fu, Xue-Yan; Ma, Jing-Zu

2011-03-01

To investigate CD molecular recognition technology applied in active constituents extracted and isolated from traditional Chinese medicine--Aconitum pendulum. The inclusion constant and form probability of the inclusion complex of Aconitum pendulum with p-CD was calculated by UV spectra method. The active constituents of Aconitum pendulum were extracted and isolated by molecular recognition technology. The inclusion complex was identified by UV. The chemical constituents of Aconitum pendulum and inclusion complex was determined by HPLC. The analgesic effects of inclusion complex was investigated by experiment of intraperitoneal injection of acetic acid in rats. The inclusion complex was identified and confirmed by UV spectra method, the chemical components of inclusion complex were simple, and the content of active constituents increased significantly, the analgesic effects of inclusion complex was well. The molecular recognition technology can be used for extracting and isolating active constituents of Aconitum pendulum, and the effects are obvious.

Spectral synthesis in the ultraviolet. II - Stellar populations and star formation in blue compact galaxies

NASA Technical Reports Server (NTRS)

Fanelli, Michael N.; O'Connell, Robert W.; Thuan, Trinh X.

1988-01-01

An initial attempt to apply optimizing spectral synthesis techniques to the far-UV spectra of blue compact galaxies (BCGs) is presented. The far-UV absorption-line spectra of the galaxies are clearly composite, with the signatures of the main-sequence types between O3 and mid-A. Most of the low-ionization absorption lines have a stellar origin. The Si IV and C IV features in several objects have P Cygni profiles. In Haro I the strength of Si IV indicates a significant blue supergiant population. The metal-poor blue compact dwarf Mrk 209 displays weak absorption lines, evidence that the stellar component has the same low metallicity as observed in the ionized gas. Good fits to the data are obtained the technique of optimizing population synthesis. The solutions yield stellar luminosity functions which display large discontinuities, indicative of discrete star formation episodes or bursts. The amount of UV extinction is low.

Geographical identification of saffron (Crocus sativus L.) by linear discriminant analysis applied to the UV-visible spectra of aqueous extracts.

PubMed

D'Archivio, Angelo Antonio; Maggi, Maria Anna

2017-03-15

We attempted geographical classification of saffron using UV-visible spectroscopy, conventionally adopted for quality grading according to the ISO Normative 3632. We investigated 81 saffron samples produced in L'Aquila, Città della Pieve, Cascia, and Sardinia (Italy) and commercial products purchased in various supermarkets. Exploratory principal component analysis applied to the UV-vis spectra of saffron aqueous extracts revealed a clear differentiation of the samples belonging to different quality categories, but a poor separation according to the geographical origin of the spices. On the other hand, linear discriminant analysis based on 8 selected absorbance values, concentrated near 279, 305 and 328nm, allowed a good distinction of the spices coming from different sites. Under severe validation conditions (30% and 50% of saffron samples in the evaluation set), correct predictions were 85 and 83%, respectively. Copyright © 2016 Elsevier Ltd. All rights reserved.

Spectroscopic (vibrational, NMR and UV-vis.) and quantum chemical investigations on 4-hexyloxy-3-methoxybenzaldehyde.

PubMed

Abbas, Ashgar; Gökce, Halil; Bahçeli, Semiha

2016-01-05

In this study, the 4-hexyloxy-3-methoxybenzaldehyde compound as one of the derivatives of vanillin which is a well known flavoring agent, C14H20O3, has been investigated by experimentally and extensively utilizing density functional theory (DFT) at the B3LYP/6-311++G(d,p) level. In this context, the optimized geometry, vibrational frequencies, (1)H and (13)C NMR chemical shifts, UV-vis. (in gas phase and in methanol solvent) spectra, HOMO-LUMO analysis, molecular electrostatic potential (MEP), thermodynamic parameters and atomic charges of 4-hexyloxy-3-methoxybenzaldehyde have been calculated. In addition, theoretically predicted IR, Raman and UV-vis. (in gas phase and in methanol solvent) spectra of the mentioned molecule have been constructed. The results calculated were compared with the experimental data. Copyright © 2015 Elsevier B.V. All rights reserved.

Synthesis, structural characterization and tautomeric properties of some novel bis-azo dyes derived from 5-arylidene-2,4-thiazolidinone

NASA Astrophysics Data System (ADS)

Mohammadi, Asadollah; Safarnejad, Mastaneh

Nine new bis-azo dyes derived from 5-arylidene-2,4-thiazolidinone have been synthesized in two steps using Knoevenagel condensation and diazotization-coupling reaction. The structures of the compounds were confirmed by UV-vis, IR, 1H NMR and 13C NMR spectroscopic techniques. The spectral characterizations demonstrate that there is an equilibrium between the azo (T1) and hydrazine (T2 and T3) tautomers for all prepared dyes in solutions. In addition, the solvatochromic behavior of the prepared dyes was evaluated using polarity/polarizability parameter (π*) in various solvents. The UV-vis absorption spectra of dyes show a bathochromic shift with increasing polarity and base strength of the solvents. Finally, the effects of acid and base on the UV-vis absorption spectra of the dyes with different substituent in diazo component are reported.

Atomic Data for Stellar Astrophysics: from the UV to the IR

NASA Technical Reports Server (NTRS)

Wahlgren, Glenn M.

2011-01-01

The study of stars and stellar evolution relies heavily on the analysis of stellar spectra. The need for atomic line data from the ultraviolet (UV) to the infrared (lR) regions is greater now than ever. In the past twenty years, the time since the launch of the Hubble Space Telescope, great progress has been made in acquiring atomic data for UV transitions. The optical wavelength region, now expanded by progress in detector technology, continues to provide motivation for new atomic data. In addition, investments in new instrumentation for ground-based and space observatories has lead to the availability of high-quality spectra at IR wavelengths, where the need for atomic data is most critical. In this review, examples are provided of the progress made in generating atomic data for stellar studies, with a look to the future for addressing the accuracy and completeness of atomic data for anticipated needs.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Janeoo, Shashi; Sharma, Mamta, E-mail: mamta.phy85@gmail.com; Goswamy, J.

Polyaniline-indium oxide (In{sub 2}O{sub 3}/PANI) nanocomposite have been prepared by in-situ polymerization of aniline and as-synthesized In{sub 2}O{sub 3} nanoparticles. X-ray diffraction (XRD), Transmission electron microscopy (TEM), Fourier transformation infrared (FTIR) and UV/Vis spectroscopy techniques are used to investigate the structural and optical properties of In{sub 2}O{sub 3}/PANI nanocomposite. TEM analysis shows In{sub 2}O{sub 3} nanoparticles are embedded in PANI nanofibers. FTIR spectra show the good interactions between PANI nanofibers and In{sub 2}O{sub 3} nanoparticles. The band gap and electronic transitions in In{sub 2}O{sub 3}/PANI nanocomposite is determined by using UV/Vis spectra.

Effect of solution concentration on the structured order and optical properties of short-chain polyene biomolecules

NASA Astrophysics Data System (ADS)

Ouyang, Shunli; Sun, Chenglin; Zhou, Mi; Li, Dongfei; Wang, Weiwei; Qu, Guannan; Li, Zuowei; Gao, Shuqin; Yang, Jiange

2010-09-01

We have measured the Raman spectra and UV-Vis absorption spectra of linear polyene biomolecules (β-carotene and lycopene) in CS2 at low concentrations (10-6-10-10 mol/L). With decreasing concentration, all the carbon-carbon vibrations form a coherent mode in ordered β-carotene and lycopene due to extended π-conjugation that gives strong electron-phonon coupling, which leads to an anomalous experimental phenomenon. We observed an extremely high Raman scattering cross section( RSCS) and the Raman activities in β-carotene and lycopene are characterized by intensive overtones and combinations. Further, the UV-Vis absorption bands become narrower.

Preparation and characterization of Bi-doped TiO{sub 2} and its solar photocatalytic activity for the degradation of isoproturon herbicide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reddy, Police Anil Kumar; Srinivas, Basavaraju; Kala, Pruthu

Highlights: {yields} Visible active Bi-TiO{sub 2} photocatalyst preparation and thorough charaterization. {yields} Bi-TiO{sub 2} shows high activity for isoproturon degradation under solar light irradiation. {yields} The spectral response of TiO{sub 2} shifts from UV to visible light region by Bi doping. {yields} Bi{sup 3+{delta}+} species are playing a vital role in minimizing e{sup -}/h{sup +} recombination. -- Abstract: Bi-doped TiO{sub 2} catalyst was prepared by sol-gel method and was characterized by thermo gravimetric analysis (TGA), X-ray diffraction spectra (XRD), X-ray photo electronic spectroscopy (XPS), UV-Vis diffused reflectance spectra (DRS), photoluminescence spectra (PLS), transmission electron microscopy (TEM), energy dispersive analysis ofmore » X-rays (EDAX) and BET surface area. The photocatalytic activity of the catalysts were evaluated for the degradation of isoproturon herbicide under solar light irradiation. The UV-Visible DRS of Bi-doped TiO{sub 2} showed red shift in optical absorption. The presence of Bi{sup 3+{delta}+} species are playing a vital role in minimizing the electron hole recombination resulting higher activity compared to bare TiO{sub 2}.« less

Investigation of absorption spectra of Gafchromic EBT2 film's components and their impact on UVR dosimetry

NASA Astrophysics Data System (ADS)

Aydarous, Abdulkadir

2016-05-01

The absorption spectra of the EBT2 film's components were investigated in conjunction with its use for UVA dosimetry. The polyester (topside) and adhesive layers of the EBT2 film have been gently removed. Gafchromic™ EBT2 films with and without the protected layers (polyester and adhesive) were exposed to UVR of 365 nm for different durations. Thereafter, the UV-visible spectra were measured using a UV-visible spectrophotometer (Model Spectro Dual Split Beam, UVS-2700). Films were digitized using a Nikon CanoScan 9000F Mark II flatbed scanner. The dosimetric characteristics including film's uniformity, reproducibility and post-irradiation development were investigated. The color development of EBT2 and new modified EBT2 (EBT2-M) films irradiated with UVA was relatively stable (less than 1%) immediately after exposure. Based on this study, the sensitivity of EBT2 to UVR with wavelength between ~350 nm and ~390 nm can significantly be enhanced if the adhesive layer (~25 μm) is removed. The polyester layer plays almost no part on absorbing UVR with wavelength between ~320 nm and ~390 nm. Furthermore, various sensitivities for the EBT2-M film has been established depending on the wavelength of analysis.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Friesen, Brian; Baron, E.; Parrent, Jerod T.

This paper presents optical spectra of the nearby Type Ia supernova SN 2011fe at 100, 205, 311, 349 and 578 d post-maximum light, as well as an ultraviolet (UV) spectrum obtained with the Hubble Space Telescope at 360 d post-maximum light. We compare these observations with synthetic spectra produced with the radiative transfer code PHOENIX. The day +100 spectrum can be well fitted with models that neglect collisional and radiative data for forbidden lines. Curiously, including these data and recomputing the fit yields a quite similar spectrum, but with different combinations of lines forming some of the stronger features. Atmore » day +205 and later epochs, forbidden lines dominate much of the optical spectrum formation; however, our results indicate that recombination, not collisional excitation, is the most influential physical process driving spectrum formation at these late times. Consequently, our synthetic optical and UV spectra at all epochs presented here are formed almost exclusively through recombinationdriven fluorescence. Furthermore, our models suggest that the UV spectrum even as late as day +360 is optically thick and consists of permitted lines from several iron-peak species. These results indicate that the transition to the 'nebular' phase in Type Ia supernovae is complex and highly wavelength dependent.« less

Photocatalytic reactive oxygen species production and phototoxicity of titanium dioxide nanoparticles are dependent on the solar ultraviolet radiation spectrum.

PubMed

Ma, Hongbo; Brennan, Amanda; Diamond, Stephen A

2012-09-01

Generation of reactive oxygen species (ROS) by titanium dioxide nanoparticles (nano-TiO(2)) and its consequent phototoxicity to Daphnia magna were measured under different solar ultraviolet (UV) spectra by applying a series of optical filters in a solar simulator. Removing UV-B (280-320 nm) from solar radiation had no significant impact on photocatalytic ROS production of nano-TiO(2), whereas removal of UV-A (320-400 nm) decreased ROS production remarkably. Removal of wavelengths below 400 nm resulted in negligible ROS production. A linear correlation between ROS production and D. magna immobilization suggests that photocatalytic ROS production may be a predictor of phototoxicity for nano-TiO(2). Intracellular ROS production within D. magna was consistent with the immobilization of the organism under different solar UV spectra, indicating that oxidative stress was involved in phototoxicity. The dependence of nano-TiO(2) phototoxicity on environmentally realistic variations in solar radiation suggests that risk assessment of these nanomaterials requires careful evaluation of exposure conditions in the environment. Copyright © 2012 SETAC.

Vacancy-Rich Monolayer BiO2-x as a Highly Efficient UV, Visible, and Near-Infrared Responsive Photocatalyst.

PubMed

Li, Jun; Wu, Xiaoyong; Pan, Wenfeng; Zhang, Gaoke; Chen, Hong

2018-01-08

Vacancy-rich layered materials with good electron-transfer property are of great interest. Herein, a full-spectrum responsive vacancy-rich monolayer BiO 2-x has been synthesized. The increased density of states at the conduction band (CB) minimum in the monolayer BiO 2-x is responsible for the enhanced photon response and photo-absorption, which were confirmed by UV/Vis-NIR diffuse reflectance spectra (DRS) and photocurrent measurements. Compared to bulk BiO 2-x , monolayer BiO 2-x has exhibited enhanced photocatalytic performance for rhodamine B and phenol removal under UV, visible, and near-infrared light (NIR) irradiation, which can be attributed to the vacancy V Bi-O ''' as confirmed by the positron annihilation spectra. The presence of V Bi-O ''' defects in monolayer BiO 2-x promoted the separation of electrons and holes. This finding provides an atomic level understanding for developing highly efficient UV, visible, and NIR light responsive photocatalysts. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

New Insights into the Puzzling P-Cygni Profiles of Magnetic Massive Stars

NASA Astrophysics Data System (ADS)

Erba, Christiana; David-Uraz, Alexandre; Petit, Véronique; Owocki, Stanley P.

2017-11-01

Magnetic massive stars comprise approximately 10% of the total OB star population. Modern spectropolarimetry shows these stars host strong, stable, large-scale, often nearly dipolar surface magnetic fields of 1 kG or more. These global magnetic fields trap and deflect outflowing stellar wind material, forming an anisotropic magnetosphere that can be probed with wind-sensitive UV resonance lines. Recent HST UV spectra of NGC 1624-2, the most magnetic O star observed to date, show atypically unsaturated P-Cygni profiles in the Civ resonant doublet, as well as a distinct variation with rotational phase. We examine the effect of non-radial, magnetically-channeled wind outflow on P-Cygni line formation, using a Sobolev Exact Integration (SEI) approach for direct comparison with HST UV spectra of NGC 1624-2. We demonstrate that the addition of a magnetic field desaturates the absorption trough of the P-Cygni profiles, but further efforts are needed to fully account for the observed line profile variation. Our study thus provides a first step toward a broader understanding of how strong magnetic fields affect mass loss diagnostics from UV lines.

Intense Excitation Source of Blue-Green Laser.

DTIC Science & Technology

1985-10-15

plasma focus (DPF) can produce intense uv photons (200-300nm) which match the absorption spectra of both near uv and blue green dye lasers (300-400nm...existing blue green dye laser. On the other hand the dense- plasma focus (DPF) with new optical coupling has been designed and constructed. For the...optimization of the DPF device as the uv pumping light source, the velocity of current sheath and the formation of plasma focus have been measured as

Ultraviolet-Visible (UV-Vis) Microspectroscopic System Designed for the In Situ Characterization of the Dehydrogenation Reaction Over Platinum Supported Catalytic Microchannel Reactor.

PubMed

Suarnaba, Emee Grace Tabares; Lee, Yi Fuan; Yamada, Hiroshi; Tagawa, Tomohiko

2016-11-01

An ultraviolet visible (UV-Vis) microspectroscopic system was designed for the in situ characterization of the activity of the silica supported platinum (Pt) catalyst toward the dehydrogenation of 1-methyl-1,4-cyclohexadiene carried out in a custom-designed catalytic microreactor cell. The in situ catalytic microreactor cell (ICMC) with inlet/outlet ports was prepared using quartz cover as the optical window to facilitate UV-Vis observation. A fabricated thermometric stage was adapted to the UV-Vis microspectrophotometer to control the reaction temperature inside the ICMC. The spectra were collected by focusing the UV-Vis beam on a 30 × 30 µm area at the center of ICMC. At 393 K, the sequential measurement of the spectra recorded during the reaction exhibited a broad absorption peak with maximum absorbance at 260 nm that is characteristic for gaseous toluene. This result indicates that the silica supported Pt catalyst is active towards the dehydrogenation of 1-methyl-1,4-cyclohexadiene at the given experimental conditions. The onset of coke formation was also detected based on the appearance of absorption bands at 300 nm. The UV-Vis microspectroscopic system developed can be used further in studying the mechanism of the dehydrogenation reaction. © The Author(s) 2016.

Development of action levels for MED/MPD skin-testing units in ultraviolet phototherapy

NASA Astrophysics Data System (ADS)

O'Connor, Una M.; O'Hare, Neil J.

2003-03-01

Ultraviolet (UV) Phototherapy is commonly used for treatment of skin diseases such as psoriasis and eczema. Treatment is carried out using UV phototherapy units, exposing all or part of the body for a certain exposure time. Prior to exposure in treatment units, an unaffected area of skin may be tested using UV skin-testing units in order to determine a suitable treatment regime. The exposure time at which barely perceptible erythema has developed is known as the Minimal Erythemal Dose (MED) for UVB therapy and Minimal Phototoxic Dose (MPD) for UVA therapy. This is used to determine the starting dose in the treatment regime. The presence of 'hotspots' and 'coldspots' in UV skin-testing units can result in inaccurate determination of MED/MPD. This could give rise to severe burns during treatment, or in a sub-optimal dose regime being used. Quality assurance protocols for UV phototherapy equipment have recently been developed and these protocols have highlighted the need for action levels for skin-testing units. An action level is a reference value, which is used to determine whether the difference in irradiance output level across a UV unit is acceptable. Current methodologies for skin-testing in Ireland have been characterised and errors introduced during testing have been estimated. Action levels have been developed based on analysis of errors and requirements of skin-testing.

UV spectrophotometry for monitoring the performance of a yeast-based deoxygenation process to treat ships' ballast water.

PubMed

Veilleux, Éloïse; de Lafontaine, Yves; Thomas, Olivier

2016-04-01

This study assessed the usefulness of UV spectrophotometry for the monitoring of a yeast-based deoxygenation process proposed for ships' ballast water treatment to prevent the transfer of aquatic invasive species. Ten-day laboratory experiments using three treatment concentrations and different water types were conducted and resulted in complete oxygen depletion of treated waters. The treatment performance and quality of treated waters were determined by measuring the UV-visible absorbance spectra of water samples taken over time. Samples were also used for laboratory analysis of water quality properties. The UV absorbance spectra values were strongly correlated (r = 0.96) to yeast cell density in treated waters. The second-order derivative (D (2)) of the spectra varied greatly over time, and the spectrum profiles could be divided into two groups corresponding to the oxygenated and anoxic phases of the treatment. The D (2) value at 215 nm was strongly correlated (r = 0.94) to ammonia levels, which increased over time. The D (2) value at 225 nm was strongly correlated (r > 0.97) to DO concentration. Our results showed that UV spectrophotometry may provide a rapid assessment of the behavior and performance of the yeast bioreactor over time by quantifying (1) the density of yeast cells, (2) the time at which anoxic conditions were reached, and (3) a water quality index of the treated water related to the production of ammonia. We conclude that the rapidity of the technique confers a solid advantage over standard methods used for water quality analysis in laboratory and would permit the direct monitoring of the treatment performance on-board ships.

Mining the HST Treasury: The ASTRAL Reference Spectra for Evolved M Stars

NASA Technical Reports Server (NTRS)

Carpenter, K. G.; Ayres, T.; Harper, G.; Kober, G.; Wahlgren, G. M.

2012-01-01

The "Advanced Spectral Library (ASTRAL) Project: Cool Stars" (PI = T. Ayres) is an HST Cycle 18 Treasury Program designed to collect a definitive set of representative, high-resolution (R greater than 100,000) and high signal/noise (S/N greater than 100) UV spectra of eight F-M evolved cool stars. These extremely high-quality STIS UV echelle spectra are available from the HST archive and through the University of Colorado (http://casa.colorado.edu/ayres/ASTRAL/) portal and will enable investigations of a broad range of problems -- stellar, interstellar. and beyond -- for many years. In this current paper, we concentrate on producing a roadrnap to the very rich spectra of the two evolved M stars in the sample, the M3.4 giant Gamma Crucis (GaCrux) and the M2Iab supergiant Alpha Orionis (Betelgeuse) and illustrate the huge increase in coverage and quality that these spectra provide over that previously available from IUE and earlier HST observations. These roadmaps will facilitate the study of the spectra, outer atmospheres, and winds of not only these stars. but also numerous other cool, low-gravity stars and make a very interesting comparison to the already-available atlases of the K2III giant Arcturus.

Endonuclease from Micrococcus luteus Which Has Activity Toward Ultraviolet-Irradiated Deoxyribonucleic Acid: Its Action on Transforming Deoxyribonucleic Acid

PubMed Central

Setlow, R. B.; Setlow, Jane K.; Carrier, W. L.

1970-01-01

An endonuclease purified from Micrococcus luteus makes single-strand breaks in ultraviolet (UV)-irradiated, native deoxyribonucleic acid (DNA). The purified endonuclease is able to reactivate UV-inactivated transforming DNA of Haemophilus influenzae, especially when the DNA is assayed on a UV-sensitive mutant of H. influenzae. After extensive endonuclease action, there is a loss of transforming DNA when assayed on both UV-sensitive and -resistant cells. The endonuclease does not affect unirradiated DNA. The results indicate that the endonuclease function is involved in the repair of biological damage resulting from UV irradiation and that the UV-sensitive mutant is deficient in this step. We interpret the data as indicating that the various steps in the repair of DNA must be well coordinated if repair is to be effective. PMID:4314478

UV-induced changes in antioxidant capacities of selected carotenoids toward lecithin in aqueous solution

NASA Astrophysics Data System (ADS)

Cvetkovic, Dragan; Markovic, Dejan

2008-01-01

Antioxidant action of four selected carotenoids (two carotenes, β-carotene and lycopene, and two xanthophylls, lutein and neoxanthin) on UV-induced lecithin lipid peroxidation in aqueous solution has been studied by thiobarbituric acid (TBA) test. TBA test is based on absorbance measurements of complex formed between malondialdehyde, secondary product of lipid peroxidation and thiobarbituric acid, at 532 nm. The antioxidant capacities of investigated carotenoids appeared to be strongly affected by UV-action. High energy input of the involved UV-photons plays major governing role, though a certain impact of the carotenoid structures cannot be neglected. The results suggest a minor remained contribution of selected carotenoids to prevention of lecithin peroxidation in the studied system as a result of UV-irradiation.

UV Reflectance of Jupiter's Moon Europa and Asteroid (16) Psyche

NASA Astrophysics Data System (ADS)

Becker, T. M.; Retherford, K. D.; Roth, L.; Hendrix, A.; McGrath, M. A.; Cunningham, N.; Feaga, L. M.; Saur, J.; Elkins-Tanton, L. T.; Walhund, J. E.; Molyneux, P.

2017-12-01

Surface reflectance observations of solar system objects in the UV are not only complimentary to longer wavelength observations for identifying surface composition, but can also reveal new and meaningful information about the surfaces of those bodies. On Europa, far-UV (FUV) spectral observations made by the Hubble Space Telescope (HST) show that the surface lacks a strong water ice absorption edge near 165 nm, which is intriguing because such a band has been detected on most icy satellites. This may suggest that radiolytic processing by Jupiter's magnetosphere has altered the surface, causing absorption at wavelengths longward of the H2O edge, masking this feature. Additionally, the FUV spectra are blue (increasing albedo with shorter wavelengths), and regions that are observed to be dark in the visible appear bright in the FUV. This spectral inversion, also observed on the Moon and some asteroids, may provide insight into the properties of the surface material and how they are processed.We also explore the UV reflectance spectra of the main belt asteroid (16) Psyche. This asteroid is believed to be the metallic remnant core of a differentiated asteroid, stripped of its mantle through collisions. However, there is speculation that the asteroid could have formed as-is from highly reduced metal-rich material near the Sun early in the formation of the solar system. Further, spectral observations in the infrared have revealed pyroxene and hydroxyl on the asteroid's surface, complicating the interpretation that (16) Psyche is a pure metallic object. Laboratory studies indicate that there are diagnostic spectral features in the UV that could be useful for determining the surface composition. We obtained HST observations of Psyche from 160 - 300 nm. Preliminary results show a featureless, red-sloped spectrum, inconsistent with significant amounts of pyroxene on the surface. We will present the spectra of Europa and the asteroid (16) Psyche and discuss the unique details unveiled by studies of these objects in the UV.

The Ultraviolet Radiation Environment around M Dwarf Exoplanet Host Stars

NASA Technical Reports Server (NTRS)

France, Kevin; Froning, Cynthia S.; Linsky, Jeffrey L.; Roberge, Aki; Stocke, John T.; Tian, Feng; Bushinsky, Rachel; Desert, Jean-Michel; Mauas, Pablo; Mauas, Pablo;

Evaluation of erythemal UV effective irradiance from UV lamp exposure and the application in shield metal arc welding processing.

PubMed

Chang, Cheng-Ping; Liu, Hung-Hsin; Peng, Chiung-Yu; Fang, Hsin-Yu; Tsao, Ta-Ho; Lan, Cheng-Hang

2008-04-01

Ultraviolet radiation (UVR) exposure is known to cause potential effects such as erythema in skin. For UV-induced erythema (sunburn), the action spectrum from the Commission Internationale de l'Eclairage, International Commission on Illumination (CIE) was adopted. Erythemal UV effects from UVR lamp exposure were investigated with commercial spectroradiometry devices in this research. Three kinds of portable UV germicidal lamps with broadband UVA (BB UVA, 350-400 nm), broadband UVB (BB UVB, 280-350 nm), and narrowband UVC (NB UVC, 254 nm) wavelengths served as the UVR emission sources. An action spectrum expresses the effectiveness of radiation for assessing the hazard of UVR in the erythemal action spectrum from 250-400 nm. The UV Index (UVI) is an irradiance scale computed by multiplying the CIE erythemal irradiance integral in milliwatts per square meter by 0.04 m mW. A comprehensive approach to detecting erythemal UVR magnitude was developed to monitor the effective exposure from UV lamps. The erythemal UVR measurement was established and the exposure assessment was applied to monitor erythemal UVR magnitude from shield metal arc welding (SMAW) processing. From this study, the erythemal UVR exposures were assessed and evaluated with environmental solar simulation of the UVI exposure.

Vibrational spectra and structures of neutral Si(m)C(n) clusters (m + n = 6): sequential doping of silicon clusters with carbon atoms.

PubMed

Savoca, Marco; Lagutschenkov, Anita; Langer, Judith; Harding, Dan J; Fielicke, André; Dopfer, Otto

2013-02-14

Vibrational spectra of mixed silicon carbide clusters Si(m)C(n) with m + n = 6 in the gas phase are obtained by resonant infrared-vacuum-ultraviolet two-color ionization (IR-UV2CI for n ≤ 2) and density functional theory (DFT) calculations. Si(m)C(n) clusters are produced in a laser vaporization source, in which the silicon plasma reacts with methane. Subsequently, they are irradiated with tunable IR light from an IR free electron laser before they are ionized with UV photons from an F(2) laser. Resonant absorption of one or more IR photons leads to an enhanced ionization efficiency for Si(m)C(n) and provides the size-specific IR spectra. IR spectra measured for Si(6), Si(5)C, and Si(4)C(2) are assigned to their most stable isomers by comparison with calculated linear absorption spectra. The preferred Si(m)C(n) structures with m + n = 6 illustrate the systematic transition from chain-like geometries for bare C(6) to three-dimensional structures for bare Si(6). In contrast to bulk SiC, carbon atom segregation is observed already for the smallest n (n = 2).

[Using UV-Vis Absorbance for Characterization of Maturity in Composting Process with Different Materials].

PubMed

Zhao, Yue; Wei, Yu-quan; Li, Yang; Xi, Bei-dou; Wei, Zi-min; Wang, Xing-lei; Zhao, Zhi-nan; Ding, Jei

2015-04-01

The present study was conducted to assess the degree of humification in DOM during composting using different raw materials, and their effect on maturity of compost based on UV-Vis spectra measurements and chemometrics method. The raw materials of composting studied included chicken manure, pig manure, kitchen waste, lawn waste, fruits and vegetables waste, straw waste, green waste, sludge, and municipal solid waste. During composting, the parameters of UV-Vis spectra of DOM, including SUVA254 , SUVA280 , E250/E365, E4/E6, E2/E4, E2/E6, E253/E203, E253/E220, A226-400, S275-295 and S350-400 were calculated, Statistical analysis indicated that all the parameter were significantly changed during composting. SUVA254 and SUVA280 of DOM were continuously increased, E250/E365 and E4/E6 were continuously decreased in DOM, while A226-400, S275-295 and S350-400 of DOM at the final stage were significantly different with those at other stages of composting. Correlation analysis indicated that the parameters were significantly correlated with each other except for E2/E4 and E235/E203. Furthermore, principal component analysis suggested that A226-400, SUVA254, S350-400, SUVA280 and S275~295 were reasonable parameters for assessing the compost maturity. To distinguish maturity degree among different composts, hierarchical cluster analysis, an integrated tool utilizing multiple UV-Vis parameters, was performed based on the data (A226-400, SUVA254, S350-400, SUVA280 and S275-295) of DOM derived from the final stage of composting. Composts from different sources were clustered into 2 groups. The first group included chicken manure, pig manure, lawn waste, fruits and vegetables waste, green waste, sludge, and municipal solid waste characterized by a lower maturity degree, and the second group contained straw waste and kitchen waste associated with a higher maturity degree. The above results suggest that a multi-index of UV-Vis spectra could accurately evaluate the compost maturity, and A226-400, SUVA254, S350-400, SUVA280 and S275-295 of DOM could serve as primary parameters when the compost maturity was assessed using UV-Vis spectra.

Study on the interaction of antiviral drug 'Tenofovir' with human serum albumin by spectral and molecular modeling methods

NASA Astrophysics Data System (ADS)

Shahabadi, Nahid; Hadidi, Saba; Feizi, Foroozan

2015-03-01

This study was designed to examine the interaction of Tenofovir (Ten) with human serum albumin (HSA) under physiological conditions. The binding of drugs with human serum albumin is a crucial factor influencing the distribution and bioactivity of drugs in the body. To understand the action mechanisms between Ten and HSA, the binding of Ten with HSA was investigated by a combined experimental and computational approach. UV-vis results confirmed that Ten interacted with HSA to form a ground-state complex and values of the Stern-Volmer quenching constant indicate the presence of a static component in the quenching mechanism. As indicated by the thermodynamic parameters (positive ΔH and ΔS values), hydrophobic interaction plays a major role in the Ten-HSA complex. Through the site marker competitive experiment, Ten was confirmed to be located in site I of HSA. Furthermore, UV-vis absorption spectra, synchronous fluorescence spectrum and CD data were used to investigate the structural change of HSA molecules with addition of Ten, the results indicate that the secondary structure of HSA molecules was changed in the presence of Ten. The experimental results were in agreement with the results obtained via molecular docking study.

Matrix Optical Absorption in UV-MALDI MS

NASA Astrophysics Data System (ADS)

Robinson, Kenneth N.; Steven, Rory T.; Bunch, Josephine

2018-03-01

In ultraviolet matrix-assisted laser desorption/ionization mass spectrometry (UV-MALDI MS) matrix compound optical absorption governs the uptake of laser energy, which in turn has a strong influence on experimental results. Despite this, quantitative absorption measurements are lacking for most matrix compounds. Furthermore, despite the use of UV-MALDI MS to detect a vast range of compounds, investigations into the effects of laser energy have been primarily restricted to single classes of analytes. We report the absolute solid state absorption spectra of the matrix compounds α-cyano-4-hydroxycinnamic acid (CHCA), para-nitroaniline (PNA), 2-mercaptobenzothiazole (MBT), 2,5-dihydroxybenzoic acid (2,5-DHB), and 2,4,6-trihydroxyacetophenone (THAP). The desorption/ionization characteristics of these matrix compounds with respect to laser fluence was investigated using mixed systems of matrix with either angiotensin II, PC(34:1) lipid standard, or haloperidol, acting as representatives for typical classes of analyte encountered in UV-MALDI MS. The first absolute solid phase spectra for PNA, MBT, and THAP are reported; additionally, inconsistencies between previously published spectra for CHCA are resolved. In light of these findings, suggestions are made for experimental optimization with regards to matrix and laser wavelength selection. The relationship between matrix optical cross-section and wavelength-dependant threshold fluence, fluence of maximum ion yield, and R, a new descriptor for the change in ion intensity with fluence, are described. A matrix cross-section of 1.3 × 10-17 cm-2 was identified as a potential minimum for desorption/ionization of analytes.

Matrix Optical Absorption in UV-MALDI MS.

PubMed

Robinson, Kenneth N; Steven, Rory T; Bunch, Josephine

2018-03-01

In ultraviolet matrix-assisted laser desorption/ionization mass spectrometry (UV-MALDI MS) matrix compound optical absorption governs the uptake of laser energy, which in turn has a strong influence on experimental results. Despite this, quantitative absorption measurements are lacking for most matrix compounds. Furthermore, despite the use of UV-MALDI MS to detect a vast range of compounds, investigations into the effects of laser energy have been primarily restricted to single classes of analytes. We report the absolute solid state absorption spectra of the matrix compounds α-cyano-4-hydroxycinnamic acid (CHCA), para-nitroaniline (PNA), 2-mercaptobenzothiazole (MBT), 2,5-dihydroxybenzoic acid (2,5-DHB), and 2,4,6-trihydroxyacetophenone (THAP). The desorption/ionization characteristics of these matrix compounds with respect to laser fluence was investigated using mixed systems of matrix with either angiotensin II, PC(34:1) lipid standard, or haloperidol, acting as representatives for typical classes of analyte encountered in UV-MALDI MS. The first absolute solid phase spectra for PNA, MBT, and THAP are reported; additionally, inconsistencies between previously published spectra for CHCA are resolved. In light of these findings, suggestions are made for experimental optimization with regards to matrix and laser wavelength selection. The relationship between matrix optical cross-section and wavelength-dependant threshold fluence, fluence of maximum ion yield, and R, a new descriptor for the change in ion intensity with fluence, are described. A matrix cross-section of 1.3 × 10 -17 cm -2 was identified as a potential minimum for desorption/ionization of analytes. Graphical Abstract ᅟ.

Characterization of cubic ceria?zirconia powders by X-ray diffraction and vibrational and electronic spectroscopy

NASA Astrophysics Data System (ADS)

Sánchez Escribano, Vicente; Fernández López, Enrique; Panizza, Marta; Resini, Carlo; Gallardo Amores, José Manuel; Busca, Guido

2003-10-01

The X-ray diffraction (XRD) patterns and the Infrared, Raman and UV-visible spectra of CeO 2ZrO 2 powders prepared by co-precipitation are presented. Raman spectra provide evidence for the largely predominant cubic structure of the powders with CeO 2 molar composition higher than 25%. Also skeletal IR spectra allow to distinguish cubic from tetragonal phases which are instead not easily distinguished on the basis of the XRD patterns. All mixed oxides including pure ceria are strong UV absorbers although also absorb in the violet visible region. By carefully selecting their composition and treatment temperature, the onset of the radiation that they cut off can be chosen in the 425-475 nm interval. Although they are likely metastable, the cubic phases are still pure even after heating at 1173 K for 4 h.

Ultraviolet absorption by highly ionized halo gas near the Galactic center

NASA Technical Reports Server (NTRS)

Savage, B. D.; Massa, D.

1985-01-01

Initial results are presented for a program to survey highly ionized gas in the Milky Way disk and halo. High-resolution IUE (International Ultraviolet Explorer) far-UV spectra were obtained for 12 stars at galactocentric distances less than 6 kpc. The stars are 0.7-2.2 kpc away from the plane. Most of the spectra contain exceedingly strong and broad interstellar absorption lines of weakly and highly ionized atoms. In addition to the normally strong lines of Si IV and C IV, strong interstellar NV lines have been detected in the spectra of eight stars. The detection of NV absorption (amounting to more than 10 times the predicted NV) provides an important new constraint on models for the origin of Galactic halo gas. A Galactic fountain operating in the presence of known UV and EUV radiation might explain the observations.

Far-ultraviolet absorption spectra of quasars: How to find missing hot gas and metals

NASA Technical Reports Server (NTRS)

Verner, D. A.; Tytler, David; Barthel, P. D.

1994-01-01

We show that some high-redshift QSO absorption systems that reveal only the H I Lyman series lines at wavelengths visible from the ground maybe a new class of ultra-high-ionization metal line systems, with metal lines in the far-UV region which is now being explored with satellites. At high temperatures or in intense radiation fields metal systems will not show the usual C IV absorption, and O VI will become the most prominent metal absorber. At still higher ionization, O IV also becomes weak and the strongest metal lines are from Ne VIII, Mg X and Si XII, which have doublets in the rangs 500-800 A. Hence very high ionization metal systems will not show metal lines in existing spectra. Recent X-ray observations show that galaxy halos contain hot gas, so we predict that far-UV spectra of QSOs will also show this gas.

Synthesis, structural characterization, antimicrobial activities and theoretical investigations of some 4-(4-aminophenylsulfonyl) phenylimino) methyl)-4-(aryldiazenyl) phenol

NASA Astrophysics Data System (ADS)

Ghasemian, Motaleb; Kakanejadifard, Ali; Karami, Tahereh

2016-11-01

The azo-azomethine dyes with a different substitution have been designed from the reaction of 4,4‧-diaminodiphenyl sulfone with 2-hydroxy-5-(aryldiazenyl)benzaldehyde. The compounds have been characterized by elemental analysis, Mass, IR, UV-Vis, TGA-DTA and NMR spectroscopy. The solvatochromism behaviors, effects of substitution and pH on the electronic absorption spectra of dyes were evaluated. The in vitro antimicrobial activities were also screened for their potential for antibiotic activities by broth micro dilution method. Also, the optimum molecular geometries, molecular electrostatic potential (MEP), nucleus-independent chemical shift (NICS) and frontier molecular orbitals (FMO), vibrational spectra (IR) and electronic absorption (UV-Vis) spectra of the title compounds have been investigated with the help of DFT and TDDFT methods with 6-311 ++G(d,p) basis sets and PCM calculations. The results of the calculations show excellent agreement with the experimental value.

Synthesis, spectral and quantum chemical studies on NO-chelating sulfamonomethoxine-cyclophosph(V)azane and its Er(III) complex.

PubMed

Alaghaz, Abdel-Nasser M A; Ammar, Reda A A; Koehler, Gottfried; Wolschann, Karl Peter; El-Gogary, Tarek M

2014-07-15

Computational studies have been carried out at the DFT-B3LYP/6-31G(d) level of theory on the structural and spectroscopic properties of novel ethane-1,2-diol-dichlorocyclophosph(V)azane of sulfamonomethoxine (L), and its binuclear Er(III) complex. Different tautomers of the ligand were optimized at the ab initio DFT level. Keto-form structure is about 15.8 kcal/mol more stable than the enol form (taking zpe correction into account). Simulated IR frequencies were scaled and compared with that experimentally measured. TD-DFT method was used to compute the UV-VIS spectra which show good agreement with measured electronic spectra. The structures of the novel isolated products are proposed based on elemental analyses, IR, UV-VIS, (1)H NMR, (31)P NMR, SEM, XRD spectra, effective magnetic susceptibility measurements and thermogravimetric analysis (TGA). Copyright © 2014 Elsevier B.V. All rights reserved.

Dynamic analysis of reactive oxygen nitrogen species in plasma-activated culture medium by UV absorption spectroscopy

NASA Astrophysics Data System (ADS)

Brubaker, Timothy R.; Ishikawa, Kenji; Takeda, Keigo; Oh, Jun-Seok; Kondo, Hiroki; Hashizume, Hiroshi; Tanaka, Hiromasa; Knecht, Sean D.; Bilén, Sven G.; Hori, Masaru

2017-12-01

The liquid-phase chemical kinetics of a cell culture basal medium during treatment by an argon-fed, non-equilibrium atmospheric-pressure plasma source were investigated using real-time ultraviolet absorption spectroscopy and colorimetric assays. Depth- and time-resolved NO2- and NO3- concentrations were strongly inhomogeneous and primarily driven by convection during and after plasma-liquid interactions. H2O2 concentrations determined from deconvolved optical depth spectra were found to compensate for the optical depth spectra of excluded reactive species and changes in dissolved gas content. Plasma-activated media remained weakly basic due to NaHCO3 buffering, preventing the H+-catalyzed decomposition of NO2- seen in acidic plasma-activated water. An initial increase in pH may indicate CO2 sparging. Furthermore, the pH-dependency of UV optical depth spectra illustrated the need for pH compensation in the fitting of optical depth data.

Spectral reconstruction analysis for enhancing signal-to-noise in time-resolved spectroscopies

NASA Astrophysics Data System (ADS)

Wilhelm, Michael J.; Smith, Jonathan M.; Dai, Hai-Lung

2015-09-01

We demonstrate a new spectral analysis for the enhancement of the signal-to-noise ratio (SNR) in time-resolved spectroscopies. Unlike the simple linear average which produces a single representative spectrum with enhanced SNR, this Spectral Reconstruction analysis (SRa) improves the SNR (by a factor of ca. 0 . 6 √{ n } ) for all n experimentally recorded time-resolved spectra. SRa operates by eliminating noise in the temporal domain, thereby attenuating noise in the spectral domain, as follows: Temporal profiles at each measured frequency are fit to a generic mathematical function that best represents the temporal evolution; spectra at each time are then reconstructed with data points from the fitted profiles. The SRa method is validated with simulated control spectral data sets. Finally, we apply SRa to two distinct experimentally measured sets of time-resolved IR emission spectra: (1) UV photolysis of carbonyl cyanide and (2) UV photolysis of vinyl cyanide.

A Comparison of Analytical and Data Preprocessing Methods for Spectral Fingerprinting

PubMed Central

LUTHRIA, DEVANAND L.; MUKHOPADHYAY, SUDARSAN; LIN, LONG-ZE; HARNLY, JAMES M.

2013-01-01

Spectral fingerprinting, as a method of discriminating between plant cultivars and growing treatments for a common set of broccoli samples, was compared for six analytical instruments. Spectra were acquired for finely powdered solid samples using Fourier transform infrared (FT-IR) and Fourier transform near-infrared (NIR) spectrometry. Spectra were also acquired for unfractionated aqueous methanol extracts of the powders using molecular absorption in the ultraviolet (UV) and visible (VIS) regions and mass spectrometry with negative (MS−) and positive (MS+) ionization. The spectra were analyzed using nested one-way analysis of variance (ANOVA) and principal component analysis (PCA) to statistically evaluate the quality of discrimination. All six methods showed statistically significant differences between the cultivars and treatments. The significance of the statistical tests was improved by the judicious selection of spectral regions (IR and NIR), masses (MS+ and MS−), and derivatives (IR, NIR, UV, and VIS). PMID:21352644

UV laser-induced fluorescence spectroscopy and laser Doppler flowmetry in the diagnostics of alopecia

NASA Astrophysics Data System (ADS)

Skomorokha, Diana P.; Pigoreva, Yulia N.; Salmin, Vladimir V.

2016-04-01

Development of optical biopsy methods has a great interest for medical diagnostics. In clinical and experimental studies it is very important to analyze blood circulation quickly and accurately, thereby laser Doppler flowmetry (LDF) is widely used. UV laser-induced fluorescence spectroscopy (UV LIFS) is express highly sensitive and widely-spread method with no destructive impact, high excitation selectivity and the possibility to use in highly scattering media. The goal of this work was to assess a correlation of UV laser-induced fluorescence spectroscopy and laser Doppler flowmetry parameters, and a possibility to identify or to differentiate various types of pathological changes in tissues according to their autofluorescence spectra. Three groups of patients with diffuse (symptomatic) alopecia, androgenic alopecia, and focal alopecia have been tested. Each groups consisted of not less than 20 persons. The measurements have been done in the parietal and occipital regions of the sculls. We used the original automated spectrofluorimeter to record autofluorescence spectra, and standard laser Doppler flowmeter BLF-21 (Transonic Systems, Inc., USA) to analyze the basal levels of blood circulation. Our results show that UV LIFS accurately distinguishes the zones with different types of alopecia. We found high correlation of the basal levels of blood circulation and the integrated intensity of autofluorescence in the affected tissue.

Fixation of chiral smectic liquid crystal (S)-(+)-4-(2-methyl-1-butyloyloxy)phenyl 4-[1-(propenoyloxy) butiloxy] benzoate using UV curing techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

Afrizal,, E-mail: rizalunj04@yahoo.com; Nurdelima,; Umeir

2014-03-24

Chiral Smectic Liquid Crystal (S)-(+)-4-(2-methyl-1-butyloyloxy)phenyl 4-[1-(propenoyloxy) butiloxy] benzoate has been synthesized using method of steglich esterification at room temperature. The mesomorphic behavior of chiral smectic at 55°C that showed schlieren texture in POM analysis. Fixation of structure chiral smectic liquid crystal by means of photopolymerization of monomer (S)-(+)-4-(2-methyl-1-butyloyloxy)phenyl 4-[1-(propenoyloxy) butiloxy] benzoate under UV irradiation which called UV curing techniques. The curing process using UV 3 lamps 100 volt at 60°C for an hour. The product of photopolymerization could be seen by analysis of FTIR spectra both monomer and polymer. FTIR spectra of monomer, two peaks for ester carbonyl and C-Cmore » double bond groups appeared at 1729.09 cm-1and 3123.46 cm{sup −1}. After UV curing process, peak for the carbonyl group at 1729.09 cm{sup −1} decreased and a new peak at 1160.21 cm{sup −1} appeared due to the carbonyl group attached to a C-C bond group and then peak at 3123.46 cm{sup −1} for C-C double bond group was disappeared.« less

Optical and UV spectroscopy of the black hole binary candidate LMC X-1

NASA Technical Reports Server (NTRS)

Hutchings, J. B.; Crampton, D.; Cowley, A. P.; Bianchi, L.; Thompson, I. B.

1987-01-01

Both further optical spectroscopy of the binary star identified with LMC X-1, obtained between 1983 and 1985, and a series of IUE UV spectra taken during a 5 day interval in 1984 are presented. The optical data are used to refine the orbital period to 4.2288 days, and improved orbital parameters are derived. The velocity of the optical emission lines is antiphased with the absorption lines and has twice the velocity amplitude. These new results support the estimates of the masses in the system given earlier. The most probable component masses are approximately 20 solar masses for the primary and near 6 solar masses (for the x-ray star), suggesting the the latter may be a black hole. The UV spectra show very weak, low-velocity stellar-wind lines. It is suggested that much of the surrounding medium is highly ionized by the X-ray flux. The 'nonwind' UV spectral lines and the UV continuum temperature are consistent with the optical data, indicating a late O type star of M(bol) = -8.5. There is a weak modulation of absorption-line strengths with orbital phase, suggestive of a lack of axisymmetry in the X-irradiation of the primary star and indicative of a fairly low orbital inclination.

On the Interpretation of the Influence of Substituents on the UV-Spectroscopic Properties of Benzimidazole and Indazole Derivatives (In German)

NASA Astrophysics Data System (ADS)

Fabian, Walter

1983-12-01

On the interpretation of the influence of substituents on the UV-spectroscopic properties of benzimidazole and indazole derivatives. The UV spectra of a series of substituted benzimidazoles and indazoles were calculated by means of semiempirical quantum chemical methods (PPP, CNDO/S-CI). The results of the PPP calculations were subjected to a configuration analysis. Using this method, the influence of the nature and position of substituents on the absorption characteristics could be rationalized.

Spatial correlation between chemical and topological defects in vitreous silica: UV-resonance Raman study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saito, M., E-mail: makina.saito@elettra.eu; D’Amico, F.; Bencivenga, F.

2014-06-28

A spatial correlation between chemical and topological defects in the tetrahedron network in vitreous silica produced by a fusion process of natural quartz crystals was found by synchrotron-based UV resonance Raman experiments. Furthermore, a quantitative correlation between these defects was obtained by comparing visible Raman and UV absorption spectra. These results indicate that in vitreous silica produced by the fusion process the topological defects disturb the surrounding tetrahedral silica network and induce further disorder regions with sub nanometric sizes.

Tetra-2,3-pyrazinoporphyrazines with externally appended pyridine rings. 15. Effects of the pyridyl substituents and fused exocyclic rings on the UV-visible spectroscopic properties of Mg(II)-porphyrazines: a combined experimental and DFT/TDDFT study.

PubMed

Donzello, Maria Pia; De Mori, Giorgia; Viola, Elisa; Ercolani, Claudio; Ricciardi, Giampaolo; Rosa, Angela

2014-08-04

Two new Mg(II) porphyrazine macrocycles, the octakis(2-pyridyl)porphyrazinato-magnesium(II), [Py8PzMg(H2O)], and the tetrakis-[6,7-di(2-pyridyl)quinoxalino]porphyrazinato-magnesium(II), [Py8QxPzMg(H2O)], were prepared by Mg-template macrocyclization processes, and their general physicochemical properties were examined. The previously reported porphyrazine analog, the tetrakis-2,3-[5,6-di(2-pyridyl)-pyrazino]porphyrazinato-magnesium(II), [Py8PyzPzMg(H2O)], has been also considered in the present work. The UV-visible solution spectra in nonaqueous solvents of this triad of externally octapyridinated Mg(II) complexes exhibit the usual profile observed for phthalocyanine and porphyrazine macrocycles, with intense absorptions in the Soret (300-450 nm) and Q band (600-800 nm) regions. It is observed that the Q band maximum sensibly shifts toward the red with peak values at 635 → 658 → 759 nm along the series [Py8PzMg(H2O)], [Py8PyzPzMg(H2O)], and [Py8QxPzMg(H2O)], as the extension of the macrocycle π-system increases. TDDFT calculations of the electronic absorption spectra were performed for the related water-free model compounds [Py8PzMg], [Py8PyzPzMg], and [Py8QxPzMg] to provide an interpretation of the UV-visible spectral changes occurring upon introduction of the pyrazine and quinoxaline rings at the periphery of the Pz macrocycle. To discriminate the electronic effects of the fused exocyclic rings from those of the appended 2-pyridyl rings, the UV-visible spectra of [PzMg] and [PyzPzMg] were also theoretically investigated. The theoretical results prove to agree very well with the experimental data, providing an accurate description of the UV-visible spectra. The observed spectral changes are interpreted on the basis of the electronic structure changes occurring along the series.

Ly α and UV Sizes of Green Pea Galaxies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Huan; Wang, Junxian; Malhotra, Sangeeta

Green Peas are nearby analogs of high-redshift Ly α -emitting galaxies (LAEs). To probe their Ly α escape, we study the spatial profiles of Ly α and UV continuum emission of 24 Green Pea galaxies using the Cosmic Origins Spectrograph (COS) on the Hubble Space Telescope . We extract the spatial profiles of Ly α emission from their 2D COS spectra, and of the UV continuum from both 2D spectra and NUV images. The Ly α emission shows more extended spatial profiles than the UV continuum, in most Green Peas. The deconvolved full width at half maximum of the Lymore » α spatial profile is about 2–4 times that of the UV continuum, in most cases. Because Green Peas are analogs of high z LAEs, our results suggest that most high- z LAEs probably have larger Ly α sizes than UV sizes. We also compare the spatial profiles of Ly α photons at blueshifted and redshifted velocities in eight Green Peas with sufficient data quality, and find that the blue wing of the Ly α line has a larger spatial extent than the red wing in four Green Peas with comparatively weak blue Ly α line wings. We show that Green Peas and MUSE z = 3–6 LAEs have similar Ly α and UV continuum sizes, which probably suggests that starbursts in both low- z and high- z LAEs drive similar gas outflows illuminated by Ly α light. Five Lyman continuum (LyC) leakers in this sample have similar Ly α to UV continuum size ratios (∼1.4–4.3) to the other Green Peas, indicating that their LyC emissions escape through ionized holes in the interstellar medium.« less

A First Investigation of the UV Extinction Properties of Interstellar Dust in M33

NASA Astrophysics Data System (ADS)

Clayton, Geoffrey

2017-08-01

It is well known that the standard Milky Way UV extinction curve does not hold even in the most nearby galaxies, the LMC and the SMC. But, it is not even known whether the standard curve holds throughout our own galaxy because our position in the disk of the Milky Way, where extinction is high, prevents us from seeing most of our galaxy at UV wavelengths. We have a unique opportunity, while we still have the capability to obtain UV spectra, to investigate the UV extinction properties across another spiral galaxy in the Local Group, M33. The small aperture and high sensitivity of HST/STIS are ideal for obtaining UV spectra of stars in the crowded fields of M33. We propose to observe 8 stars in M33 which will provide good spatial coverage. We are choosing sightlines that lie in the footprint of the M33 Legacy Survey which extends the Panchromatic Hubble Andromeda Treasury (PHAT) survey. Focusing our study on the detailed properties of M33 dust grains via UV spectroscopy with HST/STIS will mean that we can directly connect the variations seen in the UV extinction curves with their environments. By selecting our sightlines in the M33 PHAT survey region, we will be able to probe a variety of potential correlations between dust grains and their environment. This proposal is part of a long-term program to investigate the extinction properties of interstellar dust across a sample of Local Group galaxies, also including M31, with different global characteristics such as metallicity and star formation activity. There is a metallicity gradient across M33 from solar to sub-solar that will be sampled with our proposed sightlines.

Exploring Mercury's Surface in UltraViolet from Orbit

NASA Astrophysics Data System (ADS)

Izenberg, N.

2017-12-01

The MESSENGER Mission's Ultraviolet and Visible Spectrometer (UVVS) component of its Mercury Atmosphere and Surface Composition Spectrometer (MASCS) instrument obtained approximately 4600 point observations of Mercury's surface in middle ultraviolet (MUV; 210 nm - 300 nm) and far ultraviolet (FUV; 119.1 - 122.5 nm and 129.2 - 131.5 nm) wavelengths over the course of its orbital mission, mostly in Mercury's southern hemisphere. Given the very low (<1 to 2 wt %) average abundance of iron in the silicates of Mercury observed by multiple MESSENGER instruments, the near- to middle-ultraviolet wavelengths encompassing the oxygen metal charge transfer band (<400 nm), which is more sensitive to the presence of iron than the classic 1 micron absorption band, provides potentially useful additional compositional insight into the top layer of Mercury's regolith. The presence of nano- and microphase carbon also has potentially significant expression in the ultraviolet, and the interplay and variation between carbon and iron in mercury surface materials is an active area of investigation. Analysis of middle-UV surface reflectance and parameters appear to support the presence of varying amounts of carbon in different spectral or geologic units on Mercury. Far-UV reflectance data is currently under-utilized, but analysis of lunar surface by the Lunar Reconnaissance Orbiter (LRO) Lyman Alpha Mapping Project (LAMP) indicate that the data are sensitive to both composition and space weathering. The far-UV reflectance from MASCS may provide similar information for the Mercury surface, complementing results from longer wavelengths. MESSENGER data products for surface reflectance include middle-UV reflectance spectra, ultraviolet far-UV reflectance values, combined middle-UV through near-infrared spectra (210 nm - 1450 nm), a global `spectral cube' of near-UV to near-IR, and an upcoming UV spectral cube.

Calibration and Limitations of the Mg II Line-based Black Hole Masses

NASA Astrophysics Data System (ADS)

Woo, Jong-Hak; Le, Huynh Anh N.; Karouzos, Marios; Park, Dawoo; Park, Daeseong; Malkan, Matthew A.; Treu, Tommaso; Bennert, Vardha N.

2018-06-01

We present single-epoch black hole mass ({M}BH}) calibrations based on the rest-frame ultraviolet (UV) and optical measurements of Mg II 2798 Å and Hβ 4861 Å lines and the active galactic nucleus (AGN) continuum, using a sample of 52 moderate-luminosity AGNs at z ∼ 0.4 and z ∼ 0.6 with high-quality Keck spectra. We combine this sample with a large number of luminous AGNs from the Sloan Digital Sky Survey to increase the dynamic range for a better comparison of UV and optical velocity and luminosity measurements. With respect to the reference {M}BH} based on the line dispersion of Hβ and continuum luminosity at 5100 Å, we calibrate the UV and optical mass estimators by determining the best-fit values of the coefficients in the mass equation. By investigating whether the UV estimators show a systematic trend with Eddington ratio, FWHM of Hβ, Fe II strength, or UV/optical slope, we find no significant bias except for the slope. By fitting the systematic difference of Mg II-based and Hβ-based masses with the L 3000/L 5100 ratio, we provide a correction term as a function of the spectral index as ΔC = 0.24 (1 + α λ ) + 0.17, which can be added to the Mg II-based mass estimators if the spectral slope can be well determined. The derived UV mass estimators typically show >∼0.2 dex intrinsic scatter with respect to the Hβ-based {M}BH}, suggesting that the UV-based mass has an additional uncertainty of ∼0.2 dex, even if high-quality rest-frame UV spectra are available.

Lyα and UV Sizes of Green Pea Galaxies

NASA Astrophysics Data System (ADS)

Yang, Huan; Malhotra, Sangeeta; Rhoads, James E.; Leitherer, Claus; Wofford, Aida; Jiang, Tianxing; Wang, Junxian

2017-03-01

Green Peas are nearby analogs of high-redshift Lyα-emitting galaxies (LAEs). To probe their Lyα escape, we study the spatial profiles of Lyα and UV continuum emission of 24 Green Pea galaxies using the Cosmic Origins Spectrograph (COS) on the Hubble Space Telescope. We extract the spatial profiles of Lyα emission from their 2D COS spectra, and of the UV continuum from both 2D spectra and NUV images. The Lyα emission shows more extended spatial profiles than the UV continuum, in most Green Peas. The deconvolved full width at half maximum of the Lyα spatial profile is about 2-4 times that of the UV continuum, in most cases. Because Green Peas are analogs of high z LAEs, our results suggest that most high-z LAEs probably have larger Lyα sizes than UV sizes. We also compare the spatial profiles of Lyα photons at blueshifted and redshifted velocities in eight Green Peas with sufficient data quality, and find that the blue wing of the Lyα line has a larger spatial extent than the red wing in four Green Peas with comparatively weak blue Lyα line wings. We show that Green Peas and MUSE z = 3-6 LAEs have similar Lyα and UV continuum sizes, which probably suggests that starbursts in both low-z and high-z LAEs drive similar gas outflows illuminated by Lyα light. Five Lyman continuum (LyC) leakers in this sample have similar Lyα to UV continuum size ratios (˜1.4-4.3) to the other Green Peas, indicating that their LyC emissions escape through ionized holes in the interstellar medium.

Generation of terahertz from ZnGeP2 crystal and its application to record the time-resolved photoacoustic spectra of nitromethane

NASA Astrophysics Data System (ADS)

Rao, K. S.; Ganesh, D.; Chaudhary, A. K.

2018-07-01

This paper reports the generation of THz radiation through the optical rectification process from type-I cut Zinc germanium phosphate (ZnGeP2or ZGP) crystal using optical parametric amplifier pulses (tunable between 1.15-1.6 μm range, at 60 fs pulse duration and 1 kHz repetition rate) as pump wavelengths at an average power of 50 mW. Also, we have ascertained the conversion efficiency of the generated THz signal, which is of the order of 0.62% at 1.5 THz. Further, the generated radiation is employed for the recording of absorption bands (in terms of PA spectra) of nitromethane and methanol vapor at room temperature using bandpass filters having central frequencies of 0.5 and 1.5 THz. In addition, we have employed the UV-266 nm as an excitation wavelength to record the time domain photoacoustic (PA) spectra of nitromethane (CH3NO2). In case of UV and THz radiations, the excitation mechanisms follow strong electronic (π∗ ← n) and weak vibrational-rotational due to ultrafast transition, respectively. In case of UV-266 nm the characteristic PA spectra has been also presented as a function of vapor pressure and data acquisition time with two different PA cells. The current study reveals the effect of the nanoseconds and the ultrafast pulses on some of the common excited acoustic modes (due to similar functional group), which follow two different types of excitation mechanism.

A multifrequency virtual spectrometer for complex bio-organic systems: vibronic and environmental effects on the UV/Vis spectrum of chlorophyll a.

PubMed

Barone, Vincenzo; Biczysko, Malgorzata; Borkowska-Panek, Monika; Bloino, Julien

2014-10-20

The subtle interplay of several different effects means that the interpretation and analysis of experimental spectra in terms of structural and dynamic characteristics is a challenging task. In this context, theoretical studies can be helpful, and as such, computational spectroscopy is rapidly evolving from a highly specialized research field toward a versatile and widespread tool. However, in the case of electronic spectra (e.g. UV/Vis, circular dichroism, photoelectron, and X-ray spectra), the most commonly used methods still rely on the computation of vertical excitation energies, which are further convoluted to simulate line shapes. Such treatment completely neglects the influence of nuclear motions, despite the well-recognized notion that a proper account of vibronic effects is often mandatory to correctly interpret experimental findings. Development and validation of improved models rooted into density functional theory (DFT) and its time-dependent extension (TD-DFT) is of course instrumental for the optimal balance between reliability and favorable scaling with the number of electrons. However, the implementation of easy-to-use and effective procedures to simulate vibrationally resolved electronic spectra, and their availability to a wide community of users, is at least equally important for reliable simulations of spectral line shapes for compounds of biological and technological interest. Here, such an approach has been applied to the study of the UV/Vis spectra of chlorophyll a. The results show that properly tailored approaches are feasible for state-of-the-art computational spectroscopy studies, and allow, with affordable computational resources, vibrational and environmental effects on the spectral line shapes to be taken into account for large systems. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Direct on-strip analysis of size- and time-resolved aerosol impactor samples using laser induced fluorescence spectra excited at 263 and 351 nm.

PubMed

Wang, Chuji; Pan, Yong-Le; James, Deryck; Wetmore, Alan E; Redding, Brandon

2014-04-11

We report a novel atmospheric aerosol characterization technique, in which dual wavelength UV laser induced fluorescence (LIF) spectrometry marries an eight-stage rotating drum impactor (RDI), namely UV-LIF-RDI, to achieve size- and time-resolved analysis of aerosol particles on-strip. The UV-LIF-RDI technique measured LIF spectra via direct laser beam illumination onto the particles that were impacted on a RDI strip with a spatial resolution of 1.2mm, equivalent to an averaged time resolution in the aerosol sampling of 3.6 h. Excited by a 263 nm or 351 nm laser, more than 2000 LIF spectra within a 3-week aerosol collection time period were obtained from the eight individual RDI strips that collected particles in eight different sizes ranging from 0.09 to 10 μm in Djibouti. Based on the known fluorescence database from atmospheric aerosols in the US, the LIF spectra obtained from the Djibouti aerosol samples were found to be dominated by fluorescence clusters 2, 5, and 8 (peaked at 330, 370, and 475 nm) when excited at 263 nm and by fluorescence clusters 1, 2, 5, and 6 (peaked at 390 and 460 nm) when excited at 351 nm. Size- and time-dependent variations of the fluorescence spectra revealed some size and time evolution behavior of organic and biological aerosols from the atmosphere in Djibouti. Moreover, this analytical technique could locate the possible sources and chemical compositions contributing to these fluorescence clusters. Advantages, limitations, and future developments of this new aerosol analysis technique are also discussed. Published by Elsevier B.V.

Interaction between two discontiguous chain segments from the beta-sheet of Escherichia coli thioredoxin suggests an initiation site for folding.

PubMed

Tasayco, M L; Fuchs, J; Yang, X M; Dyalram, D; Georgescu, R E

2000-09-05

The approach of comparing folding and folding/binding processes is exquisitely poised to narrow down the regions of the sequence that drive protein folding. We have dissected the small single alpha/beta domain of oxidized Escherichia coli thioredoxin (Trx) into three complementary fragments (N, residues 1-37; M, residues 38-73; and C, residues 74-108) to study them in isolation and upon recombination by far-UV CD and NMR spectroscopy. The isolated fragments show a minimum of ellipticity of ca. 197 nm in their far-UV CD spectra without concentration dependence, chemical shifts of H(alpha) that are close to the random coil values, and no medium- and long-range NOE connectivities in their three-dimensional NMR spectra. These fragments behave as disordered monomers. Only the far-UV CD spectra of binary or ternary mixtures that contain N- and C-fragments are different from the sum of their individual spectra, which is indicative of folding and/or binding of these fragments. Indeed, the cross-peaks corresponding to the rather hydrophobic beta(2) and beta(4) regions of the beta-sheet of Trx disappear from the (1)H-(15)N HSQC spectra of isolated labeled N- and C-fragments, respectively, upon addition of the unlabeled complementary fragments. The disappearing cross-peaks indicate interactions between the beta(2) and beta(4) regions, and their reappearance at lower temperatures indicates unfolding and/or dissociation of heteromers that are predominantly held by hydrophobic forces. Our results argue that the folding of Trx begins by zippering two discontiguous and rather hydrophobic chain segments (beta(2) and beta(4)) corresponding to neighboring strands of the native beta-sheet.

Spectroscopic and DFT studies of bis-3-hydroxypyridinium and bis-3-hydroxymethylpyridinium dibromides with tetramethylene linker

NASA Astrophysics Data System (ADS)

Komasa, Anna

2018-01-01

Experimental and theoretical IR, Raman, UV-Vis, 1H and 13C NMR spectra of 1,4-di(3-hydroxypyridinium)butane dibromide and 1,4-di(3-hydroxymethylpyridinium)butane dibromide were obtained and analyzed. Optimized geometrical structures of the studied compounds were calculated by B3LYP method using 6-311++G(d,p) basis set and employed to determine the theoretical wavenumbers and intensities of IR and Raman spectra. The frequency assignments were supported by the potential energy distribution (PED) analysis. The significant role of the intermolecular interactions and the hydrogen bond was revealed on the basis of IR spectra. The calculated GIAO/B3LYP/6-311++G(d,p) isotropic magnetic shielding constants were used to predict the 1H and 13C chemical shifts for the optimized structures. Accuracy of the prediction of 1H and 13C chemical shifts was significantly improved by a simulation of the solvent in calculations. On the basis of UV-Vis spectra the acid-base equilibrium in the water solution of 1,4-di(3-hydroxypyridinium)butane dibromide was found.

Spectroscopic and structural study of the newly synthesized heteroligand complex of copper with creatinine and urea.

PubMed

Gangopadhyay, Debraj; Singh, Sachin Kumar; Sharma, Poornima; Mishra, Hirdyesh; Unnikrishnan, V K; Singh, Bachcha; Singh, Ranjan K

2016-02-05

Study of copper complex of creatinine and urea is very important in life science and medicine. In this paper, spectroscopic and structural study of a newly synthesized heteroligand complex of copper with creatinine and urea has been discussed. Structural studies have been carried out using DFT calculations and spectroscopic analyses were carried out by FT-IR, Raman, UV-vis absorption and fluorescence techniques. The copper complex of creatinine and the heteroligand complex were found to have much increased water solubility as compared to pure creatinine. The analysis of FT-IR and Raman spectra helps to understand the coordination properties of the two ligands and to determine the probable structure of the heteroligand complex. The LIBS spectra of the heteroligand complex reveal that the complex is free from other metal impurities. UV-visible absorption spectra and the fluorescence emission spectra of the aqueous solution of Cu-Crn-urea heteroligand complex at different solute concentrations have been analyzed and the complex is found to be rigid and stable in its monomeric form at very low concentrations. Copyright © 2015 Elsevier B.V. All rights reserved.

Theoretical studies on the structural and spectra properties of two C74 fullerenes and the chlorinated species C74Cl10

NASA Astrophysics Data System (ADS)

Zheng, Mei; Song, Xitong; Li, Xiaoqi; Qi, Jiayuan

2018-07-01

The geometrical/electronic structures, X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine structure spectroscopy of two especially C74 fullerenes (D3h-C74 and C1-C74) and the chlorinated species C1-C74Cl10, which are newly isolated in the experiment, have been calculated by means of the density functional theory (DFT) method. Effective changes in the electronic structure and simulated X-ray spectra have been observed after chlorination. Strong isomer dependence has been found in both spectra, thus the 'fingerprints' in the spectra can be employed as a tool to identify the isomers. The ultraviolet-visible (UV-vis) absorption spectrum of C1-C74Cl10 has been performed by using the time-dependent DFT method. The generated UV-vis spectrum coincides with the previous experimental counterpart. The results of this work can provide useful information especially for isomer identification and further study on fullerenes by means of the aforementioned spectroscopy techniques.

A spectroscopic investigation of the eclipsing binary Epsilon Aurigae

NASA Technical Reports Server (NTRS)

Balachandran, Suchitra

1991-01-01

The objectives were to examine, in detail, the spectra of the eclipsing binary Epsilon Aurigae taken with the IUE satellite telescope during the 1982 to 1984 eclipse. All of the low resolution spectra were analyzed and UV light curves are presented. The primary findings are as follows: (1) a constant eclipse depth from 1600 A to longer wavelengths and a sharp drop in the eclipse depth from 1600 to 1200 A; (2) the absence of large amplitude fluctuations in the UV as expected from a Cepheid primary; and (3) equal ingress and egress times in contradiction to that interpreted from visible light curves. The effects of these findings on the eclipse geometry are being studied.

Uv Spectroscopy on Gas Phase Cu(I)-BIPYRIDYL Complexes

NASA Astrophysics Data System (ADS)

Xu, Shuang; Christopher, Casey; Weber, J. Mathias

2015-06-01

Transition metal complexes with bipyridine ligands are of great interest in metal-organic chemistry, since they are prototypes for many applications in photochemistry and homogeneous catalysis. Under-coordinated bipyridyl complexes are elusive species in the condensed phase, and the ligand-induced changes in electronic structure are of fundamental interest. We present UV photodissociation spectra of mass-selected monocationic copper(I)-bipyridyl complexes [bpy-Cu-L]+ with different ligands (L = H2O, D2, N2, MeOH, Cl). Complexes were prepared via electrospray ionization of copper/bipyridine solutions followed by accumulation and buffer gas cooling in a cryogenic Paul trap. In addition, we show spectra of similar species based on copper oxide, [bpy-CuO-L]+.

Ultraviolet continuum and H2 fluorescent emission in Herbig-Haro objects 43 and 47

NASA Technical Reports Server (NTRS)

Schwartz, R. D.

1983-01-01

IUE short wavelength spectra are presented for the low excitation Herbig-Haro objects HH 43 and HH 47. In the former, several emission lines in the Lyman band of H2 from an excited state are observed which are due to fluorescence from the H Ly-alpha line pumping a lower state (that is in turn excited by a low-velocity shock wave). No evidence of highly ionized gas emission is found in the UV spectra, and both objects exhibit a UV continuum which peaks in the vicinity of 1500 A and is probably caused by H two-photon emission enhanced by low velocity shock collisional excitation.

Chandra and HST Observations of the High Energy (X-ray/UV) Radiation Fields for an Evolutionary Sequence of Pre-Main-Sequence Stars

NASA Astrophysics Data System (ADS)

Brown, Alexander; Herczeg, G. J.; Brown, J. M.; Walter, F. M.; Valenti, J.; Ardila, D.; Hillenbrand, L. A.; Edwards, S.; Johns-Krull, C. M.; Alexander, R.; Bergin, E. A.; Calvet, N.; Bethell, T. J.; Ingleby, L.; Bary, J. S.; Audard, M.; Baldovin, C.; Roueff, E.; Abgrall, H.; Gregory, S. G.; Ayres, T. R.; Linsky, J. L.

2010-03-01

Pre-main-sequence (PMS) stars are strong X-ray and UV emitters and the high energy radiation from the central stars directly influences the physical and chemical processes in their protoplanetary disks. Gas and dust in protoplanetary systems are excited by these photons, which are the dominant ionization source for hundreds of AU around the star. X-rays penetrate deep into disks and power complex chemistry on grain surfaces. ``Transitional disks'' are an important short-lived evolutionary stage for PMS stars and protoplanetary systems. These disks have transformed most of the dust and gas in their inner regions into planetesimals or larger solid bodies. As dust disks disappear after ages of roughly 5 Myr high levels of stellar magnetic activity persist and continue to bathe the newly-forming protoplanetary systems with intense high energy radiation. We present new X-ray and UV spectra for a sample of PMS stars at a variety of evolutionary stages, including the classical T Tauri stars DE Tau and DK Tau, the transitional disk stars GM Aur and HD135344B, the Herbig Ae star HD104237, and the weak-lined T Tauri star LkCa4, the Eta Cha cluster [age 7 Myr] members RECX1, RECX-11, and RECX-15, and TW Hya association [age 8 Myr] member TWA-2. These include the first results from our 111 orbit HST Large project and associated X-ray data. New and archival Chandra, XMM, and Swift X-ray spectra and HST COS+STIS FUV spectra are being used to reconstruct the full high energy (X-ray/EUV/FUV/NUV) spectra of these stars, thus allowing detailed modeling of the physics and chemistry of their circumstellar environments. The UV spectra provide improved emission line profiles revealing details of the magnetically-heated plasma and accretion and outflow processes. This work is supported by Chandra grants GO8-9024X, GO9-0015X and GO9-0020B and proposal 11200754 and HST GO grants 11336, 11616, and 11828.

Effect of ultraviolet irradiation on free radical scavenging activity of immunosuppressants used in lung transplantation and comparative electron paramagnetic resonance study of kinetics of their interactions with model free radicals.

PubMed

Stanjek-Cichoracka, A; Żegleń, S; Ramos, P; Pilawa, B; Wojarski, J

2018-06-01

The immunosuppressive drugs used in solid organ transplantation or autoimmunological processes were studied by electron paramagnetic resonance (EPR) spectroscopy to estimate their free radical scavenging activity. The interactions of immunosuppressants with free radicals were examined by an X-band (9.3 GHz) EPR spectroscopy and a model of DPPH free radicals. The EPR spectra of DPPH and DPPH interacting with individual drugs were compared. Kinetic studies were performed, and the effect of ultraviolet (UV) irradiation on the free radical scavenging activity of the tested drugs was determined. The free radical scavenging activity of non-irradiated drugs decreased in the order: rapamycin > mycophenolate mofetil > ciclosporin > tacrolimus. UV irradiation increased the free radical scavenging activity of all the tested immunosuppressive drugs, and the effect was highest for tacrolimus. For the non-irradiated samples, the speed of free radical interactions decreased in the order: ciclosporin > tacrolimus > mycophenolate mofetil > rapamycin. UV irradiation only slightly affected the speed of interactions of the immunosuppressive drugs with the model DPPH free radicals. Electron paramagnetic resonance spectroscopy is useful for obtaining information on interactions of immunosuppressive drugs with free radicals. We hypothesized that the long-term immunosuppressive effects of these drugs after transplantation or during autoimmune disorders may be mediated by anti-inflammatory action in addition to the known receptor/cell cycle inhibition. © 2018 John Wiley & Sons Ltd.

Photomorphogenic responses to ultraviolet-B light.

PubMed

Jenkins, Gareth I

2017-11-01

Exposure to ultraviolet B (UV-B) light regulates numerous aspects of plant metabolism, morphology and physiology through the differential expression of hundreds of genes. Photomorphogenic responses to UV-B are mediated by the photoreceptor UV RESISTANCE LOCUS8 (UVR8). Considerable progress has been made in understanding UVR8 action: the structural basis of photoreceptor function, how interaction with CONSTITUTIVELY PHOTOMORPHOGENIC 1 initiates signaling and how REPRESSOR OF UV-B PHOTOMORPHOGENESIS proteins negatively regulate UVR8 action. In addition, recent research shows that UVR8 mediates several responses through interaction with other signaling pathways, in particular auxin signaling. Nevertheless, many aspects of UVR8 action remain poorly understood. Most research to date has been undertaken with Arabidopsis, and it is important to explore the functions and regulation of UVR8 in diverse plant species. Furthermore, it is essential to understand how UVR8, and UV-B signaling in general, regulates processes under natural growth conditions. Ultraviolet B regulates the expression of many genes through UVR8-independent pathways, but the activity and importance of these pathways in plants growing in sunlight are poorly understood. © 2017 John Wiley & Sons Ltd.

A review on data and predictions of water dielectric spectra for calculations of van der Waals surface forces.

PubMed

Wang, Jianlong; Nguyen, Anh V

2017-12-01

Van der Waals forces are one of the important components of intermolecular, colloidal and surface forces governing many phenomena and processes. The latest examples include the colloidal interactions between hydrophobic colloids and interfaces in ambient (non-degassed) water in which dissolved gases and nanobubbles are shown to affect the van der Waals attractions significantly. The advanced computation of van der Waals forces in aqueous systems by the Lifshitz theory requires reliable data for water dielectric spectra. In this paper we review the available predictions of water dielectric spectra for calculating colloidal and surface van der Waals forces. Specifically, the available experimental data for the real and imaginary parts of the complex dielectric function of liquid water in the microwave, IR and UV regions and various corresponding predictions of the water spectra are critically reviewed. The data in the UV region are critical, but the available predictions are still based on the outdated data obtained in 1974 (for frequency only up to 25.5eV). We also reviewed and analysed the experimental data obtained for the UV region in 2000 (for frequency up to 50eV) and 2015 (for frequency up to 100eV). The 1974 and 2000 data require extrapolations to higher frequencies needed for calculating the van der Waals forces but remain inaccurate. Our analysis shows that the latest data of 2015 do not require the extrapolation and can be used to reliably calculate van der Waals forces. The most recent water dielectric spectra gives the (non-retarded) Hamaker constant, A=5.20×10 -20 J, for foam films of liquid water. This review provides the most updated and reliable water dielectric spectra to compute van der Waals forces in aqueous systems. Copyright © 2017 Elsevier B.V. All rights reserved.

An estimation methode for measurement of ultraviolet radiation during nondestructive testing

NASA Astrophysics Data System (ADS)

Hosseinipanah, M.; Movafeghi, A.; Farvadin, D.

2018-04-01

Dye penetrant testing and magnetic particle testing are among conventional NDT methods. For increased sensitivity, fluorescence dyes and particles can be used with ultraviolet (black) lights. UV flaw detection lights have different spectra. With the help of photo-filters, the output lights are transferred to UV-A and visible zones. UV-A light can be harmful to human eyes in some conditions. In this research, UV intensity and spectrum were obtained by a Radio-spectrometer for two different UV flaw detector lighting systems. According to the standards such as ASTM E709, UV intensity must be at least 10 W/m2 at a distance of 30 cm. Based on our measurements; these features not achieved in some lamps. On the other hand, intensity and effective intensity of UV lights must be below the some limits for prevention of unprotected eye damage. NDT centers are usually using some type of UV measuring devices. A method for the estimation of effective intensity of UV light has been proposed in this research.

Caught in the Act: UV spectroscopy of the ejecta-companion collision from a type Ia supernova

NASA Astrophysics Data System (ADS)

Kulkarni, Shrinivas

2017-08-01

There is now significant observational evidence for both of the leading models proposed to explain the origin of type Ia supernovae (SNe). While the majority of SNe Ia likely come from the merger of two white dwarf (WD) stars (known as the double degenerate model), a significant fraction are the result of a WD accreting mass from the hydrogen envelope of a binary companion (known as the single degenerate model). Eventually, as the accreting WD approaches the Chandrasekhar limit, the onset of unstable burning occurs ultimately leading to a thermonuclear explosion. With observational evidence for both channels firmly in place, future efforts to better understand the progenitors of SNe Ia will require detailed studies of individual systems.A fundamental expectation of the single degenerate model is that the collision of the blast wave with the donor star will produce a unique signature - a bright and rapidly declining UV pulse. This UV signal has only been previously observed in a single SN. Here, we propose to undertake STIS UV spectroscopy of one infant type Ia SN with similarly strong UV emission. The spectra will provide unique and detailed insight into the ejecta-companion interaction while also probing the chemical abundance of the outermost layers of the SN ejecta. The ejecta-companion signature is only visible UV, and HST/STIS is the only instrument capable of obtaining the spectra that are needed as a detailed probe of the interaction physics.

Light-induced fluorescence changes in Phycomyces: evidence for blue light-receptor associated flavo-semiquinones.

PubMed

Galland, Paul; Tölle, Nadja

2003-10-01

Light-induced fluorescence changes (LIFCs) were detected in sporangiophores of the blue-light-sensitive fungus Phycomyces blakesleeanus (Burgeff). The LIFCs can be utilized as a spectrophotometric assay for blue-light photoreceptors and for the in vivo characterization of their photochemical primary reactions. Blue-light irradiation of sporangiophores elicited a transient decrease and subsequent regeneration of flavin-like fluorescence emission at 525 nm. The signals recovered in darkness in about 120 min. In contrast to blue light, near-UV (370 nm) caused an increase in the fluorescence emission at 525 nm. Because the LIFCs were altered in a light-insensitive madC mutant with a defective photoreceptor, the fluorescence changes must be associated with early photochemical events of the transduction chain. Action spectra for the fluorescence changes at 525 nm showed major peaks near 470 and 600 nm. Double-pulse experiments involving two consecutive pulses of either blue and near-UV, blue and red, or near-UV and red showed that the responses depended on the sequence in which the different wavelengths were applied. The results indicate a blue-light receptor with intermediates in the near-UV, blue and red spectral regions. We explain the results in the framework of a general model, in which the three redox states of the flavin photoreceptor, the oxidized flavin (Fl), the flavo-semiquinone (FlH*), and the flavo-hydroquinone (FlH2) are each acting as chromophores with their own characteristic photochemical primary reactions. These consist of the photoreduction of the oxidized flavin generating semiquinone, the photoreduction of the semiquinone generating hydroquinone, and the photooxidation of the flavo-hydroquinone regenerating the pool of oxidized flavins. The proposed mechanism represents a photocycle in which two antagonistic photoreceptor forms, Fl and FlH2, determine the pool size of the biological effector molecule, the flavo-semiquinone. The redox changes that are associated with the photocycle are maintained by redox partners, pterins, that function in the near-UV as secondary chromophores.

A look into the invisible: ultraviolet-B sensitivity in an insect (Caliothrips phaseoli) revealed through a behavioural action spectrum

PubMed Central

Mazza, Carlos A.; Izaguirre, Miriam M.; Curiale, Javier; Ballaré, Carlos L.

2010-01-01

Caliothrips phaseoli, a phytophagous insect, detects and responds to solar ultraviolet-B radiation (UV-B; λ ≤ 315 nm) under field conditions. A highly specific mechanism must be present in the thrips visual system in order to detect this narrow band of solar radiation, which is at least 30 times less abundant than the UV-A (315–400 nm), to which many insects are sensitive. We constructed an action spectrum of thrips responses to light by studying their behavioural reactions to monochromatic irradiation under confinement conditions. Thrips were maximally sensitive to wavelengths between 290 and 330 nm; human-visible wavelengths (λ ≥ 400 nm) failed to elicit any response. All but six ommatidia of the thrips compound eye were highly fluorescent when exposed to UV-A of wavelengths longer than 330 nm. We hypothesized that the fluorescent compound acts as an internal filter, preventing radiation with λ > 330 nm from reaching the photoreceptor cells. Calculations based on the putative filter transmittance and a visual pigment template of λmax = 360 nm produced a sensitivity spectrum that was strikingly similar to the action spectrum of UV-induced behavioural response. These results suggest that specific UV-B vision in thrips is achieved by a standard UV-A photoreceptor and a sharp cut-off internal filter that blocks longer UV wavelengths in the majority of the ommatidia. PMID:19846453

Ultraviolet properties of the symbiotic stars

NASA Technical Reports Server (NTRS)

Slovak, M. H.; Lambert, D. L.

1982-01-01

A general discussion of the UV spectra of symbiotic stars, including both the emission lines and the continua, is presented, with AG Pegasi considered as an illustrative example. It is noted that the IUE observations of the symbiotics have revealed UV properties which rival the diversity of the optical features. Nevertheless, the UV data have for the first time permitted the hot component to be studied relatively uncontaminated by the giant companion, which dominates the optical regime. The UV observations provide convincing evidence that many of the symbiotics have hot stellar companions embedded in the enshrouding nebula or accretion shell formed from the wind from one or possibly both of the components.

Biosynthesis of silver nanoparticles using Sida acuta extract for antimicrobial actions and corrosion inhibition potential.

PubMed

Idrees, Muhammad; Batool, Saima; Kalsoom, Tanzila; Raina, Sadaf; Sharif, Hafiz Muhammad Adeel; Yasmeen, Summera

2018-02-12

Nanotechnology exhibits a multidisciplinary area and gained interests for researchers. Nanoparticles produced via physical and chemical methods affects ecosystem drastically. Green synthesis is the charming technique that is inexpensive and safe for the environment. This study aimed to explore the antibacterial actions of as-synthesized silver nanoparticles (Ag-NPs) against Escherichia coli, Staphylococcus aureus and Streptococcus faecalis. Also, the anti-corrosion actions confirmed that the Ag-NPs proved as good inhibitors. In this way, Ag-NPs were prepared via biosynthesis technique by consuming the ground leaves and stem of 'Sida acuta' as a capping agent. The Ag-NPs were formed by irradiation of the aqueous solution of silver nitrate (AgNO 3 ) with extract of S. acuta stem and leaves. The as-synthesized reaction mixture of Ag-NPs was found to exhibit an absorbance band at 446-447 nm, by an UV/VIS spectrophotometer, which is a characteristic of Ag-NPs due to the surface plasmon resonance absorption band. The X-ray diffraction and transmission electron microscopy (TEM) were used for the confirmation of Ag-NPs' variety dimension, morphology and dispersion. The infrared spectra confirmed the bio-fabrication of the Ag-NPs displayed the existence of conceivable functional groups responsible for the bio-reduction and capping. The antimicrobial actions were measured and the zone of inhibition was compared with standard antibiotics.

Conformational change results in loss of enzymatic activity of jack bean urease on its interaction with silver nanoparticle.

PubMed

Ponnuvel, Shobana; Subramanian, Balakumar; Ponnuraj, Karthe

2015-10-01

Urease is an enzyme produced by microbes such as bacteria, yeast and fungi. Plants also produce this enzyme. Urease action splits urea into ammonia and carbamate. This action is having important implications in agro-chemical, medicinal and environment. Therefore there is always a constant search for new and novel compounds which could inhibit this enzyme. Here we have studied the interaction of jack bean urease (JBU) with silver nanoparticle to analyze the influence of the resultant protein corona formation on the catalytic property of JBU. Several techniques like UV-Vis, gel shift assay and CD spectroscopy have been used to characterize this interaction. Urease activity assay suggests that the protein corona formation inhibits the enzymatic action of JBU. The loss of enzymatic action could be either due to the nanoparticle blocking the active site of JBU or a conformational change in the protein. The CD spectra of JBU-AgNP complexes clearly revealed significant changes in the secondary structural composition of the JBU and this could be the reason for the loss of enzymatic activity of JBU. This study revealed an interesting observation, where the interaction of AgNP with JBU resulted destabilization of hexameric nature of JBU which is otherwise highly stable. The results of the present study could be useful in the development of nanoparticle based material for inhibiting the ureolytic activity of ureases in different fields.

UV Resonant Raman Spectrometer with Multi-Line Laser Excitation

NASA Technical Reports Server (NTRS)

Lambert, James L.; Kohel, James M.; Kirby, James P.; Morookian, John Michael; Pelletier, Michael J.

2013-01-01

A Raman spectrometer employs two or more UV (ultraviolet) laser wavel engths to generate UV resonant Raman (UVRR) spectra in organic sampl es. Resonant Raman scattering results when the laser excitation is n ear an electronic transition of a molecule, and the enhancement of R aman signals can be several orders of magnitude. In addition, the Ra man cross-section is inversely proportional to the fourth power of t he wavelength, so the UV Raman emission is increased by another fact or of 16, or greater, over visible Raman emissions. The Raman-scatter ed light is collected using a high-resolution broadband spectrograph . Further suppression of the Rayleigh-scattered laser light is provi ded by custom UV notch filters.

Spectral Analysis of 3-(Adamantan-1-yl)-4-Ethyl-1-[(4-Phenylpiperazin-1-yl) Methyl]-1 H-1,2,4-Triazole-5(4 H)-Thione

NASA Astrophysics Data System (ADS)

Mindarava, Y. L.; Shundalau, M. B.; Al-Wahaibi, L. H.; El-Emam, A. A.; Matsukovich, A. S.; Gaponenko, S. V.

2018-05-01

Vibrational IR (3200-650 cm-1) and Raman spectra (3200-150 cm-1) of adamantane-containing 3-(adamantan-1-yl)-4-ethyl-1-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5(4H)-thione, which is promising for drug design, were examined. The UV/Vis spectrum (450-200 nm) of the compound in EtOH was measured. Full geometry optimization using density functional theory (DFT) in the B3LYP/cc-pVDZ approximation allowed the equilibrium configuration of the molecule to be determined and IR and Raman spectra to be calculated. Based on these, the experimental vibrational IR and Raman spectra were interpreted and the biological activity indices were predicted. The UV/Vis spectrum of the title compound was simulated at the time-dependent DFT/CAM-B3LYP/cc-pVDZ level with and without solvent effects and at the ab initio multi-reference perturbation theory XMCQDPT2 level. The UV/Vis spectrum that was simulated using the multi-reference XMCQDPT2 approximation agreed very successfully with the experimental data, in contrast to the single-reference DFT method. This was probably a consequence of intramolecular charge transfer.

Prediction of the Ultraviolet-Visible Absorption Spectra of Polycyclic Aromatic Hydrocarbons (Dibenzo and Naphtho) Derivatives of Fluoranthene.

PubMed

Oña-Ruales, Jorge O; Ruiz-Morales, Yosadara

2017-06-01

The annellation theory method has been used to predict the locations of maximum absorbance (LMA) of the ultraviolet-visible (UV-Vis) spectral bands in the group of polycyclic aromatic hydrocarbons (PAHs) C 24 H 14 (dibenzo and naphtho) derivatives of fluoranthene (DBNFl). In this group of 21 PAHs, ten PAHs present a sextet migration pattern with four or more benzenoid rings that is potentially related to a high molecular reactivity and high mutagenic conduct. This is the first time that the locations of maximum absorbance in the UV-Vis spectra of naphth[1,2- a]aceanthrylene, dibenz[ a,l]aceanthrylene, indeno[1,2,3- de]naphthacene, naphtho[1,2- j]fluoranthene, naphth[2,1- e]acephenanthrylene, naphth[2,1- a]aceanthrylene, dibenz[ a,j]aceanthrylene, naphth[1,2- e]acephenanthrylene, and naphtho[2,1- j]fluoranthene have been predicted. Also, this represents the first report about the application of the annellation theory for the calculation of the locations of maximum absorbance in the UV-Vis spectra of PAHs with five-membered rings. Furthermore, this study constitutes the premier investigation beyond the pure benzenoid classical approach toward the establishment of a generalized annellation theory that will encompass not only homocyclic benzenoid and non-benzenoid PAHs, but also heterocyclic compounds.

Metallicity Differences in Type Ia Supernova Progenitors Inferred from Ultraviolet Spectra

NASA Astrophysics Data System (ADS)

Foley, Ryan J.; Kirshner, Robert P.

2013-05-01

Two "twin" Type Ia supernovae (SNe Ia), SNe 2011by and 2011fe, have extremely similar optical light-curve shapes, colors, and spectra, yet have different ultraviolet (UV) continua as measured in Hubble Space Telescope spectra and measurably different peak luminosities. We attribute the difference in the UV continua to significantly different progenitor metallicities. This is the first robust detection of different metallicities for SN Ia progenitors. Theoretical reasoning suggests that differences in metallicity also lead to differences in luminosity. SNe Ia with higher progenitor metallicities have lower 56Ni yields and lower luminosities for the same light-curve shape. SNe 2011by and 2011fe have different peak luminosities (ΔMV ≈ 0.6 mag), which correspond to different 56Ni yields: M_11fe(^{56}Ni) / M_11by(^{56}Ni) = 1.7^{+0.7}_{-0.5}. From theoretical models that account for different neutron-to-proton ratios in progenitors, the differences in 56Ni yields for SNe 2011by and 2011fe imply that their progenitor stars were above and below solar metallicity, respectively. Although we can distinguish progenitor metallicities in a qualitative way from UV data, the quantitative interpretation in terms of abundances is limited by the present state of theoretical models.

Establishing the spectral turnover of blazar PKS 2155-304 as an outcome of radiative losses

NASA Astrophysics Data System (ADS)

Jagan, Sitha K.; Sahayanathan, S.; Misra, R.; Ravikumar, C. D.; Jeena, K.

2018-07-01

The broad-band optical/UV and X-ray spectra of blazars have been often modelled as synchrotron component arising from a broken power-law distribution of electrons. A broken power-law distribution is expected, since the high-energy electrons undergo radiative losses effectively. The change in the energy index should then be ≈1 and corresponds to a spectral index difference of 0.5. However, one of the long outstanding problems has been that the observed index change is significantly different. On the other hand, recent high-quality observations of blazars suggest that their local spectra may not be a power law, instead have a slight curvature and often represented by a log-parabola model. Using XMM-Newtonobservations spanning over 12 yr for the BL Lac PKS 2155-304, we show that the optical/UV and X-ray spectra can be well represented by a broken log-parabola model. Further, we show that such a spectrum can indicate the energy dependence of the electron escape time-scale from the main acceleration zone. This novel approach, besides addressing the observed difference in the photon spectral indices, also tries to explain the spectral turn over in far-UV/soft X-rays as a result of the radiative losses.

Characterization and activity of Pd-modified TiO2 catalysts for photocatalytic oxidation of NO in gas phase.

PubMed

Wu, Zhongbiao; Sheng, Zhongyi; Liu, Yue; Wang, Haiqiang; Tang, Nian; Wang, Jie

2009-05-30

Pd-modified TiO(2) prepared by thermal impregnation method was used in this study for photocatalytic oxidation of NO in gas phase. The physico-chemical properties of Pd/TiO(2) catalysts were characterized by X-ray diffraction analysis (XRD), Brunauer-Emmett-Teller measurements (BET), X-ray photoelectron spectrum analysis (XPS), transmission electron microscopy (TEM), high resolution-transmission electron microscopy (HR-TEM), UV-vis diffuse reflectance spectra (UV-vis DRS) and photoluminescence spectra (PL). It was found that Pd dopant existed as PdO particles in as-prepared photocatalysts. The results of PL spectra indicated that the photogenerated electrons and holes were efficiently separated after Pd doping. During in situ XPS study, it was found that the content of hydroxyl groups on the surface of Pd/TiO(2) increased when the catalyst was irradiated by UV light, which could result in the improvement of photocatalytic activity. The activity test showed that the optimum Pd dopant content was 0.05 wt.%. And the maximum conversion of NO was about 72% higher than that of P25 when the initial concentration of NO was 200 ppm, which showed that Pd/TiO(2) photocatalysts could be potentially applied to oxidize higher concentration of NO.

Standardized UV-vis spectra as the foundation for a threshold-based, integrated photosafety evaluation.

PubMed

Bauer, Daniel; Averett, Lacey A; De Smedt, Ann; Kleinman, Mark H; Muster, Wolfgang; Pettersen, Betty A; Robles, Catherine

2014-02-01

Phototoxicity is a relatively common phenomenon and is an adverse effect of some systemic drugs. The fundamental initial step of photochemical reactivity is absorption of a photon; however, little guidance has been provided thus far regarding how ultraviolet-visible (UV-vis) light absorption spectra may be used to inform testing strategies for investigational drugs. Here we report the results of an inter-laboratory study comparing the data from harmonized UV-vis light absorption spectra obtained in methanol with data from the in vitro 3T3 Neutral Red Uptake Phototoxicity Test. Six pharmaceutical companies submitted data according to predefined quality criteria for 76 compounds covering a wide range of chemical classes showing a diverse but "positive"-enhanced distribution of photo irritation factors (22%: PIF<2, 12%: PIF 2-5, 66%: PIF>5). For compounds being formally positive (PIF value above 5) the lowest reported molar extinction coefficient (MEC) was 1700 L mol⁻¹ cm⁻¹ in methanol. However, the majority of these formally positive compounds showed MEC values being significantly higher (up to almost 40,000 L mol⁻¹ cm⁻¹). In conclusion, an MEC value of 1000 L mol⁻¹ cm⁻¹ may represent a reasonable and pragmatic threshold warranting further experimental photosafety evaluation. Copyright © 2013 Elsevier Inc. All rights reserved.

The Optical/UV Excess of X-Ray-dim Isolated Neutron Stars. I. Bremsstrahlung Emission from a Strangeon Star Atmosphere

NASA Astrophysics Data System (ADS)

Wang, Weiyang; Lu, Jiguang; Tong, Hao; Ge, Mingyu; Li, Zhaosheng; Men, Yunpeng; Xu, Renxin

2017-03-01

X-ray-dim isolated neutron stars (XDINSs) are characterized by Planckian spectra in X-ray bands, but show optical/ultraviolet (UV) excesses: the factors by which the measured photometry exceeds those extrapolated from X-ray spectra. To solve this problem, a radiative model of bremsstrahlung emission from a plasma atmosphere is established in the regime of a strangeon star. A strangeon star atmosphere could simply be regarded as the upper layer of a normal neutron star. This plasma atmosphere, formed and maintained by the interstellar-medium-accreted matter due to the so-called strangeness barrier, is supposed to be of two temperatures. All seven XDINS spectra could be well fitted by the radiative model, from optical/UV to X-ray bands. The fitted radiation radii of XDINSs are from 7 to 13 km, while the modeled electron temperatures are between 50 and 250 eV, except RX J0806.4-4123, with a radiation radius of ˜3.5 km, indicating that this source could be a low-mass strangeon star candidate. This strangeon star model could further be tested by soft X-ray polarimetry, such as the Lightweight Asymmetry and Magnetism Probe, which is expected to be operational on China’s space station around 2020.

Spectral Analysis of 3-(Adamantan-1-yl)-4-Ethyl-1-[(4-Phenylpiperazin-1-yl) Methyl]-1H-1,2,4-Triazole-5(4H)-Thione

NASA Astrophysics Data System (ADS)

Mindarava, Y. L.; Shundalau, M. B.; Al-Wahaibi, L. H.; El-Emam, A. A.; Matsukovich, A. S.; Gaponenko, S. V.

2018-05-01

Vibrational IR (3200-650 cm-1) and Raman spectra (3200-150 cm-1) of adamantane-containing 3-(adamantan-1-yl)-4-ethyl-1-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5(4H)-thione, which is promising for drug design, were examined. The UV/Vis spectrum (450-200 nm) of the compound in EtOH was measured. Full geometry optimization using density functional theory (DFT) in the B3LYP/cc-pVDZ approximation allowed the equilibrium configuration of the molecule to be determined and IR and Raman spectra to be calculated. Based on these, the experimental vibrational IR and Raman spectra were interpreted and the biological activity indices were predicted. The UV/Vis spectrum of the title compound was simulated at the time-dependent DFT/CAM-B3LYP/cc-pVDZ level with and without solvent effects and at the ab initio multi-reference perturbation theory XMCQDPT2 level. The UV/Vis spectrum that was simulated using the multi-reference XMCQDPT2 approximation agreed very successfully with the experimental data, in contrast to the single-reference DFT method. This was probably a consequence of intramolecular charge transfer.

Optical and ultraviolet spectroscopic analysis of SN 2011fe at late times

NASA Astrophysics Data System (ADS)

Friesen, Brian; Baron, E.; Parrent, Jerod T.; Thomas, R. C.; Branch, David; Nugent, Peter E.; Hauschildt, Peter H.; Foley, Ryan J.; Wright, Darryl E.; Pan, Yen-Chen; Filippenko, Alexei V.; Clubb, Kelsey I.; Silverman, Jeffrey M.; Maeda, Keiichi; Shivvers, Isaac; Kelly, Patrick L.; Cohen, Daniel P.; Rest, Armin; Kasen, Daniel

2017-05-01

We present optical spectra of the nearby Type Ia supernova SN 2011fe at 100, 205, 311, 349 and 578 d post-maximum light, as well as an ultraviolet (UV) spectrum obtained with the Hubble Space Telescope at 360 d post-maximum light. We compare these observations with synthetic spectra produced with the radiative transfer code phoenix. The day +100 spectrum can be well fitted with models that neglect collisional and radiative data for forbidden lines. Curiously, including these data and recomputing the fit yields a quite similar spectrum, but with different combinations of lines forming some of the stronger features. At day +205 and later epochs, forbidden lines dominate much of the optical spectrum formation; however, our results indicate that recombination, not collisional excitation, is the most influential physical process driving spectrum formation at these late times. Consequently, our synthetic optical and UV spectra at all epochs presented here are formed almost exclusively through recombination-driven fluorescence. Furthermore, our models suggest that the UV spectrum even as late as day +360 is optically thick and consists of permitted lines from several iron-peak species. These results indicate that the transition to the 'nebular' phase in Type Ia supernovae is complex and highly wavelength dependent.

Optical and ultraviolet spectroscopic analysis of SN 2011fe at late times

DOE PAGES

Friesen, Brian; Baron, E.; Parrent, Jerod T.; ...

2017-02-27

This paper presents optical spectra of the nearby Type Ia supernova SN 2011fe at 100, 205, 311, 349 and 578 d post-maximum light, as well as an ultraviolet (UV) spectrum obtained with the Hubble Space Telescope at 360 d post-maximum light. We compare these observations with synthetic spectra produced with the radiative transfer code PHOENIX. The day +100 spectrum can be well fitted with models that neglect collisional and radiative data for forbidden lines. Curiously, including these data and recomputing the fit yields a quite similar spectrum, but with different combinations of lines forming some of the stronger features. Atmore » day +205 and later epochs, forbidden lines dominate much of the optical spectrum formation; however, our results indicate that recombination, not collisional excitation, is the most influential physical process driving spectrum formation at these late times. Consequently, our synthetic optical and UV spectra at all epochs presented here are formed almost exclusively through recombinationdriven fluorescence. Furthermore, our models suggest that the UV spectrum even as late as day +360 is optically thick and consists of permitted lines from several iron-peak species. These results indicate that the transition to the 'nebular' phase in Type Ia supernovae is complex and highly wavelength dependent.« less

The Optical/UV Excess of X-Ray-dim Isolated Neutron Stars. I. Bremsstrahlung Emission from a Strangeon Star Atmosphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Weiyang; Lu, Jiguang; Men, Yunpeng

X-ray-dim isolated neutron stars (XDINSs) are characterized by Planckian spectra in X-ray bands, but show optical/ultraviolet (UV) excesses: the factors by which the measured photometry exceeds those extrapolated from X-ray spectra. To solve this problem, a radiative model of bremsstrahlung emission from a plasma atmosphere is established in the regime of a strangeon star. A strangeon star atmosphere could simply be regarded as the upper layer of a normal neutron star. This plasma atmosphere, formed and maintained by the interstellar-medium-accreted matter due to the so-called strangeness barrier, is supposed to be of two temperatures. All seven XDINS spectra could bemore » well fitted by the radiative model, from optical/UV to X-ray bands. The fitted radiation radii of XDINSs are from 7 to 13 km, while the modeled electron temperatures are between 50 and 250 eV, except RX J0806.4–4123, with a radiation radius of ∼3.5 km, indicating that this source could be a low-mass strangeon star candidate. This strangeon star model could further be tested by soft X-ray polarimetry, such as the Lightweight Asymmetry and Magnetism Probe, which is expected to be operational on China’s space station around 2020.« less

Field test of a new instrument to measure UV/Vis (300-700 nm) ambient aerosol extinction spectra in Colorado during DISCOVER-AQ

NASA Astrophysics Data System (ADS)

Jordan, C. E.; Anderson, B. E.; Beyersdorf, A. J.; Dibb, J. E.; Greenslade, M. E.; Martin, R.; Scheuer, E. M.; Shook, M.; Thornhill, K. L., II; Troop, D.; Winstead, E.; Ziemba, L. D.

2014-12-01

An optical instrument has been developed to investigate aerosol extinction spectra in the ambient atmosphere. Based on a White-type cell design and using a differential optical approach, aerosol extinction spectra over the 300-700 nm ultraviolet and visible (UV/Vis) wavelength range are obtained. Laboratory tests conducted at NASA Langley Research Center (NASA LaRC) in March 2014 showed good agreement with Cavity Attenuated Phase Shift (CAPS PMex, Aerodyne Research) extinction measurements (at 450, 530, and 630 nm) for a variety of aerosols, e.g., scatterers such as polystyrene latex spheres and ammonium sulfate; absorbers such as dust (including pigmented minerals), smoke (generated in a miniCAST burning propane) and laboratory smoke analogs (e.g., fullerene soot and aquadag). The instrument was field tested in Colorado in July and August 2014 aboard the NASA mobile laboratory at various ground sites during the DISCOVER-AQ (Deriving Information on Surface Conditions from Column and Vertically Resolved Observations Relevant to Air Quality) field campaign. A description of the instrument, results from the laboratory tests, and summer field data will be presented. The instrument provides a new tool for probing in situ aerosol optical properties that may help inform remote sensing approaches well into the UV range.

Vibrational, UV spectra, NBO, first order hyperpolarizability and HOMO-LUMO analysis of carvedilol

NASA Astrophysics Data System (ADS)

Swarnalatha, N.; Gunasekaran, S.; Nagarajan, M.; Srinivasan, S.; Sankari, G.; Ramkumaar, G. R.

2015-02-01

In this work, we have investigated experimentally and theoretically on the molecular structure, vibrational spectra, UV spectral analysis and NBO studies of cardio-protective drug carvedilol. The FT-Raman and FT-IR spectra for carvedilol in the solid phase have been recorded in the region 4000-100 cm-1 and 4000-400 cm-1 respectively. Theoretical calculations were performed by using density functional theory (DFT) method at B3LYP/6-31G(d,p) and B3LYP/6-31++G(d,p) basis set levels. The harmonic vibrational frequencies, the optimized geometric parameters have been interpreted and compared with the reported experimental values. The complete vibrational assignments were performed on the basis of potential energy distribution (PED) of the vibrational modes. The thermodynamic properties and molecular electrostatic potential surfaces of the molecule were constructed. The electronic absorption spectrum was recorded in the region 400-200 nm and electronic properties such as HOMO and LUMO energies were calculated. The stability of the molecule arising from hyper conjugative interactions and charge delocalization have been analyzed from natural bond orbital (NBO) analysis. The first order hyperpolarizability of the title molecule was also calculated. The photo stability of carvedilol under different storage conditions were analyzed using UV-Vis spectral technique.

Establishing the spectral turnover of blazar PKS 2155-304 as an outcome of radiative losses

NASA Astrophysics Data System (ADS)

Jagan, Sitha K.; Sahayanathan, S.; Misra, R.; Ravikumar, C. D.; Jeena, K.

2018-06-01

The broad-band optical/UV and X-ray spectra of blazars have been often modelled as synchrotron component arising from a broken power-law distribution of electrons. A broken power-law distribution is expected, since the high energy electrons undergo radiative losses effectively. The change in the energy index should then be ≈1 and corresponds to a spectral index difference of 0.5. However, one of the long outstanding problems has been that the observed index change is significantly different. On the other hand, recent high quality observations of blazars suggest that their local spectra may not be a power-law, instead have a slight curvature and often represented by a log parabola model. Using XMM-Newton observations spanning over 12 years for the BL Lac PKS 2155-304, we show that the optical/UV and X-ray spectra can be well represented by a broken log parabola model. Further, we show that such a spectrum can indicate the energy dependence of the electron escape time-scale from the main acceleration zone. This novel approach, besides addressing the observed difference in the photon spectral indices, also tries to explain the spectral turn over in far-UV/soft X-rays as a result of the radiative losses.

Spectroscopic investigation on assisted sonocatalytic damage of bovine serum albumin (BSA) by metronidazole (MTZ) under ultrasonic irradiation combined with nano-sized ZnO

NASA Astrophysics Data System (ADS)

Gao, Jingqun; Liu, Bin; Wang, Jun; Jin, Xudong; Jiang, Renzheng; Liu, Lijun; Wang, Baoxin; Xu, Yongnan

2010-11-01

The previous work proved that the bovine serum albumin (BSA) could be damaged under the combined action of ultrasonic irradiation and ZnO. In this work, the assisted sonocatalytic damage of BSA using metronidazole (MTZ) as a sensitizer was further investigated by means of UV-vis and fluorescence spectra. The results indicated that the adding of MTZ could obviously promote the sonocatalytic damage of BSA under ultrasonic irradiation in the presence of nano-sized ZnO powder. Furthermore, it was found that the damage degree of BSA was aggravated by some influencing factors except ionic kind and strength. In addition, the damage site of BSA was also studied with synchronous fluorescence technology. It was found that the damage site was mainly at tryptophan (Trp) residue.

Plastics and beaches: a degrading relationship.

PubMed

Corcoran, Patricia L; Biesinger, Mark C; Grifi, Meriem

2009-01-01

Plastic debris in Earth's oceans presents a serious environmental issue because breakdown by chemical weathering and mechanical erosion is minimal at sea. Following deposition on beaches, plastic materials are exposed to UV radiation and physical processes controlled by wind, current, wave and tide action. Plastic particles from Kauai's beaches were sampled to determine relationships between composition, surface textures, and plastics degradation. SEM images indicated that beach plastics feature both mechanically eroded and chemically weathered surface textures. Granular oxidation textures were concentrated along mechanically weakened fractures and along the margins of the more rounded plastic particles. Particles with oxidation textures also produced the most intense peaks in the lower wavenumber region of FTIR spectra. The textural results suggest that plastic debris is particularly conducive to both chemical and mechanical breakdown in beach environments, which cannot be said for plastics in other natural settings on Earth.

UV and VUV spectroscopy and photochemistry of small molecules in a supersonic jet

NASA Technical Reports Server (NTRS)

Ruehl, E.; Vaida, V.

1990-01-01

UV and VUV absorption and emission spectroscopy is used to probe jet cooled molecules, free radicals, and clusters in the gas phase. Due to efficient cooling inhomogeneous effects on spectral line widths are eliminated. Therefore from these spectra, both structural and dynamical information is obtained. The photoproducts of these reactions are probed by resonance enhanced multiphoton ionization.

The use of UV-visible reflectance spectroscopy as an objective tool to evaluate pearl quality.

PubMed

Agatonovic-Kustrin, Snezana; Morton, David W

2012-07-01

Assessing the quality of pearls involves the use of various tools and methods, which are mainly visual and often quite subjective. Pearls are normally classified by origin and are then graded by luster, nacre thickness, surface quality, size, color and shape. The aim of this study was to investigate the capacity of Artificial Neural Networks (ANNs) to classify and estimate the quality of 27 different pearls from their UV-Visible spectra. Due to the opaque nature of pearls, spectroscopy measurements were performed using the Diffuse Reflectance UV-Visible spectroscopy technique. The spectra were acquired at two different locations on each pearl sample in order to assess surface homogeneity. The spectral data (inputs) were smoothed to reduce the noise, fed into ANNs and correlated to the pearl's quality/grading criteria (outputs). The developed ANNs were successful in predicting pearl type, mollusk growing species, possible luster and color enhancing, donor condition/type, recipient/host color, donor color, pearl luster, pearl color, origin. The results of this study shows that the developed UV-Vis spectroscopy-ANN method could be used as a more objective method of assessing pearl quality (grading) and may become a valuable tool for the pearl grading industry.

Improved analysis of Monascus pigments based on their pH-sensitive UV-Vis absorption and reactivity properties.

PubMed

Shi, Kan; Chen, Gong; Pistolozzi, Marco; Xia, Fenggeng; Wu, Zhenqiang

2016-09-01

Monascus pigments, a mixture of azaphilones mainly composed of red, orange and yellow pigments, are usually prepared in aqueous ethanol and analysed by ultraviolet-visible (UV-Vis) spectroscopy. The pH of aqueous ethanol used during sample preparation and analysis has never been considered a key parameter to control; however, this study shows that the UV-Vis spectra and colour characteristics of the six major pigments are strongly influenced by the pH of the solvent employed. In addition, the increase of solvent pH results in a remarkable increase of the amination reaction of orange pigments with amino compounds, and at higher pH (≥ 6.0) a significant amount of orange pigment derivatives rapidly form. The consequent impact of these pH-sensitive properties on pigment analysis is further discussed. Based on the presented results, we propose that the sample preparation and analysis of Monascus pigments should be uniformly performed at low pH (≤ 2.5) to avoid variations of UV-Vis spectra and the creation of artefacts due to the occurrence of amination reactions, and ensure an accurate analysis that truly reflects pigment characteristics in the samples.

Vibrational and UV spectroscopic studies of 2-coumaranone by experimental and density functional theory calculations

NASA Astrophysics Data System (ADS)

Priya, Y. Sushma; Rao, K. Ramachandra; Chalapathi, P. V.; Satyavani, M.; Veeraiah, A.

2017-09-01

The vibrational and electronic properties of 2-coumaranone have been reported in the ground state using experimental techniques (FT-IR, FT-Raman, UV spectra and fluorescence microscopic imaging) and density functional theory (DFT) employing B3LYP correlation with the 6-31G(d, p) basis set. The theoretically reported optimized parameters, vibrational frequencies etc., were compared with the experimental values, which yielded good concurrence between the experimental and calculated values. The assignments of the vibrational spectra were done with the help of normal co-ordinate analysis (NCA) following the Scaled Quantum Mechanical Force Field(SQMFF) methodology. The whole assignments of fundamental modes were based on the potential energy distribution (PED) matrix. The electric dipole moment and the first order hyperpolarizability of the 2-coumaranone have been computed using quantum mechanical calculations. NBO and HOMO, LUMO analyses have been carried out. UV spectrum of 2-coumaranone was recorded in the region 100-300 nm and compared with the theoretical UV spectrum using TD-DFT and SAC-CI methods by which a good agreement is observed. Fluorescence microscopic imaging study reflects that the compound fluoresces in the green-yellow region.

Potential of far-ultraviolet absorption spectroscopy as a highly sensitive qualitative and quantitative analysis method for polymer films, part I: classification of commercial food wrap films.

PubMed

Sato, Harumi; Higashi, Noboru; Ikehata, Akifumi; Koide, Noriko; Ozaki, Yukihiro

2007-07-01

The aim of the present study is to propose a totally new technique for the utilization of far-ultraviolet (UV) spectroscopy in polymer thin film analysis. Far-UV spectra in the 120-300 nm region have been measured in situ for six kinds of commercial polymer wrap films by use of a novel type of far-UV spectrometer that does not need vacuum evaporation. These films can be straightforwardly classified into three groups, polyethylene (PE) films, polyvinyl chloride (PVC) films, and polyvinylidene chloride (PVDC) films, by using the raw spectra. The differences in the wavelength of the absorption band due to the sigma-sigma* transition of the C-C bond have been used for the classification of the six kinds of films. Using this method, it was easy to distinguish the three kinds of PE films and to separate the two kinds of PVDC films. Compared with other spectroscopic methods, the advantages of this technique include nondestructive analysis, easy spectral measurement, high sensitivity, and simple spectral analysis. The present study has demonstrated that far-UV spectroscopy is a very promising technique for polymer film analysis.

Tunable blue-green emission and energy transfer properties in β-Ca3(PO4)2:Eu(2+), Tb(3+) phosphors with high quantum efficiencies for UV-LEDs.

PubMed

Li, Kai; Zhang, Yang; Li, Xuejiao; Shang, Mengmeng; Lian, Hongzhou; Lin, Jun

2015-03-14

A series of Eu(2+) and Tb(3+) singly-doped and co-doped β-Ca3(PO4)2 phosphors have been synthesized via the high-temperature solid-state reaction method. Thermogravimetric (TG) analysis, fourier transform infrared (FT-IR) spectra, X-ray diffraction (XRD) patterns and Rietveld refinements, photoluminescence (PL) spectra including temperature-dependent PL and quantum efficiency, and fluorescence decay lifetimes have been used to characterise the as-prepared samples. Under UV excitation, β-Ca3(PO4)2:Eu(2+) presents a broad emission band centered at 415 nm, which can be decomposed into five symmetrical bands peaking at 390, 408, 421, 435 and 511 nm based on the substitution of five kinds of Ca(2+) sites by Eu(2+) ions. β-Ca3(PO4)2:Tb(3+) shows characteristic emission lines under Tb(3+) 4f-5d transition excitation around 223 nm. In β-Ca3(PO4)2:Eu(2+), Tb(3+) phosphors, similar excitation spectra monitored at 415 and 547 nm have been observed, which illustrates the possibility of energy transfer from Eu(2+) to Tb(3+) ions. The variations in the emission spectra and decay lifetimes further demonstrate the existence of energy transfer from Eu(2+) to Tb(3+) ions under UV excitation. The energy transfer mechanism has been confirmed to be dipole-quadrupole, which can be validated via the agreement of critical distances obtained from the concentration quenching (12.11 Å) and spectrum overlap methods (9.9-13.2 Å). The best quantum efficiency can reach 90% for the β-Ca3(PO4)2:0.01Eu(2+), 0.15Tb(3+) sample under 280 nm excitation. These results show that the developed phosphors may possess potential applications in UV-pumped white light-emitting diodes.

The Intrinsically X-Ray-weak Quasar PHL 1811. II. Optical and UV Spectra and Analysis

NASA Astrophysics Data System (ADS)

Leighly, Karen M.; Halpern, Jules P.; Jenkins, Edward B.; Casebeer, Darrin

2007-11-01

This is the second of two papers reporting observations and analysis of the unusually bright (mb=14.4), luminous (MB=-25.5), nearby (z=0.192) narrow-line quasar PHL 1811. The first paper reported that PHL 1811 is intrinsically X-ray-weak and presented a spectral energy distribution (SED). Here we present HST STIS optical and UV spectra, and ground-based optical spectra. The optical and UV line emission is very unusual. There is no evidence for forbidden or semiforbidden lines. The near-UV spectrum is dominated by very strong Fe II and Fe III, and unusual low-ionization lines such as Na I D and Ca II H and K are observed. High-ionization lines are very weak; C IV has an equivalent width of 6.6 Å, a factor of ~5 smaller than measured from quasar composite spectra. An unusual feature near 1200 Å can be deblended in terms of Lyα, N V, Si II, and C III* using the blueshifted C IV profile as a template. Photoionization modeling shows that the unusual line emission can be explained qualitatively by the unusually soft SED. Principally, a low gas temperature results in inefficient emission of collisionally excited lines, including the semiforbidden lines generally used as density diagnostics. The emission resembles that of high-density gas; in both cases this is a consequence of inefficient cooling. PHL 1811 is very unusual, but we note that quasar surveys may be biased against finding similar objects. Based on observations made with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS5-26555. These observations are associated with proposal 9181. Based on observations obtained at Kitt Peak National Observatory, a division of the National Optical Astronomy Observatories, which is operated by the Association of Universities for Research in Astronomy, Inc., under cooperative agreement with the National Science Foundation.

A rapid approach for measuring silver nanoparticle concentration and dissolution in seawater by UV-Vis.

PubMed

Sikder, Mithun; Lead, Jamie R; Chandler, G Thomas; Baalousha, Mohammed

2018-03-15

Detection and quantification of engineered nanoparticles (NPs) in environmental systems is challenging and requires sophisticated analytical equipment. Furthermore, dissolution is an important environmental transformation process for silver nanoparticles (AgNPs) which affects the size, speciation and concentration of AgNPs in natural water systems. Herein, we present a simple approach for the detection, quantification and measurement of dissolution of PVP-coated AgNPs (PVP-AgNPs) based on monitoring their optical properties (extinction spectra) using UV-vis spectroscopy. The dependence of PVP-AgNPs extinction coefficient (ɛ) and maximum absorbance wavelength (λ max ) on NP size was experimentally determined. The concentration, size, and extinction spectra of PVP-AgNPs were characterized during dissolution in 30ppt synthetic seawater. AgNPs concentration was determined as the difference between the total and dissolved Ag concentrations measured by inductively coupled plasma-mass spectroscopy (ICP-MS); extinction spectra of PVP-AgNPs were monitored by UV-vis; and size evolution was monitored by atomic force microscopy (AFM) over a period of 96h. Empirical equations for the dependence of maximum absorbance wavelength (λ max ) and extinction coefficient (ɛ) on NP size were derived. These empirical formulas were then used to calculate the size and concentration of PVP-AgNPs, and dissolved Ag concentration released from PVP-AgNPs in synthetic seawater at variable particle concentrations (i.e. 25-1500μgL -1 ) and in natural seawater at particle concentration of 100μgL -1 . These results suggest that UV-vis can be used as an easy and quick approach for detection and quantification (size and concentration) of sterically stabilized PVP-AgNPs from their extinction spectra. This approach can also be used to monitor the release of Ag from PVP-AgNPs and the concurrent NP size change. Finally, in seawater, AgNPs dissolve faster and to a higher extent with the decrease in NP concentration toward environmentally relevant concentrations. Copyright © 2017 Elsevier B.V. All rights reserved.

Specific action of T4 endonuclease V on damaged DNA in xeroderma pigmentosum cells in vivo. [UV radiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tanaka, K.; Hayakawa, H.; Sekiguchi, M.

1977-07-01

The specific action of T4 endonuclease V on damaged DNA in xeroderma pigmentosum cells was examined using an in vivo assay system with hemagglutinating virus of Japan (Sendai virus) inactivated by uv light. A clear dose response was observed between the level of uv-induced unscheduled DNA synthesis of xeroderma pigmentosum cells and the amount of T4 endonuclease V activity added. The T4 enzyme was unstable in human cells, and its half-life was 3 hr. Fractions derived from an extract of Escherichia coli infected with T4v/sub 1/, a mutant defective in the endonuclease V gene, showed no ability to restore themore » uv-induced unscheduled DNA synthesis of xeroderma pigmentosum cells. However, fractions derived from an extract of T4D-infected E. coli with endonuclease V activity were effective. The T4 enzyme was effective in xeroderma pigmentosum cells on DNA damaged by uv light but not in cells damaged by 4-nitroquinoline 1-oxide. The results of these experiments show that the T4 enzyme has a specific action on human cell DNA in vivo. Treatment with the T4 enzyme increased the survival of group A xeroderma pigmentosum cells after uv irradiation.« less

Spatially resolved rest-UV spectroscopy of a prototypical quasar driven superwind at low-z

NASA Astrophysics Data System (ADS)

Johnson, Sean

2017-08-01

Powerful galaxy-wide winds launched by quasars are thought to be a common evolutionary phase of massive galaxies, but observations of this phenomena are scarce. We have conducted a multi-wavelength observational campaign for J1356+1026, a poster-child obscured quasar driving a superwind at z=0.123. J1356+1026 is driving a nuclear molecular outflow and an extended ionized outflow observed as an [OIII] emitting bubble at 10 kpc that is spatially coincident with soft X-ray emission. Quasar-driven winds carry material at a wide range of densities and temperatures making it difficult to measure their energetics and the dominant phases are unknown. Here we propose spatially resolved rest-UV spectroscopy by acquiring circum-nuclear absorption spectra of J1356+1026 and emission spectra of its off-nucleus bubble using COS+G140L. The circum-nuclear spectrum will provide measurements of the outflow velocity through blueshifted absorption while the off-nuclear spectrum of the bubble will measure the ionization state and mechanisms of the outflow through powerful UV diagnostic lines. Together, these spectra will enable a more complete mass, energy and momentum accounting of a spatially resolved quasar driven superwind for the first time. Furthermore, detection of shocked gas through OVI emission will enable us to infer properties of the enigmatic volume-filling, low density component of the wind. To our knowledge, this will be the first spatially resolved rest UV spectroscopy of a quasar wind and the proposed observations will serve as a pilot to guide future HST proposals.

Identification of intermediates in zeolite-catalyzed reactions by in situ UV/Vis microspectroscopy and a complementary set of molecular simulations.

PubMed

Hemelsoet, Karen; Qian, Qingyun; De Meyer, Thierry; De Wispelaere, Kristof; De Sterck, Bart; Weckhuysen, Bert M; Waroquier, Michel; Van Speybroeck, Veronique

2013-12-02

The optical absorption properties of (poly)aromatic hydrocarbons occluded in a nanoporous environment were investigated by theoretical and experimental methods. The carbonaceous species are an essential part of a working catalyst for the methanol-to-olefins (MTO) process. In situ UV/Vis microscopy measurements on methanol conversion over the acidic solid catalysts H-SAPO-34 and H-SSZ-13 revealed the growth of various broad absorption bands around 400, 480, and 580 nm. The cationic nature of the involved species was determined by interaction of ammonia with the methanol-treated samples. To determine which organic species contribute to the various bands, a systematic series of aromatics was analyzed by means of time-dependent density functional theory (TDDFT) calculations. Static gas-phase simulations revealed the influence of structurally different hydrocarbons on the absorption spectra, whereas the influence of the zeolitic framework was examined by using supramolecular models within a quantum mechanics/molecular mechanics framework. To fully understand the origin of the main absorption peaks, a molecular dynamics (MD) study on the organic species trapped in the inorganic host was essential. During such simulation the flexibility is fully taken into account and the effect on the UV/Vis spectra is determined by performing TDDFT calculations on various snapshots of the MD run. This procedure allows an energy absorption scale to be provided and the various absorption bands determined from in situ UV/Vis spectra to be assigned to structurally different species. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Optical characteristics of butyl rubber loaded with general purpose furnace (GPF) carbon black

NASA Astrophysics Data System (ADS)

Alfaramawi, K.

2018-06-01

Optical characteristics of butyl rubber/GPF carbon black (BR/GPFCB) composites with carbon black (CB) concentrations 40, 60, 80 and 100 phr (part per hundred part of rubber) were investigated. The structure of the BR/GPFCB composites was analyzed by x-ray diffraction (XRD). All samples with various CB showed diffraction peaks around 2θ = 14°, 25° and 44° which correspond to interlayer spacing of 6.23 Å, 3.62 Å and 2.10 Å respectively. The peaks were shifted toward larger 2θ angles with increasing CB concentration, indicating a decrease in layer spacing. Ultraviolet and visible (UV–vis) absorbance spectra in the range from 200 nm to 800 nm of the BR/GPFCB composites were studied. In the UV range of the spectra, an absorption edge was recorded. Direct and indirect optical band gaps for the composites were evaluated. The direct band gap values were found-as shown to be slightly greater than that of the indirect ones. The reflectance spectra in the UV optical range were demonstrated. Most of the incident UV light was absorbed inside the composites while a very small fraction was reflected and transmitted. This was attributed to the high UV absorption property of the CB filler. The refractive index of the composite was calculated from the reflectance data. The dependence of the real and imaginary parts of the complex dielectric constant on the incident light energy was characterized. The dielectric loss factor was found to decrease with increasing incident photon energy until approximately 5.5 eV (around the absorption edge) and then it increased rapidly.

Photoinduced transformations of indole and 3-formylindole monomers isolated in low-temperature matrices

NASA Astrophysics Data System (ADS)

Reva, Igor; Lapinski, Leszek; Lopes Jesus, A. J.; Nowak, Maciej J.

2017-11-01

Photochemical transformations were studied for monomers of indole and 3-formylindole isolated in low-temperature noble-gas matrices. Upon UV (λ > 270 nm) irradiation of indole trapped in argon and neon matrices, the initial 1H-form of the compound converted into the 3H-tautomer. Alongside this photoinduced hydrogen-atom transfer, an indolyl radical was also generated by photodetachment of the hydrogen atom from the N1-H bond. Excitation of 3-formylindole isolated in an argon matrix with UV (λ > 335 nm) light led to interconversion between the two conformers of the 1H-tautomer, differing from each other in the orientation of the formyl group (cis or trans). Parallel to this conformational phototransformation, the 3H-form of the compound was generated in the 1H → 3H phototautomeric conversion. The photoproducts emerging upon UV irradiation of indole and 3-formylindole were identified by comparison of their infrared spectra with the spectra calculated for candidate structures.

Spectral investigations and DFT studies of 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (caffeine) interaction and recognition by single amino acid derived self-assembled nanostructures

NASA Astrophysics Data System (ADS)

Govindhan, R.; Karthikeyan, B.

2018-03-01

Recognition of xanthine alkaloid caffeine with 3,5-bis(trifluoromethyl)benzylamine derived peptide nanotubes (BTTPNTs) through chemical interaction have been achieved through the host-guest like interaction. DFT simulation is carried out for caffeine interacted with BTTPNTs system and also experimentally characterized by ultraviolet-visible (UV-vis) absorbance, confocal Raman spectra (CRS) with microscopic imaging (CRM), FT-Raman, surface enhanced Raman scattering (SERS), UV-diffuse reflectance spectra (UV-DRS), high resolution transmission electron microscopy (HR-TEM) and cyclic voltammetry (CV) studies. The results are used to examine the morphologies, size of the nanostructure and study of its interaction with the caffeine molecule. The results show that BTTPNTs is having potential for sensing the caffeine molecules through the binding occurred from the NH2 of tyrosine moiety of the BTTPNTs. This intermolecular association through face-to-face stacking of BTTPNTs is explained by detailed DFT calculations.

Combined corona discharge and UV photoionization source for ion mobility spectrometry.

PubMed

Bahrami, Hamed; Tabrizchi, Mahmoud

2012-08-15

An ion mobility spectrometer is described which is equipped with two non-radioactive ion sources, namely an atmospheric pressure photoionization and a corona discharge ionization source. The two sources cannot only run individually but are additionally capable of operating simultaneously. For photoionization, a UV lamp was mounted parallel to the axis of the ion mobility cell. The corona discharge electrode was mounted perpendicular to the UV radiation. The total ion current from the photoionization source was verified as a function of lamp current, sample flow rate, and drift field. Simultaneous operation of the two ionization sources was investigated by recording ion mobility spectra of selected samples. The design allows one to observe peaks from either the corona discharge or photoionization individually or simultaneously. This makes it possible to accurately compare peaks in the ion mobility spectra from each individual source. Finally, the instrument's capability for discriminating two peaks appearing in approximately identical drift times using each individual ionization source is demonstrated. Copyright © 2012 Elsevier B.V. All rights reserved.

Growth of block copolymer stabilized metal nanoparticles probed simultaneously by in situ XAS and UV-Vis spectroscopy.

PubMed

Nayak, C; Bhattacharyya, D; Jha, S N; Sahoo, N K

2016-01-01

The growth of Au and Pt nanoparticles from their respective chloride precursors using block copolymer-based reducers has been studied by simultaneous in situ measurement of XAS and UV-Vis spectroscopy at the energy-dispersive EXAFS beamline (BL-08) at INDUS-2 SRS at RRCAT, Indore, India. While the XANES spectra of the precursor give real-time information on the reduction process, the EXAFS spectra reveal the structure of the clusters formed at the intermediate stages of growth. The growth kinetics of both types of nanoparticles are found to be almost similar and are found to follow three stages, though the first stage of nucleation takes place earlier in the case of Au than in the case of Pt nanoparticles due to the difference in the reduction potential of the respective precursors. The first two stages of the growth of Au and Pt nanoparticles as obtained by in situ XAS measurements could be corroborated by simultaneous in situ measurement of UV-Vis spectroscopy also.

Ultraviolet Spectroscopy of the Surfaces of the Inner Icy Saturnian Satellites

NASA Astrophysics Data System (ADS)

Hendrix, A. R.; Hansen, C. J.

2008-12-01

The Cassini mission has provided a unique opportunity to make high-resolution, multi-spectral measurements of Saturn's icy moons, to investigate their surface compositions, processes and evolution. Here we present results from the Ultraviolet Imaing Spectrograph (UVIS). This instrument allows for the first measurements of the icy satellites in the extreme ultraviolet (EUV) to far-ultraviolet (FUV) wavelength range. The icy satellites of the Saturn system exhibit a remarkable amount of variability: Dark, battered Phoebe orbiting at a distant 200 RS, black-and-white Iapetus, the wispy streaks of Dione, cratered Rhea and Mimas, bright Tethys and geologically active Enceladus. Phoebe, Iapetus and Hyperion all orbit largely outside Saturn's magnetosphere, while the inner icy satellites Mimas, Enceladus, Dione Tethys and Rhea all orbit within the magnetosphere. Furthermore, the inner icy satellites all orbit within the E-ring - so the extent of exogenic effects on these icy satellites is wide-ranging. We present an overview of UVIS results from Tethys, Dione, Mimas, Enceladus and Rhea, focusing on surface investigations. We expect that the UV signatures of these icy satellites are strongly influenced not only by their water ice composition, but by external effects and magnetospheric environments. We study the FUV reflectance spectra to learn about the surface composition, map out water ice grain size variations, investigate effects of coating by E-ring grains, examine disk-resolved and hemispheric compositional and brightness variations, and investigate the presence of radiation products. This is new work: FUV spectra of surfaces have not been well-studied in the past. Spectra of the inner icy moons have been used to better develop spectral models, to further understand existing lab data of water ice and to help with understanding instrument performance. Analysis is challenged by a lack of laboratory data in this wavelength region, but intriguing results are being found. We find that the FUV albedo is a critical tie- point to understand the composition of these moons -- important absorptions occur in the NUV-visible region. We present disk-integrated hemispherical reflectance spectra, and show that while Tethys and Dione exhibit strong UV leading-trailing differences, Mimas, Enceladus and Rhea do not. In the UV, Mimas is nearly as bright as Enceladus. Tethys is surprisingly dark in the UV. The visible-wavelength leading-trailing hemisphere albedo differences can be attributed to coating by E-ring grains; in the UV, a process appears to darken the trailing hemisphere of Tethys. We also investigate disk-resolved Enceladus spectra to understand spectral differences between the south polar tiger stripe region and elsewhere on the surface.

VizieR Online Data Catalog: New FeI level energies from stellar spectra. II. (Peterson+, 2017)

NASA Astrophysics Data System (ADS)

Peterson, R. C.; Kurucz, R. L.; Ayres, T. R.

2017-06-01

All of the new space-based UV spectra were obtained at a two-pixel resolution of 110000 with the E230H echelle grating of the Space Telescope Imaging Spectrograph (STIS) on HST, under program GO-14161 (R. Peterson, PI). See section 2 for further explanations. (2 data files).

Non-LTE model atmosphere analysis of Nova Cygni 1992

NASA Technical Reports Server (NTRS)

Hauschildt, P. H.; Starrfield, S.; Austin, S.; Wagner, R. M.; Shore, S. N.; Sonneborn, G.

1994-01-01

We use spherically symmetric non-local thermodynamic equilibrium (non-LTE), line-blanketed, expanding model atmospheres to analyze the International Ultraviolet Explorer (IUE) and optical spectra of Nova Cygni 1992 during the early phases of its outburst. We find that the first IUE spectrum obtained just after discovery on 1992 February 20, is best reproduced by a model atmosphere with a steep density gradient and homologous expansion, whereas the IUE and optical spectra obtained on February 24 show an extended, optically thick, wind structure. Therefore, we distinguish two phases of the early evolution of the nova photosphere: the initial, rapid, 'fireball' phase and the subsequent, much longer, optically thick 'wind' phase. The importance of line-blanketing in nova spectra is demonstrated. Our preliminary abundance analysis implies that hydrogen is depeleted in the ejecta, corresponding to abundance enhancements of Fe by a factor of approximately 2 and of CNO by more than a factor of 10 when compared to solar abundances. The synthetic spectra reproduce both the observed pseudo-continua as well as most of the observed features from the UV to the optical spectral range and demonstrate the importance of obtaining nearly simultaneous UV and optical spectra for performing accurate analyses of expanding stellar atmospheres (for both novae and supernovae).

Vibrational spectra, UV and NMR, first order hyperpolarizability and HOMO-LUMO analysis of 2-amino-4-chloro-6-methylpyrimidine.

PubMed

Jayavarthanan, T; Sundaraganesan, N; Karabacak, M; Cinar, M; Kurt, M

2012-11-01

The solid phase FTIR and FT-Raman spectra of 2-amino-4-chloro-6-methylpyrimidine (2A4Cl6MP) have been recorded in the regions 400-4000 and 50-4,000 cm(-1), respectively. The spectra have been interpreted interms of fundamentals modes, combination and overtone bands. The structure of the molecule has been optimized and the structural characteristics have been determined by density functional theory (B3LYP) method with 6-311++G(d,p) as basis set. The vibrational frequencies were calculated and were compared with the experimental frequencies, which yield good agreement between observed and calculated frequencies. The infrared and Raman spectra have also been predicted from the calculated intensities. (1)H and (13)C NMR spectra were recorded and (1)H and (13)C nuclear magnetic resonance chemical shifts of the molecule were calculated using the gauge independent atomic orbital (GIAO) method. UV-Vis spectrum of the compound was recorded in the region 200-400 nm and the electronic properties HOMO and LUMO energies were measured by time-dependent TD-DFT approach. Nonlinear optical and thermodynamic properties were interpreted. All the calculated results were compared with the available experimental data of the title molecule. Copyright © 2012 Elsevier B.V. All rights reserved.

Spectra of late type dwarf stars of known abundance for stellar population models

NASA Technical Reports Server (NTRS)

Oconnell, R. W.

1990-01-01

The project consisted of two parts. The first was to obtain new low-dispersion, long-wavelength, high S/N IUE spectra of F-G-K dwarf stars with previously determined abundances, temperatures, and gravities. To insure high quality, the spectra are either trailed, or multiple exposures are taken within the large aperture. Second, the spectra are assembled into a library which combines the new data with existing IUE Archive data to yield mean spectral energy distributions for each important type of star. My principal responsibility is the construction and maintenance of this UV spectral library. It covers the spectral range 1200-3200A and is maintained in two parts: a version including complete wavelength coverage at the full spectral resolution of the Low Resolution cameras; and a selected bandpass version, consisting of the mean flux in pre-selected 20A bands. These bands are centered on spectral features or continuum regions of special utility - e.g. the C IV lambda 1550 or Mg II lambda 2800 feature. In the middle-UV region, special emphasis is given to those features (including continuum 'breaks') which are most useful in the study of F-G-K star spectra in the integrated light of old stellar populations.

Enhanced photo-activated luminescence for screening polychlorobiphenyls (PCBs) and other related chlorinated compounds

DOEpatents

Vo-Dinh, Tuan

1994-01-01

The presence of polychlorinated biphenyls and other chlorinated compounds in a sample is determined by treating the sample with a photo-activator and then exposing the treated sample to a UV light source. The UV light produces a photo-product complex, which is subsequently excited with UV light to cause luminescence of the complex. The luminescence is detected and characteristics of the luminescence spectra are used to determine the presence of chlorinated compounds and also the quantity of the chlorine in the compounds

Enhanced photo-activated luminescence for screening polychlorobiphenyls (PCBs) and other related chlorinated compounds

DOEpatents

Vo-Dinh, Tuan

1993-01-01

The presence of polychlorinated biphenyls and other chlorinated compounds in a sample is determined by treating the sample with a photo-activator and then exposing the treated sample to a UV light source. The UV light produces a photo-product complex, which is subsequently excited with UV light to cause luminescence of the complex. The luminescence is detected and characteristics of the luminescence spectra are used to determine the presence of chlorinated compounds and also the quantity of the chlorine in the compounds.

Enhanced photo-activated luminescence for screening polychlorobiphenyls (PCBs) and other related chlorinated compounds

DOEpatents

Vo-Dinh, T.

1994-06-07

The presence of polychlorinated biphenyls and other chlorinated compounds in a sample is determined by treating the sample with a photo-activator and then exposing the treated sample to a UV light source. The UV light produces a photo-product complex, which is subsequently excited with UV light to cause luminescence of the complex. The luminescence is detected and characteristics of the luminescence spectra are used to determine the presence of chlorinated compounds and also the quantity of the chlorine in the compounds. 14 figs.

Enhanced photo-activated luminescence for screening polychlorobiphenyls (PCBs) and other related chlorinated compounds

DOEpatents

Tuan Vodinh.

1993-12-21

The presence of polychlorinated biphenyls and other chlorinated compounds in a sample is determined by treating the sample with a photo-activator and then exposing the treated sample to a UV light source. The UV light produces a photo-product complex, which is subsequently excited with UV light to cause luminescence of the complex. The luminescence is detected and characteristics of the luminescence spectra are used to determine the presence of chlorinated compounds and also the quantity of the chlorine in the compounds. 14 figures.

Photoacoustic spectroscopy to evaluate the potentiality of bee-propolis as UV protector: In vivo test in humans

NASA Astrophysics Data System (ADS)

Sehn, E.; Silva, K. C.; Bento, A. C.; Baesso, M. L.; Franco, S. L.

2005-06-01

In this work, the Photoacoustic Spectroscopy was employed to evaluate the potentiality of bee-propolis as UV protector. The experiments were performed to obtain the creams optical absorption spectra in the UV spectral region and also to evaluate in vivo the penetration rate of the obtained product in humans. The results showed the spectral response of the developed bee-propolis creams, and also revealed that two hours after the application about 40 % of the cream signal was still detected on the skin surface.

Spectroscopic and first-principles calculation studies of the chemical forms of palladium ion in nitric acid solution for development of disposal of high-level radioactive nuclear wastes

NASA Astrophysics Data System (ADS)

Watanabe, Shinta; Sato, Toshikazu; Yoshida, Tomoko; Nakaya, Masato; Yoshino, Masahito; Nagasaki, Takanori; Inaba, Yusuke; Takeshita, Kenji; Onoe, Jun

2018-04-01

We have investigated the chemical forms of palladium (Pd) ion in nitric acid solution, using XAFS/UV-vis spectroscopic and first-principles methods in order to develop the disposal of high-level radioactive nuclear liquid wastes (HLLW: radioactive metal ions in 2 M nitric acid solution). The results of theoretical calculations and XAFS/UV-vis spectroscopy indicate that Pd is a divalent ion and forms a square-planar complex structure coordinated with four nitrate ions, [Pd(NO3)4]2-, in nitric acid solution. This complex structure is also thermodynamically predicted to be most stable among complexes [Pd(H2O)x(NO3)4-x]x-2 (x = 0-4). Since the overall feature of UV-vis spectra of the Pd complex was independent of nitric acid concentration in the range 1-6 M, the structure of the Pd complex remains unchanged in this range. Furthermore, we examined the influence of γ-ray radiation on the [Pd(NO3)4]2- complex, using UV-vis spectroscopy, and found that UV-vis spectra seemed not to be changed even after 1.0 MGy irradiation. This implies that the Pd complex structure will be still stable in actual HLLW. These findings obtained above are useful information to develop the vitrification processes for disposal of HLLW.

Dissolved organic carbon biodegradability from thawing permafrost stimulated by sunlight rather than inorganic nitrogen

NASA Astrophysics Data System (ADS)

Liu, F.; Chen, L.; Zhang, B.; Wang, G.; Qin, S.; Yang, Y.

2017-12-01

Permafrost thaw could result in a large portion of frozen carbon being laterally transferred to aquatic ecosystems as dissolved organic carbon (DOC). During this delivery process, the size of biodegradable DOC (BDOC) determines the proportion of DOC mineralized by microorganisms and associated carbon loss to the atmosphere, which may further trigger positive carbon-climate feedback. Thermokarst is an abrupt permafrost thaw process that can enhance DOC export and also impact DOC processing through increased inorganic nitrogen (N) and sunlight exposure. However, it remains unclear how thermokarst-impacted BDOC responds to inorganic N addition and ultraviolet (UV) light irradiation. Here we explored the responses of DOC concentration, composition and its biodegradability to inorganic N and UV light in a typical thermokarst on the Tibetan Plateau, by combining field observation and laboratory incubation with spectra analyses (UV-visible absorption and three-dimensional fluorescence spectra) and parallel factor analyses. Our results showed that BDOC in thermokarst feature outflows was significantly higher than in reference water. Furthermore, inorganic N addition had no influence on thermokarst-impacted BDOC, whereas exposure to UV light significantly increased BDOC by as much as 2.3 times higher than the dark-control. Moreover, N addition and UV irradiation did not generate additive effects on BDOC. These results imply that sunlight rather than inorganic N can increase thermokarst-derived BDOC, potentially strengthening the positive permafrost carbon-climate feedback.

Photophysical properties of hexyl diethylaminohydroxybenzoylbenzoate (Uvinul A Plus), a UV-A absorber.

PubMed

Shamoto, Yuta; Yagi, Mikio; Oguchi-Fujiyama, Nozomi; Miyazawa, Kazuyuki; Kikuchi, Azusa

2017-09-13

Hexyl diethylaminohydroxybenzoylbenzoate (DHHB, Uvinul A Plus) is a photostable UV-A absorber. The photophysical properties of DHHB have been studied by obtaining the transient absorption, total emission, phosphorescence and electron paramagnetic resonance spectra. DHHB exhibits an intense phosphorescence in a hydrogen-bonding solvent (e.g., ethanol) at 77 K, whereas it is weakly phosphorescent in a non-hydrogen-bonding solvent (e.g., 3-methylpentane). The triplet-triplet absorption and EPR spectra for the lowest excited triplet state of DHHB were observed in ethanol, while they were not observed in 3-methylpentane. These results are explained by the proposal that in the benzophenone derivatives possessing an intramolecular hydrogen bond, intramolecular proton transfer is an efficient mechanism of the very fast radiationless decay from the excited singlet state. The energy level of the lowest excited triplet state of DHHB is higher than those of the most widely used UV-B absorbers, octyl methoxycinnamate (OMC) and octocrylene (OCR). DHHB may act as a triplet energy donor for OMC and OCR in the mixtures of UV-A and UV-B absorbers. The bimolecular rate constant for the quenching of singlet oxygen by DHHB was determined by measuring the near-IR phosphorescence of singlet oxygen. The photophysical properties of diethylaminohydroxybenzoylbenzoic acid (DHBA) have been studied for comparison. It is a closely related building block to assist in interpreting the observed data.

Optical absorption and photoluminescence study of nanocrystalline Zn0.92M0.08O (M: Li & Gd)

NASA Astrophysics Data System (ADS)

Punia, Khushboo; Lal, Ganesh; Kumar, Sudhish

2018-05-01

Nanocrystalline samples of Zn0.92Li0.08O and Zn0.92Gd0.08O have been synthesized using citrate sol-gel route without post synthesis annealing and characterized using powder X-ray diffraction (XRD), UV-Vis-NIR and Photoluminescence spectroscopic measurements. Analysis of XRD pattern and PL spectra revealed single phase formation of the nanocrystalline Zn0.92Li0.08O and Zn0.92Gd0.08O in the wurtzite type hexagonal structure with intrinsic crystal and surface defects. UV-Vis-NIR optical absorption measurements show that the maximum photo absorption occurs below 600nm in the UV& visible band. The estimated values of band gap energy were found to be 2.53eV and 2.73eV for Zn0.92Li0.08O and Zn0.92Gd0.08O respectively. The photoluminescence spectra excited at the wavelength 325nm displays two broad peaks in the UV and visible bands centered at ˜416 nm & ˜602 nm for Zn0.92Gd0.08O and ˜406nm & ˜598nm for Zn0.92Li0.08O. Both Gd and Li doping in ZnO leads to considerable decrease in the optical band gap energy and red shifting of the UV emission band towards the visible band.

DFT modeling, UV-Vis and IR spectroscopic study of acetylacetone-modified zirconia sol-gel materials.

PubMed

Georgieva, Ivelina; Danchova, Nina; Gutzov, Stoyan; Trendafilova, Natasha

2012-06-01

Theoretical and spectroscopic studies of a series of monomeric and dimeric complexes formed through the modification of a zirconium butoxide precursor with acetylacetone and subsequent hydrolysis and/or condensation have been performed by applying DFT/B3LYP/6-31++G(d) and highly accurate RI-ADC(2) methods as well as IR and UV-Vis transmittance and diffuse reflectance spectroscopies. Based on DFT model calculations and simulated and experimental UV-Vis and IR spectra of all the studied structures, the most probable building units of the Zr(IV)-AcAc gel were predicted: the dimeric double hydroxo-bridged complex Zr(2)(AcAc)(2)(OH)(4)(OH)(2br) 9 and the monooxo-bridged complex Zr(2)(AcAc)(2)(OH)(4)O(br)·2H(2)O 12. In both structures, the two AcAc ligands are coordinated to one Zr atom. It was shown that building units 9 and 12 determine the photophysical and vibrational properties of the gel material. The observed UV-Vis and IR spectra of Zr(IV)-AcAc gel were interpreted and a relation between the spectroscopic and structural data was derived. The observed UV-Vis bands at 315 nm and 298/288 nm were assigned to partial ligand-metal transitions and to intra-/inter-AcAc ligand transitions, respectively.

Fabrication of refractive index distributions in polymer using a photochemical reaction

NASA Astrophysics Data System (ADS)

Kada, Takeshi; Obara, Atsushi; Watanabe, Toshiyuki; Miyata, Seizo; Liang, Chuan Xin; Machida, Hideaki; Kiso, Koichi

2000-01-01

We demonstrate that a photochemical reaction can create various distributions of refractive index in polymer. When the polymer containing a photochemically active material is irradiated by UV light, the photochemical reaction which breaks the π-conjugated system in the material and decreases its linear polarizability can reduce refractive index of the polymer. We prepared a PMMA film added DMAPN ((4-N,N-dimethylaminophenyl)-N'-phenylnitrone) with a rate of 23 wt % by use of spin coating. Electronic structural change of DMAPN and refractive indices of the film before and after UV irradiation were evaluated by UV absorption spectra and m-line method, respectively. The UV irradiation decreased λmax at 380 nm in the absorption spectra, which is attributed to nitrone, and the refractive indices exponentially with irradiation time. The change of refractive indices reached 0.028. The refractive index profile upon depth of the film was investigated by measuring refractive indices of stacked DMAPN/PMMA films. When UV with a power of 10.7 mW/cm2 irradiated upon three stacked DMAPN/PMMA films for 35 s, variation of the refractive index change showed a quadratic profile. The refractive index profile with various irradiation time can be accounted with the combination of the chemical kinetics with the steady state approximation and Lambert-Beer's law. Thus, the photochemical reaction can be used to control the refractive index distribution in polymer.

Experimental, computational and chemometrics studies of BSA-vitamin B6 interaction by UV-Vis, FT-IR, fluorescence spectroscopy, molecular dynamics simulation and hard-soft modeling methods.

PubMed

Manouchehri, Firouzeh; Izadmanesh, Yahya; Aghaee, Elham; Ghasemi, Jahan B

2016-10-01

The interaction of pyridoxine (Vitamin B6) with bovine serum albumin (BSA) is investigated under pseudo-physiological conditions by UV-Vis, fluorescence and FTIR spectroscopy. The intrinsic fluorescence of BSA was quenched by VB6, which was rationalized in terms of the static quenching mechanism. According to fluorescence quenching calculations, the bimolecular quenching constant (kq), dynamic quenching (KSV) and static quenching (KLB) at 310K were obtained. The efficiency of energy transfer and the distance between the donor (BSA) and the acceptor (VB6) were calculated by Foster's non-radiative energy transfer theory and were equal to 41.1% and 2.11nm. The collected UV-Vis and fluorescence spectra were combined into a row-and column-wise augmented matrix and resolved by multivariate curve resolution-alternating least squares (MCR-ALS). MCR-ALS helped to estimate the stoichiometry of interactions, concentration profiles and pure spectra for three species (BSA, VB6 and VB6-BSA complex) existed in the interaction procedure. Based on the MCR-ALS results, using mass balance equations, a model was developed and binding constant of complex was calculated using non-linear least squares curve fitting. FT-IR spectra showed that the conformation of proteins was altered in presence of VB6. Finally, the combined docking and molecular dynamics (MD) simulations were used to estimate the binding affinity of VB6 to BSA. Five-nanosecond MD simulations were performed on bovine serum albumin (BSA) to study the conformational features of its ligand binding site. From MD results, eleven BSA snapshots were extracted, at every 0.5ns, to explore the binding affinity (GOLD score) of VB6 using a docking procedure. MD simulations indicated that there is a considerable flexibility in the structure of protein that affected ligand recognition. Structural analyses and docking simulations indicated that VB6 binds to site I and GOLD score values depend on the conformations of both BSA and ligand. Molecular modeling results showed that VB6-BSA complex formed not only on the basis of electrostatic forces, but also on the basis of π-π staking and hydrogen bond. There was an excellent agreement between the experimental and computational results. The results presented in this paper, will offer a reference for detailed and systematic studies on the biological effects and action mechanism of small molecules with proteins. Copyright © 2016 Elsevier Inc. All rights reserved.

The UV Survey Mission Concept, CETUS

NASA Astrophysics Data System (ADS)

Heap, Sara; and the CETUS Team

2018-01-01

In March 2017, NASA selected CETUS for study of a Probe-class mission concept. W. Danchi is the CETUS PI, and S. Heap is the Science PI. CETUS is primarily a UV survey telescope to complement survey telescopes of the 2020’s including E-ROSITA, Subaru Hyper Suprime Cam and Prime-Focus Spectrograph, WFIRST, and the Square Kilometer Array. CETUS comprises a 1.5-m wide-field telescope and three science instruments: a wide-field (1045” on a side) far-UV and near-UV camera; a similarly wide-field near-UV multi-object spectrograph utilizing a next-generation micro-shutter array; and a single-object spectrograph with options of spectral region (far-UV or near-UV) and spectral resolving power (2,000 or 40,000). The survey instruments will operate simultaneously thereby producing wide-field images in the near-UV and far-UV and a spectrogram containing near-UV spectra of up to 100 sources free of spectral overlap and astronomical background. ln concert with other survey telescopes, CETUS will focus on understanding galaxy evolution at cosmic noon (z~1-2).

Design of UV-absorbing PVDF membrane via surface-initiated AGET ATRP

NASA Astrophysics Data System (ADS)

Dong, Li; Liu, Xiangdong; Xiong, Zhengrong; Sheng, Dekun; Zhou, Yan; Lin, Changhong; Yang, Yuming

2018-03-01

Herein, PVDF membranes with excellent UV-absorbing property were first synthesized through grafting the polymerizable low-molecular-weight organic UV-absorber 2-hydroxy-4-(3-methacryloxy-2-hydroxylpropoxy) benzophenone (BPMA) onto α-bromoester-functionalized PVDF membranes via the surface-initiated activator generated by electron transfer atom transfer radical polymerization (SI-AGET ATRP). The surface initiators were immobilized by the reaction between 2-bromoisobutyryl bromide (BIBB) and the hydroxylated PVDF membranes. PVDF-g-PBPMA membranes with different grafting densities were obtained by tuning the polymerization time and the modified membranes were characterized by 1H-NMR, FT-IR, XPS, SEM, UV-vis Spectrophotometer, TGA and DSC. The experimental results indicated that PBPMA chains were successfully introduced onto PVDF membranes. Most importantly, the PVDF-g-PBPMA membranes exhibited outstanding UV-shielding property. UV-vis transmittance spectra showed that most UV light below 360 nm could be absorbed by PVDF-g-PBPMA membranes and the whole UV light region (200-400 nm) can be blocked with the reaction time increased.

Formation of the UV Spectrum of Molecular Hydrogen in the Sun

NASA Astrophysics Data System (ADS)

Jaeggli, S. A.; Judge, P. G.; Daw, A. N.

2018-03-01

Ultraviolet (UV) lines of molecular hydrogen have been observed in solar spectra for almost four decades, but the behavior of the molecular spectrum and its implications for solar atmospheric structure are not fully understood. Data from the High-Resolution Telescope Spectrometer (HRTS) instrument revealed that H2 emission forms in particular regions, selectively excited by a bright UV transition region and chromospheric lines. We test the conditions under which H2 emission can originate by studying non-LTE models, sampling a broad range of temperature stratifications and radiation conditions. Stratification plays the dominant role in determining the population densities of H2, which forms in greatest abundance near the continuum photosphere. However, opacity due to the photoionization of Si and other neutrals determines the depth to which UV radiation can penetrate to excite the H2. Thus the majority of H2 emission forms in a narrow region, at about 650 km in standard one-dimensional (1D) models of the quiet Sun, near the τ = 1 opacity surface for the exciting UV radiation, generally coming from above. When irradiated from above using observed intensities of bright UV emission lines, detailed non-LTE calculations show that the spectrum of H2 seen in the quiet-Sun Solar Ultraviolet Measurement of Emitted Radiation atlas spectrum and HRTS light-bridge spectrum can be satisfactorily reproduced in 1D stratified atmospheres, without including three-dimensional or time-dependent thermal structures. A detailed comparison to observations from 1205 to 1550 Å is presented, and the success of this 1D approach to modeling solar UV H2 emission is illustrated by the identification of previously unidentified lines and upper levels in HRTS spectra.

EPR, optical absorption and luminescence studies of Cr3+-doped antimony phosphate glasses

NASA Astrophysics Data System (ADS)

De Vicente, F. S.; Santos, F. A.; Simões, B. S.; Dias, S. T.; Siu Li, M.

2014-12-01

Antimony phosphate glasses (SbPO) doped with 3 and 6 mol% of Cr3+ were studied by Electron Paramagnetic Resonance (EPR), UV-VIS optical absorption and luminescence spectroscopy. The EPR spectra of Cr3+-doped glasses showed two principal resonance signals with effective g values at g = 5.11 and g = 1.97. UV-VIS optical absorption spectra of SbPO:Cr3+ presented four characteristics bands at 457, 641, 675, and 705 nm related to the transitions from 4A2(F) to 4T1(F), 4T2(F), 2T1(G), and 2E(G), respectively, of Cr3+ ions in octahedral symmetry. Optical absorption spectra of SbPO:Cr3+ allowed evaluating the crystalline field Dq, Racah parameters (B and C) and Dq/B. The calculated value of Dq/B = 2.48 indicates that Cr3+ ions in SbPO glasses are in strong ligand field sites. The optical band gap for SbPO and SbPO:Cr3+ were evaluated from the UV optical absorption edges. Luminescence measurements of pure and Cr3+-doped glasses excited with 350 nm revealed weak emission bands from 400 to 600 nm due to the 3P1 → 1S0 electronic transition from Sb3+ ions. Cr3+-doped glasses excited with 415 nm presented Cr3+ characteristic luminescence spectra composed by two broad bands, one band centered at 645 nm (2E → 4A2) and another intense band from 700 to 850 nm (4T2 → 4A2).

Effect of fusion mixture treatment on the surface of low grade natural ruby

NASA Astrophysics Data System (ADS)

Sakthivel, R.; Pradhan, K. C.; Nayak, B. B.; Dash, Tapan; Sahu, R. K.; Mishra, B. K.

2017-05-01

Improvement in aesthetic look of low grade natural ruby (gemstone) surface was clearly evident after fusion mixture treatment. Surface impurities of the gemstone were significantly reduced to give it a face lift. The processing consists of heat treatment (1000 °C) of the raw gemstone with fusion mixture (sodium and potassium carbonates), followed by hydrochloric acid digestion (90 °C) and ultrasonic cleaning.Both the untreated and the treated gemstone were characterized by X-ray diffraction, UV-vis spectroscopy (diffuse reflectance),photoluminescence and X-ray photoelectron spectroscopy. The paper consolidates the results of these studies and presents the effect of the typical chemical treatment (stated above) on the low grade natural ruby. While X-ray diffraction study identifies the occurrence of alumina phase in both the treated and the untreated gemstones, the UV-vis spectra exhibit strong characteristic absorption of Cr3+at 400 and 550 nm wavelength for the treated gemstone in contrast to weak absorption observed for the untreated gemstone at such wavelengths, thus showing the beneficial effect of fusion mixture treatment. Peaks observed for the gemstone (for both treated and untreated samples) in the excitation spectra of photoluminescence show a good correlation with observed UV-vis (diffuse reflectance) spectra. Photoluminescence emission spectra of the untreated gemstone show characteristic emission at 695 nm for Cr3+ ion (as in alumina matrix), but its emission intensity significantly reduces after fusion mixture treatment. It is found that the surface of the fusion mixture treated ruby gemstone looks much brighter than the corresponding untreated surface.

Structural and spectroscopic (UV-Vis, IR, Raman, and NMR) characteristics of anisaldehydes that are flavoring food additives: A density functional study in comparison with experiments

NASA Astrophysics Data System (ADS)

Altun, Ahmet; Swesi, O. A. A.; Alhatab, B. S. S.

2017-01-01

The molecular structures, vibrational spectra (IR and Raman), electronic spectra (UV-Vis and DOS), and NMR spectra (13C and 1H) of p-anisaldehyde, m-anisaldehyde, and o-anisaldehyde have been studied by using the B3LYP density functional and the 6-311++G** basis set. While p-anisaldehyde has been found to contain two stable conformers at room temperature, m-anisaldehyde and o-anisaldehyde contain four stable conformers. In agreement with the calculated ground-state energetics and small transition barriers, the comparison of the experimental and calculated spectra of the anisaldehydes indicates equilibrium between all conformers at room temperature. However, the two conformers of o-anisaldehyde, in which the methoxy group lies out of the ring plane, are too rare at the equilibrium. The equilibrium conditions of the conformers of the anisaldehyde isomers have been shown readily accessible through UV-Vis and 13C NMR spectral studies but requiring very detailed vibrational analyses. The effect of the solvent has been found to red-shift the electronic absorption bands and to make the anisaldehydes more reactive and soft. Molecular electrostatic potential maps of the anisaldehydes show that their oxygen atoms are the sites for nucleophilic reactivity. Compared with the most sophisticated NBO method, ESP charges have been found mostly reliable while Mulliken charges fail badly with the present large 6-311++G** basis set. The present calculations reproduce not only the experimental spectral characteristics of the anisaldehydes but also reveal their several structural features.

The manifestation of optical centers in UV-Vis absorption and luminescence spectra of white blood human cells

NASA Astrophysics Data System (ADS)

Terent'yeva, Yu G.; Yashchuk, V. M.; Zaika, L. A.; Snitserova, O. M.; Losytsky, M. Yu

2016-12-01

A white blood human cells spectral investigation is presented. The aim of this series of experiments was to obtain and analyze the absorption and luminescence (fluorescence and phosphorescence) spectra at room temperature and at 78 K of newly isolated white blood human cells and their organelles. As a result the optical centers and possible biochemical components that form the studied spectra where identified. Also the differences between the spectra of abnormal cells (B-cell chronic lymphocytic leukemia BCLL) and normal ones were studied for the whole cells and individual organelles.

Reference ultraviolet wavelengths of CrIII measured by Fourier transform spectrometry

NASA Astrophysics Data System (ADS)

Smillie, D. G.; Pickering, J. C.; Smith, P. L.

2008-10-01

We report CrIII ultraviolet (UV) transition wavelengths measured using a high-resolution Fourier transform spectrometer (FTS), for the first time, available for use as wavelength standards. The doubly ionized iron group element spectra dominate the observed opacity of hot B stars in the UV, and improved, accurate, wavelengths are required for the analysis of astronomical spectra. The spectrum was excited using a chromium-neon Penning discharge lamp and measured with the Imperial College vacuum ultraviolet FTS. 140 classified 3d34s-3d34p CrIII transition lines, in the spectral range 38000 to 49000 cm-1 (2632 to 2041 Å), the strongest having wavelength uncertainties less than one part in 107, are presented.

Synchrotron VUV-UV and positron lifetime spectroscopy study of vacancy-type defects in reactor neutron-irradiated MgO.nAl2O3 (n = 2)

NASA Astrophysics Data System (ADS)

Rahman, Abu Zayed Mohammad Saliqur; Cao, Xingzhong; Wang, Baoyi; Evslin, Jarah; Xu, Qiu; Atobe, Kozo

2016-12-01

We investigated neutron-irradiation-induced point defects in spinel single crystals using a synchrotron VUV-UV source and positron lifetime spectroscopy. Photoexcitation (PE) spectra near 230 nm and their corresponding photoluminescence (PL) spectra at 475 nm were attributed to F-centers. With increasing irradiation temperature and fluence, PE efficiency and PL intensity decreased dramatically. Positron lifetimes (PLT) of neutron-irradiated and non-irradiated samples were measured to identify the cation vacancies. A PLT measurement of 250 ps was obtained in a neutron-irradiated (20 K) sample which is tentatively attributed to an aluminum monovacancy. Decreasing PLT with higher irradiation indicates the formation of oxygen-vacancy complex centers.

Synthesis Characterization and DNA Interaction Studies of a New Zn(II) Complex Containing Different Dinitrogen Aromatic Ligands

PubMed Central

Shahabadi, Nahid; Mohammadi, Somaye

2012-01-01

A mononuclear complex of Zn(II), [Zn(DIP)2 (DMP)] (NO3)2 ·2H2O in which DIP is 4,7-diphenyl-1,10-phenanthroline and DMP is 4,4′-dimethyl-2,2′-bipyridine has been prepared and characterized by 1HNMR spectroscopy, FT-IR, UV-Vis and elemental analysis techniques. DNA-binding properties of the complex were studied using UV-vis spectra, circular dichroism (CD) spectra, fluorescence, cyclic voltammetry (CV), and viscosity measurements. The results indicate that this zinc(II) complex can intercalate into the stacked base pairs of DNA and compete with the strong intercalator ethidium bromide for the intercalative binding sites. PMID:22956919

Detecting technology of biophotons

NASA Astrophysics Data System (ADS)

Ma, Junfu; Zhu, Zhaohui; Zhu, Yanbin

2002-03-01

A key technique of detecting the ultra-weak photon emission from biological system (UPE) is to change the light signal of an extremely weak level into electric signal of a considerable level when the photo-electric detecting system were be applied. This paper analyzed the difficult for detecting the ultra-weak photon emission from biological system (UPE) mainly is in the absence of high sensitivity detector in UV-visible-infra spectra region. An experimental setup for testing UPE in different spectral region was designed. Using the experimental setup the test data of different several spectral regions from 300 nm to 1060 nm has were tested. The test result show the UPE of living biological system exists in wide spectra region from UV- visible to infrared.

Preparation, electrochemical and spectral properties of free-base and manganese N-methyl-pyridylethynyl porphyrins.

PubMed

Lin, Ching-Yao; Chen, Yen-Chuan; Yao, Chi-Wen; Huang, Sung-Chou; Cheng, Yi-Hui

2008-02-14

Two series of free-base and manganese N-methyl-pyridylethynyl-5,15-biphenyl porphyrins were synthesized, and their UV-Visible, electrochemical and spectro-electrochemical properties were studied. Cyclic voltammetry experiments showed positive shifts in the reduction potentials and the UV-Visible spectra showed significant red-shifts in the absorption wavelengths of these porphyrins, indicating the effects of N-methyl-pyridylethynyl substituents.

UV Timing and Spectroscopy of the Crab Nebula Pulsar

NASA Technical Reports Server (NTRS)

Gull, Theodore R.; Lunqvist, Peter; Sollerman, Jesper; Lindler, Don; Fisher, Richard R. (Technical Monitor)

2001-01-01

We have used the Hubble Space Telescope and Space Telescope Imaging Spectrograph to obtain Near Ultraviolet (NUV) (1600-3200 Angstroms) and Far Ultraviolet (FUV) (1140-1720 Angstroms) spectra and pulse profiles of the Crab Nebula's pulsar. The pulse period agrees well with the radio predictions. The NUV and FUV pulse profiles are little changed from the visible wavelength profile. Spectra obtained with the Nordic Optical Telescope were combined with the UV spectra for full coverage from 1140-9250Angstoms. Dereddening the spectrum with a standard extinction curve achieves a flat spectrum for E(B-V)=0.52, R=3.1. Lyman alpha absorption indicates a column density of 3.0=/-0.5 x 10(exp 21) cm -2, consistent with the E(B-V) of 0.52. The dereddened spectrum can be fitted by a power law with spectral index alpha=0.11+/-0.04. A broad, blueshifted absorption is seen in CIV (1550Angstroms), reaching a velocity of about 2500 kilometer per second.

Hierarchical self-assembly of a bow-shaped molecule bearing self-complementary hydrogen bonding sites into extended supramolecular assemblies.

PubMed

Ikeda, Masato; Nobori, Tadahito; Schmutz, Marc; Lehn, Jean-Marie

2005-01-07

The bow-shaped molecule 1 bearing a self-complementary DAAD-ADDA (D=donor A=acceptor) hydrogen-bonding array generates, in hydrocarbon solvents, highly ordered supramolecular sheet aggregates that subsequently give rise to gels by formation of an entangled network. The process of hierarchical self-assembly of compound 1 was investigated by the concentration and temperature dependence of UV-visible and (1)H NMR spectra, fluorescence spectra, and electron microscopy data. The temperature dependence of the UV-visible spectra indicates a highly cooperative process for the self-assembly of compound 1 in decaline. The electron micrograph of the decaline solution of compound 1 (1.0 mM) revealed supramolecular sheet aggregates forming an entangled network. The selected area electronic diffraction patterns of the supramolecular sheet aggregates were typical for single crystals, indicative of a highly ordered assembly. The results exemplify the generation, by hierarchical self-assembly, of highly organized supramolecular materials presenting novel collective properties at each level of organization.

Synthesis and improved photochromic properties of pyrazolones in the solid state by incorporation of halogen

NASA Astrophysics Data System (ADS)

Guo, Jixi; Yuan, Hui; Jia, Dianzeng; Guo, Mingxi; Li, Yinhua

2017-01-01

Four novel photochromic pyrazolones have been prepared by introducing halogen atoms as substituents on the benzene ring. All as-synthesized compounds exhibited excellent reversible photochromic performances in the solid state. Upon UV light irradiation, the as-synthesized compounds can change their structures from E-form to K-form with yellow coloration. Further processed by heating, they rapidly reverted to their initial states at 120 °С. Their photo-response and thermal bleaching kinetics were detailed investigated by UV absorption spectra. The results showed that the time constants were higher than that of our previously reported compounds at least one order of magnitude and the rate constants of the as-synthesized compounds were significantly influenced by the size and electronegativity of different halogen atoms. The fluorescence emission were modulated in a high degree via photoisomerization of pyrazolones, which might be due to the efficient energy transfer from E-form to K-form isomers for their partly overlaps between their E-form absorption spectra and K-form fluorescence spectra.

Hybrid accretion disks in active galactic nuclei. I - Structure and spectra

NASA Technical Reports Server (NTRS)

Wandel, Amri; Liang, Edison P.

1991-01-01

A unified treatment is presented of the two distinct states of vertically thin AGN accretion disks: a cool (about 10 to the 6th K) optically thick solution, and a hot (about 10 to the 9th K) optically thin solution. A generalized formalism and a new radiative cooling equation valid in both regimes are introduced. A new luminosity limit is found at which the hot and cool alpha solutions merge into a single solution of intermediate optical depth. Analytic solutions for the disk structure are given, and output spectra are computed numerically. This is used to demonstrate the prospect of fitting AGN broadband spectra containing both the UV bump as well as the hard X-ray and gamma-ray tail, using a single accretion disk model. Such models are found to make definite predictions about the observed spectrum, such as the relation between the hard X-ray spectral index, the UV-to-X-ray luminosity ratio, and a feature of about 1 MeV.

Measurement of phenols dearomatization via electrolysis: the UV-Vis solid phase extraction method.

PubMed

Vargas, Ronald; Borrás, Carlos; Mostany, Jorge; Scharifker, Benjamin R

2010-02-01

Dearomatization levels during electrochemical oxidation of p-methoxyphenol (PMP) and p-nitrophenol (PNP) have been determined through UV-Vis spectroscopy using solid phase extraction (UV-Vis/SPE). The results show that the method is satisfactory to determine the ratio between aromatic compounds and aliphatic acids and reaction kinetics parameters during treatment of wastewater, in agreement with results obtained from numerical deconvolution of UV-Vis spectra. Analysis of solutions obtained from electrolysis of substituted phenols on antimony-doped tin oxide (SnO(2)--Sb) showed that an electron acceptor substituting group favored the aromatic ring opening reaction, preventing formation of intermediate quinone during oxidation. (c) 2009 Elsevier Ltd. All rights reserved.

Far-UV HST  Spectroscopy of an Unusual Hydrogen-poor Superluminous Supernova: SN2017egm

NASA Astrophysics Data System (ADS)

Yan, Lin; Perley, D. A.; De Cia, A.; Quimby, R.; Lunnan, R.; Rubin, Kate H. R.; Brown, P. J.

2018-05-01

SN2017egm is the closest (z = 0.03) H-poor superluminous supernova (SLSN-I) detected to date, and a rare example of an SLSN-I in a massive, metal-rich galaxy. We present the HST UV and optical spectra covering 1000–5500 Å, taken at +3 day relative to the peak. Our data reveal two absorption systems at redshifts matching the host galaxy NGC 3191 (z = 0.0307) and its companion galaxy (z = 0.0299) 73″ apart. Weakly damped Lyα absorption lines are detected at these two redshifts, with H I column densities of (3.0 ± 0.8) × 1019 and (3.7 ± 0.9) × 1019 cm‑2, respectively. This is an order of magnitude smaller than the H I column densities in the disks of nearby galaxies (>1010 M ⊙) and suggests that SN2017egm is on the near side of NGC 3191 and has a low host extinction (E(B ‑ V) ∼ 0.007). Using unsaturated metal absorption lines, we find that the host of SN2017egm probably has a solar or higher metallicity and is unlikely to be a dwarf companion to NGC 3191. Comparison of early-time UV spectra of SN2017egm, Gaia16apd, iPTF13ajg, and PTF12dam finds that the continuum at λ > 2800 Å is well fit by a blackbody, whereas the continuum at λ < 2800 Å is considerably below the model. The degree of UV suppression varies from source to source, with the 1400–2800 Å continuum flux ratio of 1.5 for Gaia16apd and 0.4 for iPTF13ajg. This cannot be explained by the differences in magnetar power or blackbody temperature. Finally, the UV spectra reveal a common set of seven broad absorption features and their equivalent widths are similar (within a factor of 2) among the four events.

Vacuum-UV fluorescence spectroscopy of PF3 in the range 9-20 eV

NASA Astrophysics Data System (ADS)

Biehl, H.; Boyle, K. J.; Seccombe, D. P.; Tuckett, R. P.; Baumgärtel, H.; Jochims, H. W.

1998-01-01

The vacuum-UV and visible spectroscopy of PF3 using fluorescence excitation and dispersed emission techniques is reported. The fluorescence excitation spectrum has been recorded following photoexcitation with monochromatized synchrotron radiation from the Daresbury, UK source in the energy range 9-20 eV with an average resolution of ˜0.015 eV. Transitions to the three lowest-energy bands in the Rydberg spectra show resolved vibrational structure, they are assigned to transitions to the (8a1)-1 4p, 5p, and 6p Rydberg states of PF3, and fluorescence is due to valence transitions in the PF2 radical. From a Franck-Condon analysis of the vibrational structure, it is shown that the FPF bond angle in PF3 increases by ˜14±1° upon photoexcitation. The use of optical filters shows that at least three excited electronic states of PF2 are responsible for the induced emission. Dispersed emission spectra in the UV/visible region have been recorded with an optical resolution of 8 nm at the BESSY 1, Germany synchrotron source at the energies of all the peaks in the excitation spectrum. Four different decay channels are observed: (a) PF2 Ã 2A1-X˜2B1 fluorescence in the wide range 320-550 nm for photon energies around 9.8 eV, (b) PF2 ÖX˜, and B˜ 2B2-X˜ 2B1 fluorescence at ˜300 nm for photon energies around 11.0 eV, (c) PF2 C˜ 2A1-X˜ 2B1 and Ẽ 2B1 (2Π)-Ã 2A1 fluorescence at ˜222 and 325 nm, respectively, for photon energies around 14.4 eV, and (d) PF A 3Π-X 3Σ- fluorescence between 300-380 nm for photon energies around 16.1 eV. These assignments are confirmed by action spectra in which the excitation energy of the vacuum-UV radiation is scanned with detection of the fluorescence at a fixed, dispersive wavelength. Using the single-bunch mode of the BESSY 1 source, we have attempted to measure the lifetimes of the emitting states, but the timing profile of the source imposes an upper limit on lifetimes that can be measured of ˜500 ns. We have therefore only been able to measure values for the bent C˜ 2A1 and linear Ẽ 2B1 (2Π) states of PF2 of 14.7 and 7.9 ns, respectively; the lifetimes of the other emitters are too long to measure by this method. Our assignments in PF2 are heavily dependent on recent ab initio calculations on the geometries and energies of the valence electronic states of this species. Our knowledge on the electronic spectroscopy of this free radical is reviewed.

Far Ultraviolet Spectroscopic Explorer Observations of the Seyfert 1.5 Galaxy NGC 5548 in a Low State

NASA Technical Reports Server (NTRS)

Brotherton, M. S.; Green, R. F.; Kriss, G. A.; Oegerle, W.; Kaiser, M. E.; Zheng, W.; Hutchings, J. B.; Fisher, Richard R. (Technical Monitor)

2001-01-01

We present far-ultraviolet spectra of the Seyfert 1.5 galaxy NGC 5548 obtained in 2000 June with the Far Ultraviolet Spectroscopic Explorer (FUSE). Our data span the observed wavelength range 915-1185 A at a resolution of approximately 20 km s(exp -1). The spectrum shows a weak continuum and emission from O VI (lambda)(lambda)1032, 1038, C III (lambda)977, and He II (lambda)1085. The FUSE data were obtained when the AGN (Active Galactic Nuclei) was in a low state, which has revealed strong, narrow O VI emission lines. We also resolve intrinsic, associated absorption lines of O VI and the Lyman series. Several distinct kinematic components are present, spanning a velocity range of approximately 0 to -1300 km s(exp -1) relative to systemic, with kinematic structure similar to that seen in previous observations of longer wavelength ultraviolet (UV) lines. We explore the relationships between the far-UV (ultraviolet) absorbers and those seen previously in the UV and X-rays. We find that the high-velocity UV absorption component is consistent with being low-ionization, contrary to some previous claims, and is consistent with its non-detection in high-resolution X-ray spectra. The intermediate velocity absorbers, at -300 to -400 km s(exp -1), show H I and O VI column densities consistent with having contributions from both a high-ionization X-ray absorber and a low-ionization UV absorber. No single far-UV absorbing component can be solely identified with the X-ray absorber.

Characterisation of PDO olive oil Chianti Classico by non-selective (UV-visible, NIR and MIR spectroscopy) and selective (fatty acid composition) analytical techniques.

PubMed

Casale, M; Oliveri, P; Casolino, C; Sinelli, N; Zunin, P; Armanino, C; Forina, M; Lanteri, S

2012-01-27

An authentication study of the Italian PDO (protected designation of origin) extra virgin olive oil Chianti Classico was performed; UV-visible (UV-vis), Near-Infrared (NIR) and Mid-Infrared (MIR) spectroscopies were applied to a set of samples representative of the whole Chianti Classico production area. The non-selective signals (fingerprints) provided by the three spectroscopic techniques were utilised both individually and jointly, after fusion of the respective profile vectors, in order to build a model for the Chianti Classico PDO olive oil. Moreover, these results were compared with those obtained by the gas chromatographic determination of the fatty acids composition. In order to characterise the olive oils produced in the Chianti Classico PDO area, UNEQ (unequal class models) and SIMCA (soft independent modelling of class analogy) were employed both on the MIR, NIR and UV-vis spectra, individually and jointly, and on the fatty acid composition. Finally, PLS (partial least square) regression was applied on the UV-vis, NIR and MIR spectra, in order to predict the content of oleic and linoleic acids in the extra virgin olive oils. UNEQ, SIMCA and PLS were performed after selection of the relevant predictors, in order to increase the efficiency of both classification and regression models. The non-selective information obtained from UV-vis, NIR and MIR spectroscopy allowed to build reliable models for checking the authenticity of the Italian PDO extra virgin olive oil Chianti Classico. Copyright © 2011 Elsevier B.V. All rights reserved.

[Effect of long-wave ultraviolet light (UV-A) and medium-wave ultraviolet rays (UV-B) on human skin. Critical comparison].

PubMed

Raab, W

1980-04-15

When discussing the effects of ultraviolet radiation on human skin, one should carefully distinguish between the long wave ultraviolet light (UV-A) and the short wave radiations (UV-B and UV-C). Ultraviolet A induces immediate pigmentation but, if high energies are applied, a permanent pigmentation is elicited. This type of ultraviolet A-induced pigmentation has been called "spontaneous" pigmentation as no erythematous reaction is necessary to induce or accelerate melanine formation. Ultraviolet B provokes erythema and consecutive pigmentation. Upon chronic exposure, ultraviolet B causes the wellknown actinic damage of the skin and even provokes carcinoma. With exposures to the sunlight (global radiation), one should be most careful. The public must be informed extensively about the dangers of excessive sunbaths. The use of artificial "suns" with spectra between 260 and 400 nm is limited as it may cause the same type of damage as the global radiation. An exact schedule for use of artificial lamps is strongly recommended. After one cycle of exposures, an interruption is necessary until the next cycle of irradiations may start. Upon continual use for tanning of the skin, artificial lamps may provoke irreversible damage of the skin. Radiation sources with emission spectra of wavelengths between 315 and 400 nm exclusively are well suited for the induction of skin pigmentation (cosmetic use). Potent radiation such as UVASUN systems provoke a "pleasant" permanent pigmentation after exposures for less than one hour. The use of ultraviolet A (UV-A) does not carry any risk for the human skin.

Action Spectra for Nitrate and Nitrite Assimilation in Blue-Green Algae 1

PubMed Central

Serrano, Aurelio; Losada, Manuel

1988-01-01

Action spectra for the assimilation of nitrate and nitrite have been obtained for several blue-green algae (cyanobacteria) with different accessory pigment composition. The action spectra for both nitrate and nitrite utilization by nitrate-grown Anacystis nidulans L-1402-1 cells exhibited a clear peak at about 620 nanometers, corresponding to photosystem II (PSII) C-phycocyanin absorption, the contribution of chlorophyll a (Chl a) being barely detectable. The action spectrum for nitrate reduction by a nitrite reductase mutant of A. nidulans R2 was very similar. All these action spectra resemble the fluorescence excitation spectrum of cell suspensions of the microalgae monitored at 685 nanometers—the fluorescence band of Chl a in PSII. In contrast, the action spectrum for nitrite utilization by nitrogen-starved A. nidulans cells, which are depleted of C-phycocyanin, showed a maximum near 680 nanometers, attributable to Chl a absorption. The action spectrum for nitrite utilization by Calothrix sp. PCC 7601 cells, which contain both C-phycoerythrin and C-phycocyanin as PSII accessory pigments, presented a plateau in the region from 550 to 630 nanometers. In this case, there was also a clear parallelism between the action spectrum and the fluorescence excitation spectrum, which showed two overlapped peaks with maxima at 562 and 633 nanometers. The correlation observed between the action spectra for both nitrate and nitrite assimilation and the light-harvesting pigment content of the blue-green algae studied strongly suggests that phycobiliproteins perform a direct and active role in these photosynthetic processes. PMID:16666041

Vibrational analysis, NBO analysis, NMR, UV-VIS, hyperpolarizability analysis of Trimethadione by density functional theory

NASA Astrophysics Data System (ADS)

Vijayachamundeeswari, S. P.; Yagna Narayana, B.; Jone Pradeepa, S.; Sundaraganesan, N.

2015-11-01

Trimethadione (TMD) is an anticonvulsant drug widely used against absences seizures. We have characterised the TMD by various spectra including UV-VIS, IR, Raman, GC-MS and NMR. In this work, we made use of Density Functional Theory (DFT) B3LYP method with 6-31G (d, p) basis set, to calculate the molecular structure of TMD, and predicted its infrared, Raman and ultraviolet spectra for the first time. FT-IR and FT-Raman spectra were recorded in the region 4000-400 cm-1 and 3500-50 cm-1, respectively. The vibrational frequencies were calculated and scaled values were compared with the experimental FT-IR and FT-Raman spectra. The observed and calculated frequencies are found to be in good agreement. The complete assignments were performed on the basis of the total energy distribution (TED) of the vibrational modes. The optimized geometry parameters were calculated. NMR chemical shifts of the molecule were calculated using the gauge independent atomic orbital (GIAO) method. The predicted first hyperpolarizibility also shows that the molecule might have convincingly good nonlinear optical (NLO) activities. The calculated HOMO-LUMO energy gap discloses that charge transfer occurs within the molecule.

Structural investigation of a self-assembled monolayer material 5-[(3-methylphenyl) (phenyl) amino] isophthalic acid for organic light-emitting devices.

PubMed

Saş, E Babur; Kurt, M; Can, M; Okur, S; İçli, S; Demiç, S

2014-12-10

The molecular structure and vibrations of 5-[(3-methylphenyl) (phenyl) amino] isophthalic acid (MePIFA) were investigated by infrared and Raman spectroscopies, UV-Vis, (1)H and (13)C NMR spectroscopic techniques and NBO analysis. FT-IR, FT-Raman and dispersive Raman spectra were recorded in the solid phase. (1)H and (13)C NMR spectra and UV-Vis spectrum were recorded in DMSO solution. HOMO-LUMO analysis and molecular electrostatic potential (MEP) analysis were performed. The theoretical calculations for the molecular structure and spectroscopies were performed with DFT (B3LYP) and 6-311G(d,p) basis set calculations using the Gaussian 09 program. After the geometry of the molecule was optimized, vibration wavenumbers and fundamental vibration wavenumbers were assigned on the basis of the potential energy distribution (PED) of the vibrational modes calculated with VEDA 4 program. The total (TDOS), partial (PDOS) density of state and overlap population density of state (OPDOS) diagrams analysis were made using GaussSum 2.2 program. The results of theoretical calculations for the spectra of the title compound were compared with the observed spectra. Copyright © 2014 Elsevier B.V. All rights reserved.

Structural investigation of a self-assembled monolayer material 5-[(3-methylphenyl) (phenyl) amino] isophthalic acid for organic light-emitting devices

NASA Astrophysics Data System (ADS)

Saş, E. Babur; Kurt, M.; Can, M.; Okur, S.; İçli, S.; Demiç, S.

2014-12-01

The molecular structure and vibrations of 5-[(3-methylphenyl) (phenyl) amino] isophthalic acid (MePIFA) were investigated by infrared and Raman spectroscopies, UV-Vis, 1H and 13C NMR spectroscopic techniques and NBO analysis. FT-IR, FT-Raman and dispersive Raman spectra were recorded in the solid phase. 1H and 13C NMR spectra and UV-Vis spectrum were recorded in DMSO solution. HOMO-LUMO analysis and molecular electrostatic potential (MEP) analysis were performed. The theoretical calculations for the molecular structure and spectroscopies were performed with DFT (B3LYP) and 6-311G(d,p) basis set calculations using the Gaussian 09 program. After the geometry of the molecule was optimized, vibration wavenumbers and fundamental vibration wavenumbers were assigned on the basis of the potential energy distribution (PED) of the vibrational modes calculated with VEDA 4 program. The total (TDOS), partial (PDOS) density of state and overlap population density of state (OPDOS) diagrams analysis were made using GaussSum 2.2 program. The results of theoretical calculations for the spectra of the title compound were compared with the observed spectra.

Advanced Spectral Library (ASTRAL): Atomic Fluorescence in Cool, Evolved Stars

NASA Astrophysics Data System (ADS)

Carpenter, Ken G.; Nielsen, Krister E.; Kober, Gladys V.; Rau, Gioia

2018-01-01

The "Advanced Spectral Library (ASTRAL) Project: Cool Stars" (PI = T. Ayres) collected a definitive set of representative, high-resolution (R~46,000 in the FUV up to ~1700 Å, R~30,000 for 1700-2150 Å, and R~114,000 >2150 Å) and high signal/noise (S/N>100) UV spectra of eight F-M evolved cool stars. These extremely high-quality STIS UV echelle spectra are available from the HST archive and from the Univ. of Colorado (http://casa.colorado.edu/~ayres/ASTRAL/) and will enable investigations of a broad range of problems -- stellar, interstellar, and beyond -- for many years. In this paper, we extend our study of the very rich emission-line spectra of the four evolved K-M stars in the sample, Beta Gem (K0 IIIb), Gamma Dra (K5 III), Gamma Cru (M3.4 III), and Alpha Ori (M2 Iab), to study the atomic fluorescence processes operating in their outer atmospheres. We summarize the pumping transitions and fluorescent line products known on the basis of previous work (e.g. Carpenter 1988, etc.) and newly identified in our current, on-going analysis of these extraordinary ASTRAL STIS spectra.

Experimental and theoretical spectroscopic studies of anticancer drug rosmarinic acid using HF and density functional theory.

PubMed

Mariappan, G; Sundaraganesan, N; Manoharan, S

2012-11-01

In this work, we reported a combined experimental and theoretical study on molecular structure, vibrational spectra and NBO analysis of anticancer drug of rosmarinic acid. The optimized molecular structure, atomic charges, vibrational frequencies, natural bond orbital analysis and ultraviolet-visible spectral interpretation of rosmarinic acid have been studied by performing HF and DFT/B3LYP/6-31G(d,p) level of theory. The FT-IR (solid and solution phase), FT-Raman (solid phase) spectra were recorded in the region 4000-400 and 3500-50 cm(-1), respectively. The UV-Visible absorption spectra of the compound that dissolved in ethanol were recorded in the range of 200-800 nm. The scaled wavenumbers are compared with the experimental values. The difference between the observed and scaled wavenumber values of most of the fundamentals is very small. The formation of hydrogen bond was investigated in terms of the charge density by the NBO calculations. Based on the UV spectra and TD-DFT calculations, the electronic structure and the assignments of the absorption bands were carried out. Besides, molecular electrostatic potential (MEP), frontier molecular orbitals (FMO) analysis were investigated using theoretical calculations. Copyright © 2012 Elsevier B.V. All rights reserved.

Performance of the FOS and GHRS Pt/(Cr)-Ne Hollow-cathode Lamps after their Return from Space and Comparison with Archival Data

NASA Technical Reports Server (NTRS)

Kerber, Florian; Lindler, Don; Bristow, Paul; Lembke, Dominik; Nave, Gillian; Reader, Joseph; Sansonetti, Craig J.; Heap, Sara R.; Rosa, Michael R.; Wood, H. John

2006-01-01

The Space Telescope European Coordinating Facility (ST-ECF) and National Institute of Standards and Technology (NIST) are collaborating to study hollow cathode calibration lamps as used onboard the Hubble Space Telescope (HST). As part of the STIS Calibration Enhancement (STIS-CE) Project we are trying to improve our understanding of the performance of hollow cathode lamps and the physical processes involved in their long term operation. The original flight lamps from the Faint Object Spectrograph (FOS) and the Goddard High Resolution Spectrograph (GHRS) are the only lamps that have ever been returned to Earth after extended operation in space. We have taken spectra of all four lamps using NIST s 10.7-m normal-incidence spectrograph and Fourier transform spectrometer (FTS) optimized for use in the ultraviolet (UV). These spectra, together with spectra archived from six years of on-orbit operations and pre-launch spectra, provide a unique data set - covering a period of about 20 years - for studying aging effects in these lamps. Our findings represent important lessons for the choice and design of calibration sources and their operation in future UV and optical spectrographs in space.

Inclusion complexes of β-cyclodextrin-dinitrocompounds as UV absorber for ballpoint pen ink.

PubMed

Srinivasan, Krishnan; Radhakrishnan, S; Stalin, Thambusamy

2014-08-14

2,4-Dinitrophenol (2,4-DNP), 2,4-dinitroaniline (2,4-DNA), 2,6-dinitroaniline (2,6-DNA) and 2,6-dinitrobenzoic acid (2,6-DNB) has appeared for the UV absorption bands in different wavelength region below 400 nm, a combination of these dinitro aromatic compounds gave the broad absorption spectra within the UV region. The absorption intensities have been increased by preparation of the inclusion complex of dinitro compounds with β-cyclodextrin (β-CD). Prepared inclusion complexes are used to improve the UV protection properties of the ball point pen ink against photo degradation. The formation of solid inclusion complexes was characterized by FT-IR, and (1)H NMR spectroscopy. The UV protecting properties of these inclusion complexes were calculated their sun protection factor (SPF) is also discussed. The stability of the ballpoint pen ink has been confirmed by UV-Visible spectroscopic method. Copyright © 2014 Elsevier B.V. All rights reserved.

Altered UV absorbance and cytotoxicity of chlorinated sunscreen agents.

PubMed

Sherwood, Vaughn F; Kennedy, Steven; Zhang, Hualin; Purser, Gordon H; Sheaff, Robert J

2012-12-01

Sunscreens are widely utilized due to the adverse effects of ultraviolet (UV) radiation on human health. The safety of their active ingredients as well as that of any modified versions generated during use is thus of concern. Chlorine is used as a chemical disinfectant in swimming pools. Its reactivity suggests sunscreen components might be chlorinated, altering their absorptive and/or cytotoxic properties. To test this hypothesis, the UV-filters oxybenzone, dioxybenzone, and sulisobenzone were reacted with chlorinating agents and their UV spectra analyzed. In all cases, a decrease in UV absorbance was observed. Given that chlorinated compounds can be cytotoxic, the effect of modified UV-filters on cell viability was examined. Chlorinated oxybenzone and dioxybenzone caused significantly more cell death than unchlorinated controls. In contrast, chlorination of sulisobenzone actually reduced cytotoxicity of the parent compound. Exposing a commercially available sunscreen product to chlorine also resulted in decreased UV absorbance, loss of UV protection, and enhanced cytotoxicity. These observations show chlorination of sunscreen active ingredients can dramatically decrease UV absorption and generate derivatives with altered biological properties.

Spectral analysis of lunar analogue samples

NASA Astrophysics Data System (ADS)

Offringa, Marloes; Foing, Bernard

2016-04-01

Analyses of samples derived from terrestrial analogue sites are used to study lunar processes in their geological context (Foing, Stoker, Ehrenfreund, 2011). For this study samples from the volcanic region of the Eifel, Germany collected during field campaigns (Foing et al., 2010), are analyzed with a variety of spectrometers. The aim is to obtain a database of analyzed samples that could be used as a reference for future in situ measurements. Equipment used in the laboratory consists of a Fourier Transform Infrared (FTIR) spectrometer, an X-Ray Fluorescence (XRF) spectrometer, a Raman laser spectrometer, as well as UV-VIS and NIR reflectance spectrometers. The Raman, UV-VIS and NIR are also used in combination with the EXoGeoLab mock-up lander during field campaigns (Foing, Stoker, Ehrenfreund, 2011). Calibration of the UV-VIS and NIR reflectance spectrometers is the main focus of this research in order to obtain the clearest spectra. The calibration of the UV-VIS and NIR reflectance spectrometers requires the use of a good light source as well as suitable optical fibers to create a signal that covers the widest range in wavelengths available. To eliminate noise towards the edges of this range, multiple measurements are averaged and data is processed by dividing the signal by reference spectra. Calibration of the devices by creating a new dark and reference spectra has to take place after every sample measurement. In this way we take into account changes that occur in the signal due to the eating of the devices during the measurements. Moreover, the integration time is adjusted to obtain a clear signal without leading to oversaturation in the reflectance spectrum. The typical integration times for the UV-VIS reflectance spectrometer vary between 1 - 18 s, depending on the amount of daylight during experiments. For the NIR reflectance spectrometer the integration time resulting in the best signals is approximately 150 ms in combination with a broad spectrum light source. Together with taking an average over ±600 measurements per sample this leads to the best spectral signals that can be acquired with this set-up. Obtained spectra can be tested for accuracy by comparing them with stationary laboratory spectrometers such as the FTIR spectrometer. Future campaigns involving the employment of the spectrometers on the ExoGeoLab lander would prove the applicability of the equipment in the field.

CO-SPATIAL LONG-SLIT UV/OPTIC AL SPECTRA OF 10 GALACTIC PLANETARY NEBULAE WITH HST/STIS. I. DESCRIPTION OF THE OBSERVATIONS, GLOBAL EMISSION-LINE MEASUREMENTS, AND CNO ABUNDANCES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dufour, Reginald J.; Kwitter, Karen B.; Shaw, Richard A.

We present observations and initial analysis from a Hubble Space Telescope (HST) Cycle 19 program using STIS to obtain the first co-spatial, UV–optical spectra of 10 Galactic planetary nebulae (PNs). Our primary objective was to measure the critical emission lines of carbon and nitrogen with unprecedented signal-to-noise ratio (S/N) and spatial resolution over the wavelength range 1150–10270 Å, with the ultimate goal of quantifying the production of these elements in low- and intermediate-mass stars. Our sample was selected from PNs with a near-solar metallicity, but spanning a broad range in N/O based on published ground-based and IUE spectra. This study,more » the first of a series, concentrates on the observations and emission-line measurements obtained by integrating along the entire spatial extent of the slit. We derived ionic and total elemental abundances for the seven PNs with the strongest UV line detections (IC 2165, IC 3568, NGC 2440, NGC 3242, NGC 5315, NGC 5882, and NGC 7662). We compare these new results with other recent studies of the nebulae and discuss the relative merits of deriving the total elemental abundances of C, N, and O using ionization correction factors (ICFs) versus summed abundances. For the seven PNs with the best UV line detections, we conclude that summed abundances from direct diagnostics of ions with measurable UV lines give the most accurate values for the total elemental abundances of C and N (although ICF abundances often produced good results for C). In some cases where significant discrepancies exist between our abundances and those from other studies, we show that the differences can often be attributed to their use of fluxes that are not co-spatial. Finally, we examined C/O and N/O versus O/H and He/H in well-observed Galactic, LMC, and SMC PNs and found that highly accurate abundances are essential for properly inferring elemental yields from their progenitor stars. Future papers will discuss photoionization modeling of our observations, of both the integrated spectra and spatial variations of the UV versus optical lines along the STIS slit lengths, which are unique to our observations.« less

Nature and morphology of fumed oxides and features of interfacial phenomena

NASA Astrophysics Data System (ADS)

Gun'ko, V. M.; Zarko, V. I.; Goncharuk, O. V.; Matkovsky, A. K.; Remez, O. S.; Skubiszewska-Zięba, J.; Wojcik, G.; Walusiak, B.; Blitz, J. P.

2016-03-01

Individual and complex fumed nanooxides were studied using high-resolution transmission electron microscopy, X-ray diffraction, ultraviolet-visible (UV-vis) spectroscopy, differential scanning calorimetry, nuclear magnetic resonance spectroscopy, adsorption, desorption (evaporation), and quantum chemical methods. For mixed nanooxides in contrast to simple and small nanoparticles of individual silica or titania, complex core-shell nanoparticles (50-200 nm in size) with titania or alumina cores and silica or alumina shells can be destroyed under high-pressure cryogelation (HPCG), mechnochemical activation (MCA) that also affect the structure of aggregates of nanoparticles and agglomerates of aggregates becoming more compacted. This is accompanied by changes in color from white to beige of different tints and changes in the UV-vis spectra in the 300-600 nm range, as well as changes in crystalline structure of alumina. Any treatment of 'soft' nanooxides affects the interfacial behavior of polar and nonpolar adsorbates. For some of them, the hysteresis loops become strongly open. Rearrangement of secondary particles affects the freezing-melting point depression. Clusterization of adsorbates bound in pores causes diminution of heat effects during phase transition (freezing, fusion). Freezing point depression and increasing melting point cause significant hysteresis freezing-melting effects for adsorbates bound to oxide nanoparticles. The study shows that complex nanooxides can be more sensitive to external actions than simple nanooxides such as silica.

Analysis of Biomolecules by Atmospheric Pressure Visible-Wavelength MALDI-Ion Trap-MS in Transmission Geometry

NASA Astrophysics Data System (ADS)

West, Raymond E.; Findsen, Eric W.; Isailovic, Dragan

2013-10-01

We report the development of a new AP visible-wavelength MALDI-ion trap-MS instrument with significantly improved performance over our previously reported system ( Int. J. Mass Spectrom. 315, 66-73 (2012)). A Nd:YAG pulsed laser emitting light at 532 nm was used to desorb and ionize oligosaccharides and peptides in transmission geometry through a glass slide. Limits of detection (LODs) achieved in MS mode correspond to picomole quantities of oligosaccharides and femtomole quantities of peptides. Tandem MS (MS/MS) experiments enabled identification of enzymatically digested proteins and oligosaccharides by comparison of MS/MS spectra with data found in protein and glycan databases. Moreover, the softness of ionization, LODs, and fragmentation spectra of biomolecules by AP visible-wavelength MALDI-MS were compared to those obtained by AP UV MALDI-MS using a Nd:YAG laser emitting light at 355 nm. AP visible-wavelength MALDI appears to be a softer ionization technique then AP UV MALDI for the analysis of sulfated peptides, while visible-wavelength MALDI-MS, MS/MS, and MS/MS/MS spectra of other biomolecules analyzed were mostly similar to those obtained by AP UV MALDI-MS. Therefore, the methodology presented will be useful for MS and MSn analyses of biomolecules at atmospheric pressure. Additionally, the AP visible-wavelength MALDI developed can be readily used for soft ionization of analytes on various mass spectrometers.

DFT studies for three Cu(II) coordination polymers: Geometrical and electronic structures, g factors and UV-visible spectra

NASA Astrophysics Data System (ADS)

Ding, Chang-Chun; Wu, Shao-Yi; Xu, Yong-Qiang; Wu, Li-Na; Zhang, Li-Juan

2018-05-01

This work presents a systematic density functional theory (DFT) study for geometrical and electronic structures, g factors and UV-vis spectra of three Cu(II) coordination polymers (CPs) [Cu(XL)(NO3)2]n (1), {[Cu(XL)(4,4‧-bpy)(NO3)2]•CH3CN}n (2) and {[Cu(XL)3](NO3)2·3.5H2O}n (3) based on the ligand N,N‧-bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxdiimide bi(1,2,4-triazole) (XL) with the linker triazole coordinated with copper to construct the CPs. For three CPs with distinct ligands, the optimized molecular structures with PBE0 hybrid functional and the 6-311g basis set agree well with the corresponding XRD data. Meanwhile, the electronic properties are also analyzed for all the systems. The calculated g factors are found sensitive to the (Hartree-Fock) HF character due to the significant hybridization between copper and ligand orbitals. The calculated UV-visible spectra reveal that the main electronic transitions for CP 1 contain d-d and CT transitions, while those for CPs 2 and 3 largely belong to CT ones. The present CPs seem difficult to adsorb small molecules, e.g., CP 1 with H2O and NO2 exhibit unfavorable adsorption and deformation structures near the Cu2+ site.

The SOA formation model combined with semiempirical quantum chemistry for predicting UV-Vis absorption of secondary organic aerosols.

PubMed

Zhong, Min; Jang, Myoseon; Oliferenko, Alexander; Pillai, Girinath G; Katritzky, Alan R

2012-07-07

A new model for predicting the UV-visible absorption spectra of secondary organic aerosols (SOA) has been developed. The model consists of two primary parts: a SOA formation model and a semiempirical quantum chemistry method. The mass of SOA is predicted using the PHRCSOA (Partitioning Heterogeneous Reaction Consortium Secondary Organic Aerosol) model developed by Cao and Jang [Environ. Sci. Technol., 2010, 44, 727]. The chemical composition is estimated using a combination of the kinetic model (MCM) and the PHRCSOA model. The absorption spectrum is obtained by taking the sum of the spectrum of each SOA product calculated using a semiempirical NDDO (Neglect of Diatomic Differential Overlap)-based method. SOA was generated from the photochemical reaction of toluene or α-pinene at different NO(x) levels (low NO(x): 24-26 ppm, middle NO(x): 49 ppb, high NO(x): 104-105 ppb) using a 2 m(3) indoor Teflon film chamber. The model simulation reasonably agrees with the measured absorption spectra of α-pinene SOA but underestimates toluene SOA under high and middle NO(x) conditions. The absorption spectrum of toluene SOA is moderately enhanced with increasing NO(x) concentrations, while that of α-pinene SOA is not affected. Both measured and calculated UV-visible spectra show that the light absorption of toluene SOA is much stronger than that of α-pinene SOA.

One trinucleus dimethine cyanine dye: Experimental and theoretical studies on molecular structure as well as absorption and fluorescence properties

NASA Astrophysics Data System (ADS)

Zhang, D. D.; Wang, L. Y.; Su, J. J.; Zhang, X. F.; Lei, Y. B.; Zhai, G. H.; Wen, Z. Y.

2013-05-01

A kind of trinucleus dimethine cyanine dye: 1-methyl-2,6-bis[2-(furan-2-yl)vinyl]pyridinium iodide (1) was synthesized and characterized by 1H NMR, 13C NMR, IR, MS, UV-Vis spectroscopy and elemental analysis. The crystals of dye 1, obtained from slow evaporation of solvent acetone, crystallized in the triclinic space group P - 1 with a = 9.6501(16) Å, b = 10.2308(17) Å, c = 10.7341(17) Å, V = 887.2(3) Å3, and Z = 2 (at 298(2) K), and it was stabilized by the hydrogen bonds and intermolecular face-to-face π⋯π aromatic stacking interactions. Crystallographic, IR, 1H NMR and UV-Vis data of dye 1 were compared with the results of density functional theory (DFT) method, and the calculated molecular geometries, vibrational bands, 1H NMR chemical shifts and UV-Vis maximum absorption were consistent with the experimental results. The fluorescence spectra were predicted in four different solvents with CIS/PCM methods. Compared with experimental values, the absolute deviations of emission maxima were -17.4 nm in chloroform, 6.3 nm in DMSO, 4.9 nm in methanol, and 6.8 nm in water, respectively. And the experimental fluorescence spectra were nicely reproduced by the simulated fluorescence spectra for each solvent.

An Ultraviolet Excess in the Superluminous Supernova Gaia16apd Reveals a Powerful Central Engine

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nicholl, M.; Berger, E.; Blanchard, P. K.

Since the discovery of superluminous supernovae (SLSNe) in the last decade, it has been known that these events exhibit bluer spectral energy distributions than other supernova subtypes, with significant output in the ultraviolet. However, the event Gaia16apd seems to outshine even the other SLSNe at rest-frame wavelengths below ∼3000 Å. Yan et al. have recently presented HST UV spectra and attributed the UV flux to low iron-group abundance in the outer ejecta, and hence reduced line blanketing. Here, we present UV and optical light curves over a longer baseline in time, revealing a rapid decline at UV wavelengths despite amore » typical optical evolution. Combining the published UV spectra with our own optical data, we demonstrate that Gaia16apd has a much hotter continuum than virtually any SLSN at maximum light, but it cools rapidly thereafter and is indistinguishable from the others by ∼10–15 days after peak. Comparing the equivalent widths of UV absorption lines with those of other events, we show that the excess UV continuum is a result of a more powerful central power source, rather than a lack of UV absorption relative to other SLSNe or an additional component from interaction with the surrounding medium. These findings strongly support the central-engine hypothesis for hydrogen-poor SLSNe. An explosion ejecting M {sub ej} = 4.8(0.2/ κ ) M {sub ⊙}, where κ is the opacity in cm{sup 2} g{sup −1}, and forming a magnetar with spin period P = 2 ms, and B = 2 × 10{sup 14} G (lower than other SLSNe with comparable rise times) can consistently explain the light curve evolution and high temperature at peak. The host metallicity, Z = 0.18 Z {sub ⊙}, is comparable to other SLSNe.« less

Studies on cytostatics used as photosensitizing material in photodynamic therapy

NASA Astrophysics Data System (ADS)

Pascu, Mihail-Lucian; Danaila, Leon; Carstocea, Benone D.; Staicu, Angela; Truica, Sorina; Gazdaru, Doina M.

2002-10-01

Introduction of the photosensitizer properties of cytostatics drus was made, pointing out that the fact that besides the biochemical action of the cytostatics their effects could be enhanced by the exposure to light at different doses. A spectroscopical characterisation of methotrexate and fluorouracil, cytostatic drugs used frequently in cancer therpy was performed. The absorption, emission and excitation spectra were measured for methotrexate solutions in natural saline and sodium hydroxide at concentration in the range 10-5 -10-6M and pH 8.4. The absorption, emission and excitation spectra were measured for fluorouracil solutions in natural saline at concentration in the range 10-4 -10-5M. The absorption spectrum exhibits spectral bands in the range 250nm -450nm for both drugs. The fluorescence excitatioan for methotrexate was made at 340nm and 370nm, the fluorescence emission was detected in the spectral range 400nm - 500nm with a maximum at 470nm. The fluorescence excitation was measured in teh range 200nm-500nm with the emission centred on 530nm, for Xe lamp irradiation, and 300nm for Hg lamp and laser irradiation. The fluorescence emission spectra was monitored in the spectral range 400nm - 600nm. The effects of irradiation on spectroscopic characteristics of methrotrexate and fluorouracil were investigated. The irraditaion was made using a UV classic lamp with Xe, for the first experimental part and for the second one it was used both a class Hg lamp and a nytorgen pulsed laser.

The WiggleZ Dark Energy Survey: final data release and the metallicity of UV-luminous galaxies

NASA Astrophysics Data System (ADS)

Drinkwater, Michael J.; Byrne, Zachary J.; Blake, Chris; Glazebrook, Karl; Brough, Sarah; Colless, Matthew; Couch, Warrick; Croton, Darren J.; Croom, Scott M.; Davis, Tamara M.; Forster, Karl; Gilbank, David; Hinton, Samuel R.; Jelliffe, Ben; Jurek, Russell J.; Li, I.-hui; Martin, D. Christopher; Pimbblet, Kevin; Poole, Gregory B.; Pracy, Michael; Sharp, Rob; Smillie, Jon; Spolaor, Max; Wisnioski, Emily; Woods, David; Wyder, Ted K.; Yee, Howard K. C.

2018-03-01

The WiggleZ Dark Energy Survey measured the redshifts of over 200 000 ultraviolet (UV)-selected (NUV < 22.8 mag) galaxies on the Anglo-Australian Telescope. The survey detected the baryon acoustic oscillation signal in the large-scale distribution of galaxies over the redshift range 0.2 < z < 1.0, confirming the acceleration of the expansion of the Universe and measuring the rate of structure growth within it. Here, we present the final data release of the survey: a catalogue of 225 415 galaxies and individual files of the galaxy spectra. We analyse the emission-line properties of these UV-luminous Lyman-break galaxies by stacking the spectra in bins of luminosity, redshift, and stellar mass. The most luminous (-25 mag

Characterization by combined optical and FT infrared spectra of 3d-transition metal ions doped-bismuth silicate glasses and effects of gamma irradiation.

PubMed

ElBatal, F H; Abdelghany, A M; ElBatal, H A

2014-03-25

Optical and infrared absorption spectral measurements were carried out for binary bismuth silicate glass and other derived prepared samples with the same composition and containing additional 0.2% of one of 3d transition metal oxides. The same combined spectroscopic properties were also measured after subjecting the prepared glasses to a gamma dose of 8 Mrad. The experimental optical spectra reveal strong UV-near visible absorption bands from the base and extended to all TMs-doped samples and these specific extended and strong UV-near visible absorption bands are related to the contributions of absorption from both trace iron (Fe(3+)) ions present as contaminated impurities within the raw materials and from absorption of main constituent trivalent bismuth (Bi(3+)) ions. The strong UV-near visible absorption bands are observed to suppress any further UV bands from TM ions. The studied glasses show obvious resistant to gamma irradiation and only small changes are observed upon gamma irradiation. This observed shielding behavior is related to the presence of high Bi(3+) ions with heavy mass causing the observed stability of the optical absorption. Infrared absorption spectra of the studied glasses reveal characteristic vibrational bands due to both modes from silicate network and the sharing of Bi-O linkages and the presence of TMs in the doping level (0.2%) causes no distinct changes within the number or position of the vibrational modes. The presence of high Bi2O3 content (70 mol%) appears to cause stability of the structural building units towards gamma irradiation as revealed by FTIR measurements. Copyright © 2013 Elsevier B.V. All rights reserved.

Fe(Ⅲ) ions enhanced catalytic properties of (BiO)2CO3 nanowires and mechanism study for complete degradation of xanthate.

PubMed

Guo, Yujiao; Cui, Kuixin; Hu, Mingyi; Jin, Shengming

2017-08-01

The wire-like Fe 3+ -doped (BiO) 2 CO 3 photocatalyst was synthesized by a hydrothermal method. The photocatalytic property of Fe 3+ -doped (BiO) 2 CO 3 nanowires was evaluated through degradation of sodium isopropyl xanthate under UV-visible light irradiation. The as-prepared Fe 3+ -doped (BiO) 2 CO 3 nanowires were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), UV-visible diffuse reflectance spectroscopy (UV-vis DRS), X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FTIR) in detail. The results of XRD showed that the crystallinity of (BiO) 2 CO 3 nanowires decreased when Fe 3+ ions were introduced into the solution system. XPS results illustrated that xanthate could be absorbed on the surface of Fe 3+ -doped (BiO) 2 CO 3 nanowires to produce BiS bond at the beginning of the reaction, which could broaden the visible light absorption. FTIR spectra confirmed the formation of SO 4 2- after photocatalytic decomposition of xanthate solution. The Fe 3+ -doped (BiO) 2 CO 3 nanowires showed an enhanced photocatalytic activity for decomposition of xanthate due to the narrower band gap and larger BET surface area, comparing with pure (BiO) 2 CO 3 nanowires. By the results of UV-vis spectra of the solution and FTIR spectra of recycled Fe 3+ -doped (BiO) 2 CO 3 , the xanthate was oxidized completely into CO 2 and SO 4 2- . The photocatalytic degradation process of xanthate followed a pseudo-second-order kinetics model. The mechanism of enhanced photocatalytic activity was proposed as well. Copyright © 2017 Elsevier Ltd. All rights reserved.

Solvent effect in implicit/explicit model on FT-IR, 1H, 13C and 19F NMR, UV-vis and fluorescence spectra, linear, second- and third-nonlinear optical parameters of 2-(trifluoromethyl)benzoic acid: Experimental and computational study

NASA Astrophysics Data System (ADS)

Avcı, Davut; Altürk, Sümeyye; Tamer, Ömer; Kuşbazoğlu, Mustafa; Atalay, Yusuf

2017-09-01

FT-IR, 1H, 13C and 19F NMR, UV-vis and fluorescence spectra for 2-(trifluoromethyl)benzoic acid (2-TFMBA) were recorded. DFT//B3LYP/6-31++G(d,p) calculations were used to determine the optimized molecular geometry, vibrational frequencies, 1H, 13C and 19F GIAO-NMR chemical shifts of 2-TFMBA. The detailed assignments of vibrational frequencies were carried out on the basis of potential energy distribution (PED) by using VEDA program. TD-DFT/B3LYP/6-31++G(d,p) calculations with the PCM (polarizable continuum model) in ethanol and DMSO solvents based on implicit/explicit model and gas phase in the excited state were employed to investigate UV-vis absorption and fluorescence emission wavelengths. The UV-vis and emission spectra were given in ethanol and DMSO solvents, and the major contributions to the electronic transitions were obtained. In addition, the NLO parameters (β, γ and χ(3)) and frontier molecular orbital energies of 2-TFMBA were calculated by using B3LYP/6-31++G(d,p) level. The NLO parameters of 2-TFMBA were compared with that of para-Nitroaniline (pNA) and urea which are the typical NLO materials. The refractive index (n) is calculated by using the Lorentz-Lorenz equation to observe polarization behavior of 2-TFMBA in DMSO and ethanol solvents. In order to investigate intramolecular and hydrogen bonding interactions, NBO calculations were also performed by the same level. To sum up, considering the well-known biological role, photochemical properties of 2-TFMBA were discussed.

[Experimental research of turbidity influence on water quality monitoring of COD in UV-visible spectroscopy].

PubMed

Tang, Bin; Wei, Biao; Wu, De-Cao; Mi, De-Ling; Zhao, Jing-Xiao; Feng, Peng; Jiang, Shang-Hai; Mao, Ben-Jiang

2014-11-01

Eliminating turbidity is a direct effect spectroscopy detection of COD key technical problems. This stems from the UV-visible spectroscopy detected key quality parameters depend on an accurate and effective analysis of water quality parameters analytical model, and turbidity is an important parameter that affects the modeling. In this paper, we selected formazine turbidity solution and standard solution of potassium hydrogen phthalate to study the turbidity affect of UV--visible absorption spectroscopy detection of COD, at the characteristics wavelength of 245, 300, 360 and 560 nm wavelength point several characteristics with the turbidity change in absorbance method of least squares curve fitting, thus analyzes the variation of absorbance with turbidity. The results show, In the ultraviolet range of 240 to 380 nm, as the turbidity caused by particle produces compounds to the organics, it is relatively complicated to test the turbidity affections on the water Ultraviolet spectra; in the visible region of 380 to 780 nm, the turbidity of the spectrum weakens with wavelength increases. Based on this, this paper we study the multiplicative scatter correction method affected by the turbidity of the water sample spectra calibration test, this method can correct water samples spectral affected by turbidity. After treatment, by comparing the spectra before, the results showed that the turbidity caused by wavelength baseline shift points have been effectively corrected, and features in the ultraviolet region has not diminished. Then we make multiplicative scatter correction for the three selected UV liquid-visible absorption spectroscopy, experimental results shows that on the premise of saving the characteristic of the Ultraviolet-Visible absorption spectrum of water samples, which not only improve the quality of COD spectroscopy detection SNR, but also for providing an efficient data conditioning regimen for establishing an accurate of the chemical measurement methods.

A Raman and UV-Vis study of catecholamines oxidized with Mn(III)

NASA Astrophysics Data System (ADS)

Barreto, W. J.; Ponzoni, S.; Sassi, P.

1998-12-01

A UV-Vis and Raman spectroscopy study of three aminochromes generated through Mn 3+ oxidation of the dopamine, L-dopa and adrenaline molecules at physiological pH was performed. The UV-Vis spectra of the catecholamines oxidized using Mn 3+ in buffer solution at pH 7.2 show a band at ca. 300 nm, formed by two transitions at 280 nm and 300 nm assigned to an La and Lb transition respectively, and other at ca. 470 nm assigned to an n- π* transition localized in the carbonyl group. This assignment is suggested by the UV-Vis and Raman spectra of ortho-aminoquinone generated by MnO 2 oxidation of a dopamine aqueous acidic solution. The resonance Raman spectra of the three chromes at buffer pH 7.2 show a very similar feature and the most intense bands are observed in the spectral range 1100-1800 cm -1. The band around 1680 cm -1 for the three compounds is assigned to a ν(CO) stretching vibration, 1630 cm -1 to the ν(CC) ring mode, two bands at 1423, 1439 cm -1; 1427, 1438 cm -1 and 1456, 1475 cm -1 are assigned to a ν(CN +) vibration, for aminochrome, dopachrome and adrenochrome, respectively. The excitation profiles for the most intense bands for aminochrome and adrenochrome were obtained. The band assigned to the ν(CN +) present a red shift with respect to the visible band peak, however the band in adrenochrome at 1475 cm -1 shows a profile similar to ν(CO) and ν(CC) modes that reflects the methyl group effect on mixing this mode more effectively with the ν(CC) ring mode.

Characterizing Pale Blue Dots Around FGKM Stars

NASA Astrophysics Data System (ADS)

Rugheimer, S.; Kaltenegger, L.; Sasselov, D. D.; Segura, A.

2015-12-01

Exoplanet characterization of small rocky worlds will be a main focus in the coming decades. For future telescopes like JWST and UVOIR/HDST, an exoplanet's host star will influence our ability to detect and interpret spectral features, including biosignatures. We present a complete suit of stellar models and a grid of model atmospheres for Earth-like planets at equivalent stages of geological evolution in their HZ for stellar effective temperature from Teff = 2300K to 7000K, sampling the entire FGKM stellar type range. Since M dwarfs are simultaneously the most numerous in the universe, the most active, and the most likely stars to host terrestrial exoplanets, we focus in particular on the range of UV emission possible in each sub M spectral class. The UV emission from a planet's host star dominates the photochemistry and thus the resultant observable spectral features of the planet. Using the latest UV spectra obtained by HST and IUE we model the effect of stellar activity on Earth-like planets. We also model the amount of UV flux reaching the surface for Earth-like planets at various geological epochs ranging from a pre-biotic world through the rise of oxygen and for Earth-like planets orbiting FGKM stars at equivalent stages of evolution. When modeling the remotely detectable spectra of these planets we focus on the primary detectable atmospheric features that indicate habitability on Earth, namely: H2O, CO2, O3, CH4, N2O and CH3Cl. We model the emergent as well as transit spectra of Earth-like planets orbiting our grid of FGKM stars in the VIS/NIR (0.4 - 4 μm) and the IR (5 - 20 μm) range as input for future missions like JWST and concepts like UVOIR/HDST.

Raman spectroscopic analysis of the responds of desert cyanobacterium Nostoc sp under UV-B radiation

NASA Astrophysics Data System (ADS)

Wang, Gaohong; Hao, Zongjie; Hu, Chunxiang; Liu, Yongding

Cyanobacteria are renowned for tolerating extremes of desiccation, UV radiation, freezethaw cycles, hypersalinity and oligotrophy, which make them as candidate par excellence for terraforming in extraterrestrial planet. Recently Raman spectrum was applied to study the biochemical information changes in different field of life science. In this study, we investigated the respond of desert cyanobactreium Nostoc sp under UV-B radiation via FT-Raman spectra. It was found that the spectral biomarkers of protectant molecular of UV radiation such as β-carotene and scytonemin were induced by UV-B radiation, but Chlorophyll a content was decreased, and also the photosynthesis activity was inhibited significantly. After light adaptation without UV-B radiation, the Chlorophyll a content and photosynthesis activity returned to high level, butβ-carotene and scytonemin content remained in the cells. Those results indicated that desert Cyanobacteria have good adaptation ability for UV-B radiation and synthesis of protectant molecular may be an effective strategy for its adaptation in evolution.

An action spectrum for UV-B radiation and the rat lens.

PubMed

Merriam, J C; Löfgren, S; Michael, R; Söderberg, P; Dillon, J; Zheng, L; Ayala, M

2000-08-01

To determine an action spectrum for UV-B radiation and the rat lens and to show the effect of the atmosphere and the cornea on the action spectrum. One eye of young female rats was exposed to 5-nm bandwidths of UV-B radiation (290, 295, 300, 305, 310, and 315 nm). Light scattering of exposed and nonexposed lenses was measured 1 week after irradiation. A quadratic polynomial was fit to the dose-response curve for each wave band. The dose at each wave band that produced a level of light scattering greater than 95% of the nonexposed lenses was defined as the maximum acceptable dose (MAD). Transmittance of the rat cornea was measured with a fiberoptic spectrophotometer. The times to be exposed to the MAD in Stockholm (59.3 degrees N) and La Palma (28 degrees N) were compared. Significant light scattering was detected after UV-B at 295, 300, 305, 310, and 315 nm. The lens was most sensitive to UV-B at 300 nm. Correcting for corneal transmittance showed that the rat lens is at least as sensitive to UV radiation at 295 nm as at 300 nm. The times to be exposed to the MAD at each wave band were greater in Stockholm than in La Palma, and in both locations the theoretical time to be exposed to the MAD was least at 305 nm. After correcting for corneal transmittance, the biological sensitivity of the rat lens to UV-B is at least as great at 295 nm as at 300 nm. After correcting for transmittance by the atmosphere, UV-B at 305 nm is the most likely wave band to injure the rat lens in both Stockholm and La Palma.

TOWARD A NETWORK OF FAINT DA WHITE DWARFS AS HIGH-PRECISION SPECTROPHOTOMETRIC STANDARDS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Narayan, G.; Matheson, T.; Saha, A.

We present the initial results from a program aimed at establishing a network of hot DA white dwarfs to serve as spectrophotometric standards for present and future wide-field surveys. These stars span the equatorial zone and are faint enough to be conveniently observed throughout the year with large-aperture telescopes. The spectra of these white dwarfs are analyzed in order to generate a non-local-thermodynamic-equilibrium model atmosphere normalized to Hubble Space Telescope colors, including adjustments for wavelength-dependent interstellar extinction. Once established, this standard star network will serve ground-based observatories in both hemispheres as well as space-based instrumentation from the UV to themore » near IR. We demonstrate the effectiveness of this concept and show how two different approaches to the problem using somewhat different assumptions produce equivalent results. We discuss the lessons learned and the resulting corrective actions applied to our program.« less

Moessbauer Characterization of Magnetite/Polyaniline Magnetic Nanocomposite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rodriguez, Anselmo F. R.; Faria, Fernando S. E. D. V.; Lopez, Jorge L.

2010-12-02

Aniline surface coated Fe{sub 3}O{sub 4} nanoparticles have been successfully synthesized by UV irradiation varying the time and the acid media (HCl, HNO{sub 3}, or H{sub 2}SO{sub 4}). The synthesized material represents a promising platform for application in nerve regeneration. XRD patterns are consistent with the crystalline structure of magnetite. Nevertheless, for UV irradiation times longer than 2 h, extra XRD lines reveal the presence of goethite. The mean crystallite size of uncoated particles is estimated to be 25.4 nm, meanwhile that size is reduced to 19.9 nm for the UV irradiated sample in HCl medium for 4 h. Moessbauermore » spectra of uncoated nanoparticles reveal the occurrence of thermal relaxation at room temperature, while the 77 K-Moessbauer spectrum suggests the occurrence of electron localization effects similar to that expected in bulk magnetite. The Mossbauer spectra of UV irradiated sample in HCl medium during 4 h, confirms the presence of the goethite phase. For this sample, the thermal relaxation is more evident, since the room temperature spectrum shows larger spectral area for the nonmagnetic component due to the smaller crystallite size. Meanwhile, the 77 K-Moessbauer spectrum suggests the absence of the electron localization effect above 77 K.« less

Fragmentation mechanism of UV-excited peptides in the gas phase

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zabuga, Aleksandra V., E-mail: aleksandra.zabuga@epfl.ch; Kamrath, Michael Z.; Boyarkin, Oleg V.

We present evidence that following near-UV excitation, protonated tyrosine- or phenylalanine–containing peptides undergo intersystem crossing to produce a triplet species. This pathway competes with direct dissociation from the excited electronic state and with dissociation from the electronic ground state subsequent to internal conversion. We employ UV-IR double-resonance photofragment spectroscopy to record conformer-specific vibrational spectra of cold peptides pre-excited to their S{sub 1} electronic state. The absorption of tunable IR light by these electronically excited peptides leads to a drastic increase in fragmentation, selectively enhancing the loss of neutral phenylalanine or tyrosine side-chain, which are not the lowest dissociation channels inmore » the ground electronic state. The recorded IR spectra evolve upon increasing the time delay between the UV and IR pulses, reflecting the dynamics of the intersystem crossing on a timescale of ∼80 ns and <10 ns for phenylalanine- and tyrosine-containing peptides, respectively. Once in the triplet state, phenylalanine-containing peptides may live for more than 100 ms, unless they absorb IR photons and undergo dissociation by the loss of an aromatic side-chain. We discuss the mechanism of this fragmentation channel and its possible implications for photofragment spectroscopy and peptide photostability.« less

Star Formation in Hi Tails: HCG 92, HCG 100 and 6 Interacting Systems

NASA Technical Reports Server (NTRS)

deMello, D. F.; Urrutia-Viscarra, F.; MendesdeOliveira, C.; Torres-Flores, S.; Carrasco, E. R.; Cypriano, E.

2012-01-01

We present new Gemini spectra of 14 new objects found within the HI tails of Hickson Compact Groups 92 and 100. Nine of them are GALEX Far-UV (FUV) and Near-UV (NUV) sources. The spectra confirm that these objects are members of the compact groups and have metallicities close to solar, with an average value of 12+log(O/H)approx.8.5. They have average FUV luminosities 7 x 10(exp 40) erg/s, very young ages (< 100 Myr) and two of them resemble tidal dwarf galaxies (TDGs) candidates. We suggest that they were created within gas clouds that were ejected during galaxy-galaxy interactions into the intergalactic medium, which would explain the high metallicities of the objects, inherited from the parent galaxies from which the gas originated. We conduct a search for similar objects in 6 interacting systems with extended HI tails, NGC 2623, NGC 3079, NGC 3359, NGC 3627, NGC 3718, NGC 4656. We found 35 UV sources with ages < 100 Myr, however most of them are on average less luminous/massive than the UV sources found around HCG 92 and 100. We speculate that this might be an environmental effect and that compact groups of galaxies are more favorable to TDG formation than other interacting systems.

Molecular dynamics simulation and TDDFT study of the structures and UV-vis absorption spectra of MCT-β-CD and its inclusion complexes.

PubMed

Lu, Huijuan; Wang, Yujiao; Xie, Xiaomei; Chen, Feifei; Li, Wei

2015-01-01

In this research, the inclusion ratios and inclusion constants of MCT-β-CD/PERM and MCT-β-CD/CYPERM inclusion complexes were measured by UV-vis and fluorescence spectroscopy. The inclusion ratios are both 1:1, and the inclusion constants are 60 and 342.5 for MCT-β-CD/PERM and MCT-β-CD/CYPERM, respectively. The stabilities of inclusion complexes were investigated by MD simulation. MD shows that VDW energy plays a vital role in the stability of inclusion complex, and the destruction of inclusion complex is due to the increasing temperature. The UV-vis absorption spectra of MCT-β-CD and its inclusion complexes were studied by time-dependent density functional theory (TDDFT) method employing BLYP-D3, B3LYP-D3 and M06-2X-D3 functionals. BLYP-D3 well reproduces the UV-vis absorption spectrum and reveals that the absorption bands of MCT-β-CD mainly arise from n→π(∗) and n→σ(∗) transition, and those of inclusion complexes mainly arise from intramolecular charge transfer (ICT). ICT results in the shift of main absorption bands of MCT-β-CD. Copyright © 2015 Elsevier B.V. All rights reserved.

UV-vis spectroscopic studies of CaF2 photo-thermo-refractive glass

NASA Astrophysics Data System (ADS)

Stoica, Martina; Herrmann, Andreas; Hein, Joachim; Rüssel, Christian

2016-12-01

A photo-thermo-refractive glass based on the system Na2O/K2O/CaO/CaF2/Al2O3/ZnO/SiO2 doped with Ag2O, CeO2, SnO2, Sb2O3 and KBr was investigated. This glass undergoes a permanent refractive index change after UV irradiation and subsequent two step heat treatment at temperatures above Tg. This is due to the formation of Ag metal clusters which act as nucleation centers for CaF2 crystallization. Oxidation of Ce3+ by UV light is the initial reaction and acts as photosensitizer in the glass. The UV-vis absorption spectra during this photo-induced crystallization process were measured. The spectral components that form the absorption spectra of cerium were studied in detail by a band separation with Gaussian functions. Deconvolution of the cerium absorption bands shows an envelope of five spectral components for the trivalent cerium due to the 4f-5d transitions and two spectral components for the tetravalent cerium caused by charge transfer transitions. The effect of different dopants and melting conditions on the photo-thermal process were studied to investigate the influence of glass technology on the photoprocess.

a UV Spectral Library of Metal-Poor Massive Stars

NASA Astrophysics Data System (ADS)

Robert, Carmelle

1994-01-01

We propose to use the FOS to build a snapshot library of UV spectra of a sample of about 50 metal-poor massive stars located in the Magellanic Clouds. The majority of libraries already existing contains spectra of hot stars with chemical abundances close to solar. The high spectral resolution achieves with the FOS will be a major factor for the uniqueness of this new library. UV spectral libraries represent fundamental tools for the study of the massive star populations of young star-forming regions. Massive stars, which are impossible to identify directly in the optical-IR part of a composite spectrum, display on the other hand key signatures in the UV region. These signatures are mainly broad, metallicity dependent spectral features formed in the hot star winds. They require a high spectral resolution (of the order of 200-300 km/s) for an adequate study. A spectral library of metal-poor massive stars represents also a unique source of data for a stellar atmosphere analysis. Within less then 10 min we will obtain a high signal-to-noise ratio of at least 30. Finally, since short exposure times are possible, this proposal makes extremely good use of the capabilities of HST. We designed an observing strategy which yields a maximum scientific return at a minimum cost of spacecraft time.

Enhancement of the Ultraviolet Photoresponsivity of Al-doped ZnO Thin Films Prepared by using the Sol-gel Spin-coating Method

NASA Astrophysics Data System (ADS)

Lee, Wookbin; Leem, Jae-Young

2018-03-01

We report the structural, morphological, optical, and ultraviolet (UV) photoresponse properties of Al-doped ZnO (AZO) thin films prepared on silicon substrates with different Al doping concentrations by using the sol-gel spin-coating method. An analysis of the X-ray diffraction patterns of the AZO thin films revealed that the average grain size decreased and the c-axis lattice constant increased with Al content. The field-emission scanning electron microscopy images showed that with Al doping, the grain size decreased, but the film density increased with increasing Al doping concentration from 0% to 3%. These results indicate that the surface area of the film increased with increasing Al doping. The absorbance spectra revealed that the UV absorbance of the AZO thin films increased with increasing Al doping concentration and that the absorption onset shifted towards lower energies. The photoluminescence spectra revealed that with increasing Al doping, the intensity of the visible emission greatly decreased and the visible emission peak shifted forward lower energy (a red shift). The UV sensor based on the AZO thin films exhibited a higher responsivity than that based on the undoped ZnO thin film. Therefore, this study provides a facile method for improving the photoresponsivity of UV sensors.

The Use of UV-Visible Reflectance Spectroscopy as an Objective Tool to Evaluate Pearl Quality

PubMed Central

Agatonovic-Kustrin, Snezana; Morton, David W.

2012-01-01

Assessing the quality of pearls involves the use of various tools and methods, which are mainly visual and often quite subjective. Pearls are normally classified by origin and are then graded by luster, nacre thickness, surface quality, size, color and shape. The aim of this study was to investigate the capacity of Artificial Neural Networks (ANNs) to classify and estimate the quality of 27 different pearls from their UV-Visible spectra. Due to the opaque nature of pearls, spectroscopy measurements were performed using the Diffuse Reflectance UV-Visible spectroscopy technique. The spectra were acquired at two different locations on each pearl sample in order to assess surface homogeneity. The spectral data (inputs) were smoothed to reduce the noise, fed into ANNs and correlated to the pearl’s quality/grading criteria (outputs). The developed ANNs were successful in predicting pearl type, mollusk growing species, possible luster and color enhancing, donor condition/type, recipient/host color, donor color, pearl luster, pearl color, origin. The results of this study shows that the developed UV-Vis spectroscopy-ANN method could be used as a more objective method of assessing pearl quality (grading) and may become a valuable tool for the pearl grading industry. PMID:22851919

Silver Nanoparticles Formed in a Colloidal System and a Polymer Matrix

NASA Astrophysics Data System (ADS)

Potapov, A. L.; Agabekov, V. E.; Belyi, V. N.

2018-05-01

The growth kinetics and particle-size distribution of Ag particles in a polyvinyl alcohol (PVA) composite, PVA film, and aqueous sol were studied using UV and visible spectroscopy, atomic force microscopy, and dynamic light scattering. A hypsochromic shift (55 nm) of the Ag nanoparticle (NP) surface plasmon absorption maximum was measured on going from the PVA composite to the film. The kinetics of Ag NP formation and their sizes were shown to depend considerably on UV irradiation, ultrasound action, and PVA concentration. It was established that UV irradiation accelerated Ag NP formation in the presence of reductants and destroyed the resulting NPs with a deficit of reductant. Partial destruction of the Ag NPs occurred under the influence of ultrasound whereas ultrasound action after UV irradiation reduced Ag+ on the clusters.

Emission characteristics of Xe-RbBr plasma

NASA Astrophysics Data System (ADS)

Heneral, A. A.; Avtaeva, S. V.

2017-12-01

The luminescence spectra of the longitudinal pulsed-periodic discharge in Xe-RbBr gas-vapour mixtures at low pressures are experimentally studied. Conditions for obtaining strong UV radiation of XeBr* exiplex molecules in the spectral range of 200-425 nm are found. The greatest output of the XeBr* UV radiation is provided at temperature of the gas-discharge tube walls of ~1000 K. The maximum UV emission power of the whole plasma volume is 4.8 W. Formation of XeBr* exciplex molecules in the pulsed-periodic discharge in Xe-RbBr gas-vapour mixtures at low pressures is discussed.

Combined infrared and ultraviolet-visible spectroscopy matrix-isolated carbon vapor

NASA Technical Reports Server (NTRS)

Kurtz, Joe; Huffman, Donald R.

1990-01-01

Infrared and UV-visible absorption spectra have been measured on the same sample of matrix-isolated carbon vapor in order to establish correlations between absorption intensities of vibrational and electronic transitions as a function of sample annealing. A high degree of correlation has been found between the IR feature at 1998/cm recently assigned to C8 and a UV absorption feature at about 3100 A. Thus, for the first time, direct evidence is given for the assignment of one of the unknown UV-visible features of the long-studied matrix-isolated carbon vapor spectrum.

Discrimination Between Maturity and Composition from Integrated Clementine UltraViolet-Visible and Near-Infrared Data

NASA Astrophysics Data System (ADS)

Le Mouelic, S.; Langevin, Y.; Erard, S.; Pinet, P.; Daydou, Y.; Chevrel, S.

1999-01-01

The Clementine UV-VIS dataset has greatly improved our understanding of the Moon. The UV-VIS camera was limited to five spectral channels from 415 to 1000 nm. The Clementine near-infrared (NIR) camera was designed to complement this spectral coverage. The NIR filter at 2000 run allows the discrimination between olivine and pyroxene within identified mare basalts. In addition, we will show that the integration of Clementine UV-VIS and NIR datasets allows a better evaluation of the ferrous 1-micron absorption band depth and gives access to the slope of the continuum. The discrimination between maturity and FeO composition can be achieved by a principal component analysis performed on spectral parameters. We selected 952 Clementine UV-VIS and NIR images to compute a multispectral cube covering the Aristarchus Plateau. Aristarchus Plateau is one of the most heterogeneous areas on the Moon. Highland-type materials, mare basalts, and dark mantle deposits have previously been mentioned. The mosaic represents a set of about 500 x 600 nine-channel spectra. UV-VIS filters at 415, 750, 900, 950, and 1000 run were calibrated using the ISIS software. We applied the reduction method described elsewhere to reduce the NIR filters at 1100, 1250, 1500 and 2000 nm. Absolute gain and offset values were refined for the NIR images by using eight telescopic spectra acquired as references. With this calibration test, we were able to reproduce the eight telescopic spectra with a maximum error of 1.8%. The integration of UV-VIS and NIR spectral channels allows the visualization of complete low-resolution spectra. In order to investigate the spectral effects of the space-weathering processes, we focused our analysis on a small mare crater and its immediate surroundings. According to the small size of the crater (about 2-km) and its location on an homogeneous mare area, we can reasonably assume that the content in FeO is homogeneous. The impact event has induced a variation of the maturity of the soil by excavating fresh material. Graphs displays five absolute reflectance spectra extracted from this area. One graph displays the same spectra divided by a continuum, which is considered to be a right line fitting the spectra at 0.75 and 1.5 micron. Spectrum 1 is extracted from the brightest part of the crater interior, and spectrum 5 is extracted from the surrounding mare material. Spectra 2, 3, and 4 are extracted from intermediate distances between the two areas. The 1-and-2 micron absorption band depths and the overall reflectance increase from spectrum 5 (corresponding to a mature area) to spectrum 1 (the most immature area). Conversely, the continuum slope decreases from spectrum 5 to spectrum 1. These three spectral effects of maturity have also been identified on laboratory spectra of lunar samples. Most of the lunar soils exhibit a signature near 1 micron. This absorption band is due to the presence of Fe2+ in mafic minerals such as orthopyroxene, clinopyroxene, and olivine. In the case of Clementine UV-VIS data alone, the depth of the 1-micron feature is evaluated by the 950/750-nm reflectance ratio. This ratio combined to the reflectance at 750nm has been used to evaluate the global content in FeO of the lunar surface. Near-infrared data makes a more precise evaluation of the 1 micron band depth possible by providing the right side of the band. The continuum in the vicinity of the band can be evaluated by an arithmetic mean or a geometric interpolation of both sides of the band, which are taken at 750 and 1500nm. The geometric interpolation is less sensitive to residual calibration uncertainties. With this method, the 1-micron absorption band depth for the Aristarchus; Plateau can be refined by as much as 10%. The difference is maximum on Fe-poor, highland-type materials. Similarly, the NIR data provide the possibility to investigate the continuum slope of the spectra. The continuum slope is a key parameter in any spectral analysis. The continuum slope variations seem to be mainly dominated by maturity effects, as suggested by the high correlation with the independent evaluation of maturity (OMAT parameter). We have also found a good correlation between the continuum slope and the OMAT parameter on laboratory spectra of lunar samples of the J. B. Adams collection. The discrimination between maturity effects and composition effects can be achieved by using a principal component analysis (PCA) on three spectral parameters, which are the reflectance at 0.75 micron the depth of the 1-micron feature, and the continuum slope. These parameters are mostly affected by maturity and FeO content. The effects of various glass content are assimilated to maturity. The aim of the PCA is to decorrelate the FeO content and maturity effects in the three input parameters. The integration of UV-VIS and NIR datasets allows for a better understanding of the spectral properties of the lunar surface by giving access to key parameters such as the 1 and 2-micron band depths and the continuum slope. The continuum slope can be combined with the depth of the mafic 1-micron absorption feature and the reflectance at 750 nm to discriminate between maturity and composition. NIR images of the sample return stations will be very interesting to refine absolute FeO content and maturity evaluations. Additional information is available in original.

UV Remote Sensing Data Products - Turning Data Into Knowledge

NASA Astrophysics Data System (ADS)

Weiss, M.; Paxton, L.; Schaefer, R. K.; Comberiate, J.; Hsieh, S. W.; Romeo, G.; Wolven, B. C.; Zhang, Y.

2013-12-01

The DMSP/SSUSI instruments have been taking UV images of the upper atmosphere for more than a decade. Each of the SSUSI instruments takes complete global UV images on a daily basis. Although this scientific data is very valuable, it is not actionable information. Perhaps the simplest use of SSUSI data is the assimilation of radiances into the GAIM ionospheric forecast model; even then, the data must be massaged to get it into a GAIM-ingestable form. We describe a development effort funded by the DMSP program and the Air Force Weather Agency to turn the raw data into actionable information in the form of SSUSI environmental data parameters and other derived information. We will describe current nowcasts, forecasts, and other related actionable information (e.g. auroral oval forecasts) that is currently generated by the SSUSI ground processing system for AFWA, and also concepts we have for future tools (e.g., geomagnetic storm alerts, scintillation forecasts, HF radio propagation information, auroral radar clutter) to turn more of the SSUSI dataset into actionable knowledge.

Investigation on interaction between Ligupurpuroside A and pepsin by spectroscopic and docking methods.

PubMed

Shen, Liangliang; Xu, Hong; Huang, Fengwen; Li, Yi; Xiao, Huafeng; Yang, Zhen; Hu, Zhangli; He, Zhendan; Zeng, Zheling; Li, Yinong

2015-01-25

Ligupurpuroside A is one of the major glycoside in Ku-Din-Cha, a type of Chinese functional tea. In order to better understand its digestion and metabolism in humans, the interaction between Ligupurpuroside A and pepsin has been investigated by fluorescence spectra, UV-vis absorption spectra and synchronous fluorescence spectra along with molecular docking method. The fluorescence experiments indicate that Ligupurpuroside A can effectively quench the intrinsic fluorescence of pepsin through a combined quenching way at the low concentration of Ligupurpuroside A, and a static quenching procedure at the high concentration. The binding constant, binding sites of Ligupurpuroside A with pepsin have been calculated. The thermodynamic analysis suggests that non-covalent reactions, including electrostatic force, hydrophobic interaction and hydrogen bond are the main forces stabilizing the complex. According to the Förster's non-radiation energy transfer theory, the binding distance between pepsin and Ligupurpuroside A was calculated to be 3.15 nm, which implies that energy transfer occurs between pepsin and Ligupurpuroside A. Conformation change of pepsin was observed from UV-vis absorption spectra and synchronous fluorescence spectra under experimental conditions. In addition, all these experimental results have been validated by the protein-ligand docking studies which show that Ligupurpuroside A is located in the cleft between the domains of pepsin. Copyright © 2014 Elsevier B.V. All rights reserved.

Emission spectra of photoionized plasmas induced by intense EUV pulses: Experimental and theoretical investigations

NASA Astrophysics Data System (ADS)

Saber, Ismail; Bartnik, Andrzej; Skrzeczanowski, Wojciech; Wachulak, Przemysław; Jarocki, Roman; Fiedorowicz, Henryk

2017-03-01

Experimental measurements and numerical modeling of emission spectra in photoionized plasma in the ultraviolet and visible light (UV/Vis) range for noble gases have been investigated. The photoionized plasmas were created using laser-produced plasma (LPP) extreme ultraviolet (EUV) source. The source was based on a gas puff target; irradiated with 10ns/10J/10Hz Nd:YAG laser. The EUV radiation pulses were collected and focused using grazing incidence multifoil EUV collector. The laser pulses were focused on a gas stream, injected into a vacuum chamber synchronously with the EUV pulses. Irradiation of gases resulted in a formation of low temperature photoionized plasmas emitting radiation in the UV/Vis spectral range. Atomic photoionized plasmas produced this way consisted of atomic and ionic with various ionization states. The most dominated observed spectral lines originated from radiative transitions in singly charged ions. To assist in a theoretical interpretation of the measured spectra, an atomic code based on Cowan's programs and a collisional-radiative PrismSPECT code have been used to calculate the theoretical spectra. A comparison of the calculated spectral lines with experimentally obtained results is presented. Electron temperature in plasma is estimated using the Boltzmann plot method, by an assumption that a local thermodynamic equilibrium (LTE) condition in the plasma is validated in the first few ionization states. A brief discussion for the measured and computed spectra is given.

Studies on activated cytostatic fluorouracil as photosensitizer: to use in eye tumor treatment

NASA Astrophysics Data System (ADS)

Pascu, Mihail-Lucian; Carstocea, Benone D.; Brezeanu, Mihail; Voicu, Letitia; Staicu, Angela; Gazdaru, Doina M.; Pascu, Ruxandra A.

2004-09-01

Hydroxypyrimidine 5-fluorouracil (5-FU) belongs to the cytostatics group known as antimetabolites. The effect of UV irradiation on 5-FU was investigated by absorption and fluorescence spectroscopy. The study of the photosensitizer properties of 5-FU was made since their effects could be enhanced by exposure to UV radiation at different doses. Solutions 2.5x10-4M in natural saline water (0.8% NaCl), irradiated with optical beams emitted by N2 laser and UV Hg classic lamp, were used. The 5-FU was chosen due to its strong absorption along a large spectral range which makes possible the fluorescence excitation in UV. The absorption spectra exhibit bands between 250 - 450 nm. The emission fluorescence was measured in the 400-550 nm spectral range, with λex=320 and 350 nm for samples irradiated with Hg lamp and with λex=360 nm for samples irradiated with N2 laser. The excitation fluorescence was measured in the spectral range 200-400 nm, with λem=440 nm for samples irradiated with N2 laser. The spectra reveal a fluorescence enhancement with the exposure time, with a maximum at 3 min due to the transformation of 5-FU molecule into a fluorescent tautomeric form. The destruction more rapid than usual of the neovascularisation was observed for conjunctive of rabbit eyes, when they are impregnated with 5-FU solution and exposed to incoherent UV and visible light.

Synthesis, characterization and spectroscopic properties of the hydrazodye and new hydrazodye-metal complexes

NASA Astrophysics Data System (ADS)

Bouhdada, M.; EL Amane, M.

2017-12-01

The hydrazodye (L) [disodium (7-hydroxyl-8-phenylazo-1,3-naphthalenedisulfonate)] is prepared and characterized by infrared 1H,13C, NMR and UV-visible spectra. The spectral data of the ligand (L) existing predominantly in the hydrazones form. Reaction of the hydrazodye (L) with Cd2+, Ni2+, Cu2+ and Zn2+ chloride gave two series of metal complexes with general formula [ML2 (OH2)2]2Cl and [ML2 (caf)2]2Cl. Their complexes were identified by FTIR, UV-visible spectra, 1H, 13C, NMR, EPR, XRD and molar conductance. The molar conductance reveals that the new series of metal complexes are non-electrolytes. The postulated octahedral structure of the obtained complexes is also proposed on spectroscopic data analysis.

Modification of fluorescence and optical properties of Rhodamine B dye doped PVA/Chitosan polymer blend films

NASA Astrophysics Data System (ADS)

Padmakumari, R.; Ravindrachary, V.; Mahantesha, B. K.; Sagar, Rohan N.; Sahanakumari, R.; Bhajantri, R. F.

2018-05-01

Pure and Rhodamine B doped Poly (vinyl alcohol)/Chitosan composite films are prepared using solution casting method. Fourier transforms infrared spectra (FTIR), Ultraviolet-Visible (UV-Vis), fluorescence studies were used to characterize the prepared polymer films. The FT-IR results show that the appearance of new peaks along with shift in peak positions indicates the interaction of Rhodamine B with PVA-CS blend. Optical absorption edge, band gap and activation energy were determined from UV-Visible studies. The optical absorption edge increases, band gap decreases and activation energy increases with dopant concentration respectively. The corresponding emission spectra were studied using fluorescence spectroscopy. From the fluorescence study the quenching phenomena are observed in emission wavelength range of 607nm-613nm upon excitation with absorption maxima 443nm.

Ultraviolet variability and mass expulsion from R Aquarii

NASA Technical Reports Server (NTRS)

Kafatos, M.; Michalitsianos, A. G.; Hollis, J. M.

1986-01-01

Ultraviolet spectra in the 1200-3200 A range indicate that the extended nebular features which resemble a jet in the peculiar variable R Aquarii (M7e + pec) increased in excitation in 1985. The emission properties of the compact H II region that surrounds the unresolved binary, and those of the extended nebular jet, have been analyzed from low-resolution IUE spectra of these regions. In particular, the UV line intensities observed in the jet appear variable on a time scale of about 1.5 yr. A new accretion disk model is proposed that explains the kinematic and ionization properties of discrete components which comprise the jet emission nebulosity, the appearance of the jet in the 1980s, and morphology that uniquely characterizes the R Aquarii system at radio, optical, UV, and X-ray wavelengths.

Polyethyleneglycol/silver functionalized reduced graphene oxide aerogel for environmental application

NASA Astrophysics Data System (ADS)

Kumari, G. Vanitha; Asha, S.; Ananth, A. Nimrodh; Rajan, M. A. Jothi; Mathavan, T.

2018-04-01

Polyethylene glycol (PEG)/Silver (Ag) functionalized reduced graphene oxide aerogel (RGOA) was synthesized. PEG/Ag decorated reduced graphene oxide aerogel was characterized using XRD, Raman spectroscopy, Fourier transform infrared spectroscopy (FT-IR). The surface morphology of PEG/Ag/RGOA was analyzed using scanning electron microscope. The non-covalent interaction between reduced graphene oxide layers and the interaction between PEG and Ag on RGOA were studied by FT-IR spectra. It was observed that the interaction between Ag and PEG could enhance the properties of RGOA. Methyl Orange (MO) dye degradation was observed from UV-Vis Spectra. The process was studied by monitoring the simultaneous decrease in the height of UV-Vis absorption peak of dye solution. The results show that PEG/RGOA and PEG/Ag/RGOA are an efficient catalyst for dye degradation.

Reference Ultraviolet Wavelengths of Cr III Measured by Fourier Transform Spectrometry

NASA Technical Reports Server (NTRS)

Smillie, D.G.; Pickering, J.C.; Smith, P.L.

2008-01-01

We report Cr III ultraviolet (UV) transition wavelengths measured using a high-resolution Fourier transform spectrometer (FTS), for the first time, available for use as wavelength standards. The doubly ionized iron group element spectra dominate the observed opacity of hot B stars in the UV, and improved, accurate, wavelengths are required for the analysis of astronomical spectra. The spectrum was excited using a chromium-neon Penning discharge lamp and measured with the Imperial College vacuum ultraviolet FTS. 140 classified 3d(exp 3)4s- 3d(exp 3)4p Cr III transition lines, in the spectral range 38,000 to 49,000 cm(exp -1) (2632 to 2041 A), the strongest having wavelength uncertainties less than one part in 10(exp 7), are presented.

Distribution and nature of UV absorbers on Trition's surface

NASA Technical Reports Server (NTRS)

Stern, S. Alan

1995-01-01

Substantial evidence suggests that a UV (ultraviolet) Spectrally Absorbing Material (UV-SAM) exists on Triton's surface. This evidence is found in the positive slope in Triton's spectrum from the UV to the near-IR, and the increasing contrast in Triton's light curve in the blue and UV. Although it is now widely-thought that UV-SAM's exist on Triton, little is known about their distribution and spectral properties. The goal of this NDAP Project is to determine the spatial distribution and geological context of the UV-SAM material. We hope to determine if UV-SAM's on Triton are correlated with geologic wind streaks, craters, calderas, geomorphic/topographic units, regions containing (or lacking) volatile frosts, or some other process (e.g., magnetospheric interactions). Once the location and distribution of UV-SAM's has been determined, further constraints on their composition can be made by analyzing the spectrographic data set. To accomplish these goals, various data sets will be used, including Voyager 2 UV and visible images of Triton's surface, IUE and HST spectra of Triton, and a geologic map of the surface based on Voyager 2 and spectrophotometric data. The results of this research will be published in the planetary science literature.

Distribution and nature of UV absorbers on Triton's surface

NASA Technical Reports Server (NTRS)

Stern, S. Alan

1995-01-01

Substantial evidence suggests that a UV spectrally Absorbing Material (UV-SAM) exists on Triton's surface. This evidence is found in the positive slope in Triton's spectrum from the UV to the near-IR, and the increasing contrast in Triton's light curve in the blue and UV. Although it is now widely-thought that UV-SAMs exist on Triton, little is known about their distribution and spectral properties. The goal of this NDAP Project is to determine the spatial distribution and geological context of the UV-SaM material. We hope to determine if UV-SAMs on Triton are correlated with geologic wind streaks, craters, calderas, geomorphic/topographic units, regions containing (or lacking) volatile frosts, or some other process (e.g., magnetospheric interactions). Once the location and distribution of UV-SAMs has been determined, further constraints on their composition cable made by analyzing the spectrographic data set. To accomplish these goals, various data sets will be used, including Voyager 2 UV and visible images of Triton's surface, IUE and HST spectra of Triton, and a geologic map of the surface based on voyager 2 and spectrophotometric data. The results of this research will be published in the planetary science literature.

Distribution and nature of UV absorbers on Triton's surface

NASA Technical Reports Server (NTRS)

Stern, S. Alan

1994-01-01

Substantial evidence suggests that a UV Spectrally Absorbing Material (UV-SAM) exists on Triton's surface. This evidence is found in the positive slope in Triton's spectrum from the UV to the near-IR, and the increasing contrast in Triton's light curve in the blue and UV. Although it is now widely-thought that UV-SAM's exist on Triton, little is known about their distribution and spectral properties. The goal of this NDAP Project is to determine the spatial distribution and geological context of the UV-SAM material. We hope to determine if UV-SAM's on Triton are correlated with geologic wind streaks, craters, calderas, geomorphic/topographic units, regions containing (or lacking) volatile frosts, or some other process (e.g., magnetospheric interactions). Once the location and distribution of UV-SAM's has been determined, further constraints on their composition can be made by analyzing the spectrographic data set. To accomplish these goals, various data sets will be used, including Voyager 2 UV and visible images of Triton's surface, IUE and HST spectra of Triton, and a geologic map of the surface based on Voyager 2 and spectrophotometric data. The results of this research will be published in the planetary science literature.

Photoelectron spectra and biological activity of cinnamic acid derivatives revisited

NASA Astrophysics Data System (ADS)

Novak, Igor; Klasinc, Leo; McGlynn, Sean P.

2018-01-01

The electronic structures of several derivatives of cinnamic acid have been studied by UV photoelectron spectroscopy (UPS) and Green's function quantum chemical calculations. The spectra reveal the presence of dimers in the gas phase for p-coumaric and ferulic acids. The electronic structure analysis has been related to the biological properties of these compounds through the analysis of some structure-activity relationships (SAR).

Colliding stellar winds in O-type close binary systems

NASA Technical Reports Server (NTRS)

Gies, Douglas R.

1991-01-01

A study of the stellar wind properties of O-type close binary systems is presented. The main objective of this program was to search for colliding winds in four systems, AO Cas, iota Ori, Plaskett's star, and 29 UW CMa, through an examination of high dispersion UV spectra from IUE and optical spectra of the H alpha and He I lambda 6678 emission lines.

Monomeric and dimeric structures analysis and spectroscopic characterization of 3,5-difluorophenylboronic acid with experimental (FT-IR, FT-Raman, 1H and 13C NMR, UV) techniques and quantum chemical calculations

NASA Astrophysics Data System (ADS)

Karabacak, Mehmet; Kose, Etem; Atac, Ahmet; Asiri, Abdullah M.; Kurt, Mustafa

2014-01-01

The spectroscopic properties of 3,5-difluorophenylboronic acid (3,5-DFPBA, C6H3F2B(OH)2) were investigated by FT-IR, FT-Raman UV-Vis, 1H and 13C NMR spectroscopic techniques. FT-IR (4000-400 cm-1) and FT-Raman spectra (3500-10 cm-1) in the solid phase and 1H and 13C NMR spectra in DMSO solution were recorded. The UV spectra that dissolved in ethanol and water were recorded in the range of 200-400 nm for each solution. The structural and spectroscopic data of the molecule have been obtained for possible three conformers from DFT (B3LYP) with 6-311++G(d,p) basis set calculations. The geometry of the molecule was fully optimized, vibrational spectra were calculated and fundamental vibrations were assigned on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method and PQS program. Hydrogen-bonded dimer of title molecule, optimized by counterpoise correction, was also studied B3LYP at the 6-311++G(d,p) level and the effects of molecular association through O-H⋯O hydrogen bonding have been discussed. 1H and 13C NMR chemical shifts were calculated by using the gauge-invariant atomic orbital (GIAO) method. The electronic properties, such as excitation energies, oscillator strength, wavelengths, HOMO and LUMO energies, were performed by time-dependent density functional theory (TD-DFT) results complements with the experimental findings. Total and partial density of state (TDOS and PDOS) and also overlap population density of state (OPDOS) diagrams analysis were presented. The effects due to the substitutions of boric acid group and halogen were investigated. The results of the calculations were applied to simulate spectra of the title compound, which show excellent agreement with observed spectra. Besides, frontier molecular orbitals (FMO), molecular electrostatic potential (MEP), nonlinear optical properties (NLO) and thermodynamic features were performed.

Assessing pearl quality using reflectance UV-Vis spectroscopy: does the same donor produce consistent pearl quality?

PubMed

Mamangkey, Noldy Gustaf F; Agatonovic, Snezana; Southgate, Paul C

2010-09-20

Two groups of commercial quality ("acceptable") pearls produced using two donors, and a group of "acceptable" pearls from other donors were analyzed using reflectance UV-Vis spectrophotometry. Three pearls with different colors produced by the same donor showed different absorption spectra. Cream and gold colored pearls showed a wide absorption from 320 to about 460 nm, while there was just slight reflectance around 400 nm by the white pearl with a pink overtone. Cream and gold pearls reached a reflectance peak at 560 to 590 nm, while the white pearl with pink overtone showed slightly wider absorption in this region. Both cream and gold pearls showed an absorption peak after the reflectance peak, at about 700 nm for the cream pearl and 750 nm for the gold pearl. Two other pearls produced by the same donor (white with cream overtone and cream with various overtones) showed similar spectra, which differed in their intensity. One of these pearls had very high lustre and its spectrum showed a much higher percentage reflectance than the second pearl with inferior lustre. This result may indicate that reflectance is a useful quantitative indicator of pearl lustre. The spectra of two white pearls resulting from different donors with the same color nacre (silver) showed a reflectance at 260 nm, followed by absorption at 280 nm and another reflectance peak at 340 nm. After this peak the spectra for these pearls remained flat until a slight absorption peak around 700 nm. Throughout the visible region, all white pearls used in this study showed similar reflectance spectra although there were differences in reflectance intensity. Unlike the spectral results from white pearls, the results from yellow and gold pearls varied according to color saturation of the pearl. The results of this study show that similarities between absorption and reflectance spectra of cultured pearls resulting from the same saibo donor are negligible and could not be detected with UV-Vis spectrophotometry. Nevertheless, this technique could have a role to play in developing less subjective methods of assessing pearl quality and in further studies of the relationships between pearl quality and that of the donor and recipient oysters.

FDA-sunlamp recommended Maximum Timer Interval And Exposure Schedule: consensus ISO/CIE dose equivalence.

PubMed

Dowdy, John C; Czako, Eugene A; Stepp, Michael E; Schlitt, Steven C; Bender, Gregory R; Khan, Lateef U; Shinneman, Kenneth D; Karos, Manuel G; Shepherd, James G; Sayre, Robert M

2011-09-01

The authors compared calculations of sunlamp maximum exposure times following current USFDA Guidance Policy on the Maximum Timer Interval and Exposure Schedule, with USFDA/CDRH proposals revising these to equivalent erythemal exposures of ISO/CIE Standard Erythema Dose (SED). In 2003, [USFDA/CDRH proposed replacing their unique CDRH/Lytle] erythema action spectrum with the ISO/CIE erythema action spectrum and revising the sunlamp maximum exposure timer to 600 J m(-2) ISO/CIE effective dose, presented as being biologically equivalent. Preliminary analysis failed to confirm said equivalence, indicating instead ∼38% increased exposure when applying these proposed revisions. To confirm and refine this finding, a collaboration of tanning bed and UV lamp manufacturers compiled 89 UV spectra representing a broad sampling of U.S. indoor tanning equipment. USFDA maximum recommended exposure time (Te) per current sunlamp guidance and CIE erythemal effectiveness per ISO/CIE standard were calculated. The CIE effective dose delivered per Te averaged 456 J(CIE) m(-2) (SD = 0.17) or ∼4.5 SED. The authors found that CDRH's proposed 600 J(CIE) m(-2) recommended maximum sunlamp exposure exceeds current Te erythemal dose by ∼33%. The current USFDA 0.75 MED initial exposure was ∼0.9 SED, consistent with 1.0 SED initial dose in existing international sunlamp standards. As no sunlamps analyzed exceeded 5 SED, a revised maximum exposure of 500 J(CIE) m(-2) (∼80% of CDRH's proposal) should be compatible with existing tanning equipment. A tanning acclimatization schedule is proposed beginning at 1 SED thrice-weekly, increasing uniformly stepwise over 4 wk to a 5 SED maximum exposure in conjunction with a tan maintenance schedule of twice-weekly 5 SED sessions, as biologically equivalent to current USFDA sunlamp policy.

DFT calculations and experimental FT-IR, FT-Raman, NMR, UV-Vis spectral studies of 3-fluorophenylboronic acid

NASA Astrophysics Data System (ADS)

Karabacak, M.; Kose, E.; Sas, E. B.; Kurt, M.; Asiri, A. M.; Atac, A.

2015-02-01

The spectroscopic (FT-IR, FT-Raman, 1H and 13C NMR, UV-Vis), structural, electronic and thermodynamical properties of 3-fluorophenylboronic acid (C6H4FB(OH)2), 3FPBA) were submitted by using both experimental techniques and theoretical methods (quantum chemical calculations) in this work. The experimental infrared and Raman spectra were obtained in the region 4000-400 cm-1 and 3500-10 cm-1, respectively. The equilibrium geometry and vibrational spectra were calculated by using DFT (B3LYP) with 6-311++G(d,p) basis set. The vibrational wavenumbers were also corrected with scale factor to take better results for the calculated data. The total energy distributions (TED) of the vibrational modes were performed for the assignments of the title molecule by using scaled quantum mechanics (SQM) method. The NMR chemical shifts (1H and 13C) were recorded in DMSO solution. The 1H and 13C NMR spectra were computed by using the gauge-invariant atomic orbital (GIAO) method, showing a good agreement with the experimental ones. The last one UV-Vis absorption spectra were analyzed in two solvents (ethanol and water), saved in the range of 200-400 nm. In addition these, HOMO and LUMO energies, the excitation energies, density of states (DOS) diagrams, thermodynamical properties and molecular electrostatic potential surface (MEPs) were presented. Nonlinear optical (NLO) properties and thermodynamic features were performed. The experimental results are combined with the theoretical calculations using DFT calculations to fortification of the paper. At the end of this work, the results were proved our paper had been indispensable for the literature backing.

Filling the Void: A Comprehensive Survey of the Intergalactic Medium at z 1 Using STIS/COS Archival Spectra

NASA Astrophysics Data System (ADS)

Khaire, Vikram

2017-08-01

There exists a large void in our understanding of the intergalactic medium (IGM) at z=0.5-1.5, spanning a significant cosmic time of 4 Gyr. This hole resulted from a paucity of near-UV QSO spectra, which were historically very expensive to obtain. However, with the advent of COS and the HST UV initiative, sufficient STIS/COS NUV spectra have finally become available, enabling the first statistical analyses. We propose a comprehensive study of the z 1 IGM using the Ly-alpha forest of 26 archival QSO spectra. This analysis will: (1) measure the distribution of HI absorbers to several percent precision down to log NHI < 13 to test our model of the IGM, and determine the extragalactic UV background (UVB) at that epoch; (2) measure the Ly-alpha forest power spectrum to 12%, providing another precision test of LCDM and our theory of the IGM; (3) measure the thermal state of the IGM, which reflects the balance of heating (photoheating, HI/HeII reionization) and cooling (Hubble expansion) of cosmic baryons, and directly verify the predicted cooldown of IGM gas after reionization for the first time; (4) generate high-quality reductions, coadds, and continuum fits that will be released to the public to enable other science cases. These results, along with our state-of-the-art hydrodynamical simulations, and theoretical models of the UVB, will fill the 4 Gyr hole in our understanding of the IGM. When combined with existing HST and ground-based data from lower and higher z, they will lead to a complete, empirical description of the IGM from HI reionization to the present, spanning more than 10 Gyr of cosmic history, adding substantially to Hubble's legacy of discovery on the IGM.

Insights into quasar UV spectra using unsupervised clustering analysis

NASA Astrophysics Data System (ADS)

Tammour, A.; Gallagher, S. C.; Daley, M.; Richards, G. T.

2016-06-01

Machine learning techniques can provide powerful tools to detect patterns in multidimensional parameter space. We use K-means - a simple yet powerful unsupervised clustering algorithm which picks out structure in unlabelled data - to study a sample of quasar UV spectra from the Quasar Catalog of the 10th Data Release of the Sloan Digital Sky Survey (SDSS-DR10) of Paris et al. Detecting patterns in large data sets helps us gain insights into the physical conditions and processes giving rise to the observed properties of quasars. We use K-means to find clusters in the parameter space of the equivalent width (EW), the blue- and red-half-width at half-maximum (HWHM) of the Mg II 2800 Å line, the C IV 1549 Å line, and the C III] 1908 Å blend in samples of broad absorption line (BAL) and non-BAL quasars at redshift 1.6-2.1. Using this method, we successfully recover correlations well-known in the UV regime such as the anti-correlation between the EW and blueshift of the C IV emission line and the shape of the ionizing spectra energy distribution (SED) probed by the strength of He II and the Si III]/C III] ratio. We find this to be particularly evident when the properties of C III] are used to find the clusters, while those of Mg II proved to be less strongly correlated with the properties of the other lines in the spectra such as the width of C IV or the Si III]/C III] ratio. We conclude that unsupervised clustering methods (such as K-means) are powerful methods for finding `natural' binning boundaries in multidimensional data sets and discuss caveats and future work.

DFT calculations and experimental FT-IR, FT-Raman, NMR, UV-Vis spectral studies of 3-fluorophenylboronic acid.

PubMed

Karabacak, M; Kose, E; Sas, E B; Kurt, M; Asiri, A M; Atac, A

2015-02-05

The spectroscopic (FT-IR, FT-Raman, (1)H and (13)C NMR, UV-Vis), structural, electronic and thermodynamical properties of 3-fluorophenylboronic acid (C6H4FB(OH)2), 3FPBA) were submitted by using both experimental techniques and theoretical methods (quantum chemical calculations) in this work. The experimental infrared and Raman spectra were obtained in the region 4000-400 cm(-1) and 3500-10 cm(-1), respectively. The equilibrium geometry and vibrational spectra were calculated by using DFT (B3LYP) with 6-311++G(d,p) basis set. The vibrational wavenumbers were also corrected with scale factor to take better results for the calculated data. The total energy distributions (TED) of the vibrational modes were performed for the assignments of the title molecule by using scaled quantum mechanics (SQM) method. The NMR chemical shifts ((1)H and (13)C) were recorded in DMSO solution. The (1)H and (13)C NMR spectra were computed by using the gauge-invariant atomic orbital (GIAO) method, showing a good agreement with the experimental ones. The last one UV-Vis absorption spectra were analyzed in two solvents (ethanol and water), saved in the range of 200-400 nm. In addition these, HOMO and LUMO energies, the excitation energies, density of states (DOS) diagrams, thermodynamical properties and molecular electrostatic potential surface (MEPs) were presented. Nonlinear optical (NLO) properties and thermodynamic features were performed. The experimental results are combined with the theoretical calculations using DFT calculations to fortification of the paper. At the end of this work, the results were proved our paper had been indispensable for the literature backing. Copyright © 2014 Elsevier B.V. All rights reserved.

Hand-held synchronous scan spectrometer for in situ and immediate detection of live/dead bacteria ratio

NASA Astrophysics Data System (ADS)

Li, Runze; Goswami, Umang; Walck, Matthew; Khan, Kasfia; Chen, Jie; Cesario, Thomas C.; Rentzepis, Peter M.

2017-11-01

The design, construction, and operation of a hand-held synchronously scanned, excitation-emission, double monochromator spectrometer is described. Data show that it is possible to record and display within minutes the fluorescence spectra and ratio of live/dead bacteria in situ. Excitation emission matrix contour plots display clearly bacteria fluorescence spectra before and after UV inactivation, respectively. The separation of the fluorescence band maxima of molecular components, such as tryptophan, tyrosine, and DNA, may be distinguished in the diffused fluorescence spectra of bacteria and mixtures.

Hand-held synchronous scan spectrometer for in situ and immediate detection of live/dead bacteria ratio.

PubMed

Li, Runze; Goswami, Umang; Walck, Matthew; Khan, Kasfia; Chen, Jie; Cesario, Thomas C; Rentzepis, Peter M

2017-11-01

The design, construction, and operation of a hand-held synchronously scanned, excitation-emission, double monochromator spectrometer is described. Data show that it is possible to record and display within minutes the fluorescence spectra and ratio of live/dead bacteria in situ. Excitation emission matrix contour plots display clearly bacteria fluorescence spectra before and after UV inactivation, respectively. The separation of the fluorescence band maxima of molecular components, such as tryptophan, tyrosine, and DNA, may be distinguished in the diffused fluorescence spectra of bacteria and mixtures.

HPLC and chemometrics-assisted UV-spectroscopy methods for the simultaneous determination of ambroxol and doxycycline in capsule

NASA Astrophysics Data System (ADS)

Hadad, Ghada M.; El-Gindy, Alaa; Mahmoud, Waleed M. M.

2008-08-01

High-performance liquid chromatography (HPLC) and multivariate spectrophotometric methods are described for the simultaneous determination of ambroxol hydrochloride (AM) and doxycycline (DX) in combined pharmaceutical capsules. The chromatographic separation was achieved on reversed-phase C 18 analytical column with a mobile phase consisting of a mixture of 20 mM potassium dihydrogen phosphate, pH 6-acetonitrile in ratio of (1:1, v/v) and UV detection at 245 nm. Also, the resolution has been accomplished by using numerical spectrophotometric methods as classical least squares (CLS), principal component regression (PCR) and partial least squares (PLS-1) applied to the UV spectra of the mixture and graphical spectrophotometric method as first derivative of the ratio spectra ( 1DD) method. Analytical figures of merit (FOM), such as sensitivity, selectivity, analytical sensitivity, limit of quantitation and limit of detection were determined for CLS, PLS-1 and PCR methods. The proposed methods were validated and successfully applied for the analysis of pharmaceutical formulation and laboratory-prepared mixtures containing the two component combination.

Synthesis of Ni nanoparticles decorated SiO2/TiO2 magnetic spheres for enhanced photocatalytic activity towards the degradation of azo dye

NASA Astrophysics Data System (ADS)

Mahesh, K. P. O.; Kuo, Dong-Hau

2015-12-01

Highly photocatalytic active Ni magnetic nanoparticles-decorated SiO2 core/TiO2 shell (Ni-SiO2/TiO2) particles have been prepared by the simultaneous hydrolysis and condensation of titanium tetra-isopropoxide on SiO2 sphere of ∼300 nm in size followed by the reduction of nickel chloride using hydrazine hydrate as a reducing agent. The crystalline nature, surface morphology, electrochemical impedance spectra and UV-vis diffuse reflectance spectra of the Ni-SiO2/TiO2 magnetic spheres were characterized by PXRD, FE-SEM, TEM, EIS and UV-vis DRS. The Ni-SiO2/TiO2 magnetic photocatalyst was used for the degradation of Acid Black 1 (AB 1) dye under UV irradiation. The effects of different concentrations of the Ni nanoparticles deposited on the SiO2/TiO2 composite spheres for the photo-mineralization of AB 1 dye were analyzed. The results showed the Ni-SiO2/TiO2 magnetic photocatalyst to be efficient and reusable.

UV Studies of Jupiter's Aerosols and Hydrocarbons

NASA Technical Reports Server (NTRS)

Pryor, Wayne

2004-01-01

This project funded research related to our involvement in the Galileo Ultraviolet Spectrometer experiment. Pryor was a Co-I on that experiment, which recently ended when Galileo crashed into Jupiter's atmosphere. It also funded related research on HST observations of Jupiter's atmosphere, and Cassini observations of Jupiter's atmosphere, and ground-based studies of Jupiter's atmosphere using the facilities of McDonald Observatory. Specific activities related to this grant include study of UV spectra returned by Galileo UVS and Cassini UVIS, development of simple models to explain these spectra, participation in archiving activities for these data sets, travel to conferences, and publication of scientific papers. Highlights of our Jupiter research efforts include: 1.) evidence for heavy hydrocarbons in Jupiter's atmosphere (from HST) (Clarke et al. poster), that may be the source of Jupiter's stratospheric aerosols, 2.) detection of auroral flares in Jupiter's atmosphere from Galileo (Pryor et al., 2001). 3.) establishing a connection between coronal mass ejections and auroral outbursts (Gurnett et al., 2002), and 4) establishing a connection between short-term variations in Jupiter's auroral emissions and radio emissions (Pryor et al. presented at AGU in 2002, paper in preparation).

Specific behavior of the p-aminothiophenol--silver sol system in their Ultra-Violet-Visible (UV-Visible) and Surface Enhanced Raman (SERS) spectra.

PubMed

Firkala, Tamás; Tálas, Emília; Mihály, Judith; Imre, Tímea; Kristyán, Sándor

2013-11-15

The UV-Visible and Surface Enhanced Raman Spectroscopy (SERS) behavior of silver sol (a typical SERS agent) were studied in the presence of different bifunctional thiols such as p-aminothiophenol, p-mercaptobenzoic acid, p-nitrothiophenol, p-aminothiophenol hydrochloride, and 2-mercaptoethylamine hydrochloride in diluted aqueous solution. Our results confirm that the p-aminothiophenol induced aggregation of citrate stabilized silver colloid originates from its electrostatic nature, as well as the azo-bridge formation cannot be the reason of the observed time dependent UV-Visible spectra. Based on our parallel SERS and electrospray ionization mass spectrometry measurements, we have concluded that certain amount of oxidized form of the probe molecule has to be present for the so-called b2-mode enhancement in the SERS spectrum of p-aminothiophenol. Our findings seem to support the idea that the azo-bridge formation is responsible for the b2-mode enhancement in the SERS spectrum of p-aminothiophenol. Copyright © 2013 Elsevier Inc. All rights reserved.

Experimental and theoretical studies on IR, Raman, and UV-Vis spectra of quinoline-7-carboxaldehyde.

PubMed

Kumru, M; Küçük, V; Kocademir, M; Alfanda, H M; Altun, A; Sarı, L

2015-01-05

Spectroscopic properties of quinoline-7-carboxaldehyde (Q7C) have been studied in detail both experimentally and theoretically. The FT-IR (4000-50 cm(-1)), FT-Raman (4000-50 cm(-1)), dispersive-Raman (3500-50 cm(-1)), and UV-Vis (200-400 nm) spectra of Q7C were recorded at room temperature (25 °C). Geometry parameters, potential energy surface about CCH(O) bond, harmonic vibrational frequencies, IR and Raman intensities, UV-Vis spectrum, and thermodynamic characteristics (at 298.15K) of Q7C were computed at Hartree-Fock (HF) and density functional B3LYP levels employing the 6-311++G(d,p) basis set. Frontier molecular orbitals, molecular electrostatic potential, and Mulliken charge analyses of Q7C have also been performed. Q7C has two stable conformers that are energetically very close to each other with slight preference to the conformer that has oxygen atom of the aldehyde away from the nitrogen atom of the quinoline. Copyright © 2014 Elsevier B.V. All rights reserved.

HPLC and chemometrics-assisted UV-spectroscopy methods for the simultaneous determination of ambroxol and doxycycline in capsule.

PubMed

Hadad, Ghada M; El-Gindy, Alaa; Mahmoud, Waleed M M

2008-08-01

High-performance liquid chromatography (HPLC) and multivariate spectrophotometric methods are described for the simultaneous determination of ambroxol hydrochloride (AM) and doxycycline (DX) in combined pharmaceutical capsules. The chromatographic separation was achieved on reversed-phase C(18) analytical column with a mobile phase consisting of a mixture of 20mM potassium dihydrogen phosphate, pH 6-acetonitrile in ratio of (1:1, v/v) and UV detection at 245 nm. Also, the resolution has been accomplished by using numerical spectrophotometric methods as classical least squares (CLS), principal component regression (PCR) and partial least squares (PLS-1) applied to the UV spectra of the mixture and graphical spectrophotometric method as first derivative of the ratio spectra ((1)DD) method. Analytical figures of merit (FOM), such as sensitivity, selectivity, analytical sensitivity, limit of quantitation and limit of detection were determined for CLS, PLS-1 and PCR methods. The proposed methods were validated and successfully applied for the analysis of pharmaceutical formulation and laboratory-prepared mixtures containing the two component combination.

Theoretical study on the spectroscopic properties of CO3(*-).nH2O clusters: extrapolation to bulk.

PubMed

Pathak, Arup K; Mukherjee, Tulsi; Maity, Dilip K

2008-10-24

Vertical detachment energies (VDE) and UV/Vis absorption spectra of hydrated carbonate radical anion clusters, CO(3)(*-).nH(2)O (n=1-8), are determined by means of ab initio electronic structure theory. The VDE values of the hydrated clusters are calculated with second-order Moller-Plesset perturbation (MP2) and coupled cluster theory using the 6-311++G(d,p) set of basis functions. The bulk VDE value of an aqueous carbonate radical anion solution is predicted to be 10.6 eV from the calculated weighted average VDE values of the CO(3)(*-).nH(2)O clusters. UV/Vis absorption spectra of the hydrated clusters are calculated by means of time-dependent density functional theory using the Becke three-parameter nonlocal exchange and the Lee-Yang-Parr nonlocal correlation functional (B3LYP). The simulated UV/Vis spectrum of the CO(3)(*-).8H(2)O cluster is in excellent agreement with the reported experimental spectrum for CO(3)(*-) (aq), obtained based on pulse radiolysis experiments.

Synthesis and characterization of photo-crosslinkable 4-styryl-pyridine modified alginate.

PubMed

Elsayed, Nadia H; Monier, M; Alatawi, Raedah A S

2016-07-10

In this article photo-crosslinkablestyryl-pyridine modified alginate (ASP-Alg) was prepared and entirely investigated utilizing different instrumental techniques such as Elemental analysis, Fourier transform infrared (FTIR),(13)C and (1)H nuclear magnetic resonance (NMR), ultraviolet-visible light (UV-vis), X-ray diffraction (XRD) spectra and scanning electron microscope (SEM). Upon irradiation in the UV region, the casted ASP-Alg membranes were cross-linked through the [2π+2π] cycloaddition reaction of the inserted photo-active styryl pyridine moieties. Both cross-linking density and kinetics were monitored by examining the UV-vis light spectra of the irradiated membrane at predetermined time intervals and the obtained results were found to fit with the second order mathematical kinetic model, revealing the performance of the cross-linking via bimolecular [2π+2π] cycloaddition reaction. Also, the swelling behaviors along with biodegradability were also studied, and the results indicated the decrease of the swelling ratio and degradation rate by increasing the cross-linking density. Moreover, the mechanical properties were also examined under both wet and dry conditions. Copyright © 2016 Elsevier Ltd. All rights reserved.

Biosynthesis of silver nanoparticles by using Ganoderma-mushroom extract

NASA Astrophysics Data System (ADS)

Ekar, S. U.; Khollam, Y. B.; Koinkar, P. M.; Mirji, S. A.; Mane, R. S.; Naushad, M.; Jadhav, S. S.

2015-03-01

Present study reports the biochemical synthesis of silver nanoparticles (Ag-NPs) from aqueous medium by using the extract of medicinal mushroom Ganoderma, as a reducing and stabilizing agents. The Ag-NPs are prepared at room temperature by the reduction of Ag+ to Ag in aqueous solution of AgNO3. The resultant particles are characterized by using UV-visible spectroscopy, Fourier transform infrared (FTIR) spectroscopy and transmission electron microscopy (TEM) measurement techniques. The formation of Ag-NPs is confirmed by recording the UV-visible absorption spectra for surface plasmon resonance (SPR) where peak around 427 nm. The prominent changes observed in FTIR spectra supported the reduction of Ag+ to Ag. The morphological features of Ag-NPs are evaluated from HRTEM. The spherical Ag-NPs are observed in transmission electron microscopy (TEM) studies. The particle size distribution is found to be nearly uniform with average particle size of 2 nm. The Ag-NPs aged for 15, 30, 60 and 120 days showed no profound effect on the position of SPR peak in UV-visible studies, indicating the protecting/capping ability of medicinal mushroom Ganoderma in the synthesis of Ag-NPs.

Optical, electrical, thermal properties of cadmium chloride doped PVA – PVP blend

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baraker, Basavarajeshwari M.; Hammannavar, Preeti B.; Lobo, Blaise, E-mail: blaise.lobo@gmail.com

2015-06-24

Films of polyvinylalcohol (PVA) – polyvinylpyrrolidone (PVP) blend doped with Cadmium Chloride (CdCl{sub 2}) in the doping range 1 wt% to 40 wt% were prepared by solution casting technique. These films were characterized using optical/UV-Vis- NIR spectroscopy, Differential Scanning Calorimetry (DSC) and DC electrical measurements. The UV-Visible spectra were quantitatively analyzed to yield the optical parameters. The UV-Visible Spectra show intermediate absorption bands (before the final absorption edge) due to formation of energy bands in the forbidden gap of PVA-PVP. There is a prominent absorption band at 2.9 eV, from 0.5 wt% up to 1.8 wt% doping level (DL) causedmore » by the dopant (CdCl{sub 2}). The DC electrical studies showed an increase in activation energy from 2.8 eV at 0.5 wt% DL up to 3.5 eV at 4.4 wt% DL, reaching a low of 2.4 eV at 11.2 wt% DL. DSC scans show evidence of formation of chain fragments, at doping levels beyond 8 wt%.« less

Protective and therapeutic effects of fucoxanthin against sunburn caused by UV irradiation.

PubMed

Matsui, Mio; Tanaka, Kosuke; Higashiguchi, Naoki; Okawa, Hisato; Yamada, Yoichi; Tanaka, Ken; Taira, Soichiro; Aoyama, Tomoko; Takanishi, Misaki; Natsume, Chika; Takakura, Yuuki; Fujita, Norihisa; Hashimoto, Takeshi; Fujita, Takashi

2016-09-01

Mild exposure to ultraviolet (UV) radiation is also harmful and hazardous to the skin and often causes a photosensitivity disorder accompanied by sunburn. To understand the action of UV on the skin we performed a microarray analysis to isolate UV-sensitive genes. We show here that UV irradiation promoted sunburn and downregulated filaggrin (Flg); fucoxanthin (FX) exerted a protective effect. In vitro analysis showed that UV irradiation of human dermal fibroblasts caused production of intracellular reactive oxygen species (ROS) without cellular toxicity. ROS production was diminished by N-acetylcysteine (NAC) or FX, but not by retinoic acid (RA). In vivo analysis showed that UV irradiation caused sunburn and Flg downregulation, and that FX, but not NAC, RA or clobetasol, exerted a protective effect. FX stimulated Flg promoter activity in a concentration-dependent manner. Flg promoter deletion and chromatin immunoprecipitation analysis showed that caudal type homeo box transcription factor 1 (Cdx1) was a key factor for Flg induction. Cdx1 was also downregulated in UV-exposed skin. Therefore, our data suggested that the protective effects of FX against UV-induced sunburn might be exerted by promotion of skin barrier formation through induction of Flg, unrelated to quenching of ROS or an RA-like action. Copyright © 2016 The Authors. Production and hosting by Elsevier B.V. All rights reserved.

A catalog of 0.2 A resolution far-ultraviolet stellar spectra measured with Copernicus

NASA Technical Reports Server (NTRS)

Snow, T. P., Jr.; Jenkins, E. B.

1977-01-01

Spectra between 1000 and 1450 A for 60 O- and B-type stars observed by Copernicus at 0.2-A resolution are presented in three forms: tables containing the numerical data, plots showing renormalized spectra, and synthetic photographic spectra. The data have been corrected for all instrument effects of importance for the photometric accuracy except fluctuations in continuum level caused by small variations in spacecraft guidance. Spectrometer sensitivity curves are provided for use in converting to absolute fluxes. It is expected that this catalog will be of use for research on many aspects of stellar UV spectra, including spectral classification, line identification, abundance determinations, spectrum synthesis, model atmosphere calculations, flux distributions, bolometric corrections, stellar winds, and mass loss.

Effects of Space Weathering on Reflectance Spectra of Ureilites: First Studies

NASA Technical Reports Server (NTRS)

Goodrich, C. A.; Gillis-Davis, J.; Cloutis, E.; Applin, D.; Takir, D.; Hibbitts, C.; Christoffersen, R.; Fries, M.; Klima, R.; Decker, S.

2018-01-01

Ureilites are differentiated meteorites (ultramafic rocks interpreted to be mantle residues) that contain as much carbon as the most carbon-rich carbonaceous chondrites (CCs). Reflectance spectra of ureilites are similar to those of some CCs. Hence, ureilitic asteroids may accidentally be categorized as primitive because their spectra could resemble those of C-complex asteroids, which are thought to be CC-like. We began spectral studies of progressively laser-weathered ureilites with the goals of predicting UV-VIS-IR spectra of ureilitic asteroids, and identifying features that could distinguish differentiated from primitive dark asteroids. Space weathering has not previously been studied for ureilites, and, based on space weathering studies of CCs and other C-rich materials, it could significantly alter their reflectance spectra.