ComPAQS: a compact concentric UV/visible spectrometer, providing a new tool for air quality monitoring from space

NASA Astrophysics Data System (ADS)

Leigh, Roland J.; Whyte, C.; Cutter, M. A.; Lobb, D. R.; Monks, P. S.

2017-11-01

Under the first phase of the Centre for Earth Observation Instrumentation (CEOI), a breadboard demonstrator of a novel UV/VIS spectrometer has been developed. Using designs from Surrey Satellite Technology Ltd (SSTL) the demonstrator has been constructed and tested at the University of Leicester's Space Research Centre. This spectrometer provides an exceptionally compact instrument for differential optical absorption spectroscopy (DOAS) applications from LEO, GEO, HAP or ground-based platforms. Measurement of atmo spheric compounds with climate change or air quality implications is a key driver for the ground and space-based Earth Observation communities. Techniques using UV/VIS spectroscopy such as DOAS provide measurements of ozone profiles, aerosol optical depth, certain Volatile Organic Compounds, halogenated species, and key air quality parameters including tropospheric nitrogen dioxide. Compact instruments providing the necessary optical performance and spectral resolution are therefore a key enabling technology. The Compact Air Quality Spectrometer (CompAQS) features a concentric arrangement of a spherical meniscus lens, a concave spherical mirror and a suitable curved diffraction grating. This compact design provides efficiency and performance benefits over traditional concepts, improving the precision and spatial resolution available from space borne instruments with limited weight and size budgets. The breadboard spectrometer currently operating at the University of Leicester offers high throughput with a spectral range from 310 to 450 nm at 0.5nm(UV) to 1.0nm (visible) resolution, suitable for DOAS applications. The concentric design is capable of handling high relative apertures, owing to spherical aberration and coma being near zero at all surfaces. The design also provides correction for transverse chromatic aberration and distortion, in addition to correcting for the distortion called `smile' - the curvature of the slit image formed at each wavelength. These properties render this design capable of superior spectral and spatial performance with size and weight budgets significantly lower than standard configurations. In this presentation, the design of the spectrometer is detailed, with results from instrument characterisations undertaken at the University of Leicester, including demonstrations of DOAS fits for key air quality species.

The optical blocking filter for the ATHENA wide field imager: ongoing activities towards the conceptual design

NASA Astrophysics Data System (ADS)

Barbera, M.; Branduardi-Raymont, G.; Collura, A.; Comastri, A.; Eder, J.; Kamisiński, T.; Lo Cicero, U.; Meidinger, N.; Mineo, T.; Molendi, S.; Parodi, G.; Pilch, A.; Piro, L.; Rataj, M.; Rauw, G.; Sciortino, L.; Sciortino, S.; Wawer, P.

2015-08-01

ATHENA is the L2 mission selected by ESA to pursue the science theme "Hot and Energetic Universe" (launch scheduled in 2028). One of the key instruments of ATHENA is the Wide Field Imager (WFI) which will provide imaging in the 0.1-15 keV band over a 40'x40' large field of view, together with spectrally and time-resolved photon counting. The WFI camera, based on arrays of DEPFET active pixel sensors, is also sensitive to UV/Vis photons. Optically generated electron-hole pairs may degrade the spectral resolution as well as change the energy scale by introducing a signal offset. For this reason, the use of an X-ray transparent optical blocking filter is needed to allow the observation of all type of X-ray sources that present a UV/Visible bright counterpart. In this paper, we describe the main activities that we are carrying on for the conceptual design of the optical blocking filter, that will be mounted on the filter wheel, in order to satisfy the scientific requirements on optical load from bright UV/Vis astrophysical source, to maximize the X-ray transmission, and to withstand the severe acoustic and vibration loads foreseen during launch.

Shedding Light on the Oxygen Reduction Reaction Mechanism in Ether-Based Electrolyte Solutions: A Study Using Operando UV-Vis Spectroscopy.

PubMed

Hirshberg, Daniel; Sharon, Daniel; Afri, Michal; Lavi, Ronit; Frimer, Aryeh A; Metoki, Noa; Eliaz, Noam; Kwak, Won-Jin; Sun, Yang-Kook; Aurbach, Doron

2018-04-04

Using UV-vis spectroscopy in conjunction with various electrochemical techniques, we have developed a new effective operando methodology for investigating the oxygen reduction reactions (ORRs) and their mechanisms in nonaqueous solutions. We can follow the in situ formation and presence of superoxide moieties during ORR as a function of solvent, cations, anions, and additives in the solution. Thus, using operando UV-vis spectroscopy, we found evidence for the formation of superoxide radical anions during oxygen reduction in LiTFSI/diglyme electrolyte solutions. Nitro blue tetrazolium (NBT) was used to indicate the presence of superoxide moieties based on its unique spectral response. Indeed, the spectral response of NBT containing solutions undergoing ORR could provide a direct indication for the level of association of the Li cations with the electrolyte anions.

Comparisons of Spectral Aerosol Single Scattering Albedo in Seoul, South Korea

NASA Technical Reports Server (NTRS)

Mok, Jungbin; Krotkov, Nickolay A.; Torres, Omar; Jethva, Hiren; Loughman, Robert P.; Spinei, Elena; Campanelli, Monica; Li, Zhanqing; Go, Sujung; Labow, Gordon;

In situ, rapid, and temporally resolved measurements of cellulase adsorption onto lignocellulosic substrates by UV-vis spectrophotometry

Treesearch

Hao Liu; J. Y. Zhu; X. S. Chai

2011-01-01

This study demonstrated two in situ UV-vis spectrophotometric methods for rapid and temporally resolved measurements of cellulase adsorption onto cellulosic and lignocellulosic substrates during enzymatic hydrolysis. The cellulase protein absorption peak at 280 nm was used for quantification. The spectral interferences from light scattering by small fibers (fines) and...

UV-vis spectral property of a multi-hydroxyl Schiff-base derivative and its colorimetric response to some special metal ions.

PubMed

Xing, Lin; Zheng, Xiaoyu; Sun, Wenyu; Yuan, Hua; Hu, Lei; Yan, Zhengquan

2018-06-05

A multi-hydroxyl Schiff-base derivative, N-2'-hydroxyl-1'-naphthyl methylene-2-amino phenol (HNMAP), was synthesized and characterized by FTIR, 1 H NMR and UV-vis spectroscopy. It was noted to find there was great effect for solvent and pH on the UV-vis spectroscopy of HNMAP. Especially, some metal ions could make its UV-vis spectra changed regularly with different time-resolved effects. For example, a real-time and multi-wavelength response to Fe 2+ at 520 nm, 466 nm and 447 nm and a quite slow one about 26 min to Fe 3+ at 447 nm and 466 nm, respectively. Under the optimized conditions, the changes in the corresponding absorption intensities at above wavelengths were in proportion to c Fe 2+ or c Fe 3+ during respectively partitioned linear ranges, which realized to quantitatively detect Fe 2+ or Fe 3+ with a large linear range more than two orders of magnitude. A 1:1 complex mode for HNMAP-Fe 2+ and 1:2 for HNMAP-Fe 3+ were proposed from UV-vis spectral titration and Job's plot. HNMAP would be a potential sensor for colorimetric detection of Fe 2+ and Fe 3+ in practice. Copyright © 2018 Elsevier B.V. All rights reserved.

GOME-2A retrievals of tropospheric NO2 in different spectral ranges - influence of penetration depth

NASA Astrophysics Data System (ADS)

Behrens, Lisa K.; Hilboll, Andreas; Richter, Andreas; Peters, Enno; Eskes, Henk; Burrows, John P.

2018-05-01

In this study, we present a novel nitrogen dioxide (NO2) differential optical absorption spectroscopy (DOAS) retrieval in the ultraviolet (UV) spectral range for observations from the Global Ozone Monitoring Instrument 2 on board EUMETSAT's MetOp-A (GOME-2A) satellite. We compare the results to those from an established NO2 retrieval in the visible (vis) spectral range from the same instrument and investigate how differences between the two are linked to the NO2 vertical profile shape in the troposphere. As expected, radiative transfer calculations for satellite geometries show that the sensitivity close to the ground is higher in the vis than in the UV spectral range. Consequently, NO2 slant column densities (SCDs) in the vis are usually higher than in the UV if the NO2 is close to the surface. Therefore, these differences in NO2 SCDs between the two spectral ranges contain information on the vertical distribution of NO2 in the troposphere. We combine these results with radiative transfer calculations and simulated NO2 fields from the TM5-MP chemistry transport model to evaluate the simulated NO2 vertical distribution. We investigate regions representative of both anthropogenic and biomass burning NO2 pollution. Anthropogenic air pollution is mostly located in the boundary layer close to the surface, which is reflected by large differences between UV and vis SCDs of ˜ 60 %. Biomass burning NO2 in contrast is often uplifted into elevated layers above the boundary layer. This is best seen in tropical Africa south of the Equator, where the biomass burning NO2 is well observed in the UV, and the SCD difference between the two spectral ranges is only ˜ 36 %. In tropical Africa north of the Equator, however, the biomass burning NO2 is located closer to the ground, reducing its visibility in the UV. While not enabling a full retrieval of the vertical NO2 profile shape in the troposphere, our results can help to constrain the vertical profile of NO2 in the lower troposphere and, when analysed together with simulated NO2 fields, can help to better interpret the model output.

Solar Variability from 240 to 1750 nm in Terms of Faculae Brightening and Sunspot Darkening from SCIAMACHY

NASA Astrophysics Data System (ADS)

Pagaran, J.; Weber, M.; Burrows, J.

2009-08-01

The change of spectral decomposition of the total radiative output on various timescales of solar magnetic activity is of large interest to terrestrial and solar-stellar atmosphere studies. Starting in 2002, SCIAMACHY was the first satellite instrument to observe daily solar spectral irradiance (SSI) continuously from 230 nm (UV) to 1750 nm (near-infrared; near-IR). In order to address the question of how much UV, visible (vis), and IR spectral regions change on 27 day and 11 year timescales, we parameterize short-term SSI variations in terms of faculae brightening (Mg II index) and sunspot darkening (photometric sunspot index) proxies. Although spectral variations above 300 nm are below 1% and, therefore, well below the accuracy of absolute radiometric calibration, relative accuracy for short-term changes is shown to be in the per mill range. This enables us to derive short-term spectral irradiance variations from the UV to the near-IR. During Halloween solar storm in 2003 with a record high sunspot area, we observe a reduction of 0.3% in the near-IR to 0.5% in the vis and near-UV. This is consistent with a 0.4% reduction in total solar irradiance (TSI). Over an entire 11 year solar cycle, SSI variability covering simultaneously the UV, vis, and IR spectral regions have not been directly observed so far. Using variations of solar proxies over solar cycle 23, solar cycle spectral variations have been estimated using scaling factors that best matched short-term variations of SCIAMACHY. In the 300-400 nm region, which strongly contributes to TSI solar cycle change, a contribution of 34% is derived from SCIAMACHY observations, which is lower than the reported values from SUSIM satellite data and the empirical SATIRE model. The total UV contribution (below 400 nm) to TSI solar cycle variations is estimated to be 55%.

SOLAR VARIABILITY FROM 240 TO 1750 nm IN TERMS OF FACULAE BRIGHTENING AND SUNSPOT DARKENING FROM SCIAMACHY

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

Pagaran, J.; Weber, M.; Burrows, J.

2009-08-01

The change of spectral decomposition of the total radiative output on various timescales of solar magnetic activity is of large interest to terrestrial and solar-stellar atmosphere studies. Starting in 2002, SCIAMACHY was the first satellite instrument to observe daily solar spectral irradiance (SSI) continuously from 230 nm (UV) to 1750 nm (near-infrared; near-IR). In order to address the question of how much UV, visible (vis), and IR spectral regions change on 27 day and 11 year timescales, we parameterize short-term SSI variations in terms of faculae brightening (Mg II index) and sunspot darkening (photometric sunspot index) proxies. Although spectral variationsmore » above 300 nm are below 1% and, therefore, well below the accuracy of absolute radiometric calibration, relative accuracy for short-term changes is shown to be in the per mill range. This enables us to derive short-term spectral irradiance variations from the UV to the near-IR. During Halloween solar storm in 2003 with a record high sunspot area, we observe a reduction of 0.3% in the near-IR to 0.5% in the vis and near-UV. This is consistent with a 0.4% reduction in total solar irradiance (TSI). Over an entire 11 year solar cycle, SSI variability covering simultaneously the UV, vis, and IR spectral regions have not been directly observed so far. Using variations of solar proxies over solar cycle 23, solar cycle spectral variations have been estimated using scaling factors that best matched short-term variations of SCIAMACHY. In the 300-400 nm region, which strongly contributes to TSI solar cycle change, a contribution of 34% is derived from SCIAMACHY observations, which is lower than the reported values from SUSIM satellite data and the empirical SATIRE model. The total UV contribution (below 400 nm) to TSI solar cycle variations is estimated to be 55%.« less

Solar Spectral Irradiance Variations in 240 - 1600 nm During the Recent Solar Cycles 21 - 23

NASA Astrophysics Data System (ADS)

Pagaran, J.; Weber, M.; Deland, M. T.; Floyd, L. E.; Burrows, J. P.

2011-08-01

Regular solar spectral irradiance (SSI) observations from space that simultaneously cover the UV, visible (vis), and the near-IR (NIR) spectral region began with SCIAMACHY aboard ENVISAT in August 2002. Up to now, these direct observations cover less than a decade. In order for these SSI measurements to be useful in assessing the role of the Sun in climate change, records covering more than an eleven-year solar cycle are required. By using our recently developed empirical SCIA proxy model, we reconstruct daily SSI values over several decades by using solar proxies scaled to short-term SCIAMACHY solar irradiance observations to describe decadal irradiance changes. These calculations are compared to existing solar data: the UV data from SUSIM/UARS, from the DeLand & Cebula satellite composite, and the SIP model (S2K+VUV2002); and UV-vis-IR data from the NRLSSI and SATIRE models, and SIM/SORCE measurements. The mean SSI of the latter models show good agreement (less than 5%) in the vis regions over three decades while larger disagreements (10 - 20%) are found in the UV and IR regions. Between minima and maxima of Solar Cycles 21, 22, and 23, the inferred SSI variability from the SCIA proxy is intermediate between SATIRE and NRLSSI in the UV. While the DeLand & Cebula composite provide the highest variability between solar minimum and maximum, the SIP/Solar2000 and NRLSSI models show minimum variability, which may be due to the use of a single proxy in the modeling of the irradiances. In the vis-IR spectral region, the SCIA proxy model reports lower values in the changes from solar maximum to minimum, which may be attributed to overestimations of the sunspot proxy used in modeling the SCIAMACHY irradiances. The fairly short timeseries of SIM/SORCE shows a steeper decreasing (increasing) trend in the UV (vis) than the other data during the descending phase of Solar Cycle 23. Though considered to be only provisional, the opposite trend seen in the visible SIM data challenges the validity of proxy-based linear extrapolation commonly used in reconstructing past irradiances.

UV-Vis, infrared, and mass spectroscopy of electron irradiated frozen oxygen and carbon dioxide mixtures with water

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

Jones, Brant M.; Kaiser, Ralf I.; Strazzulla, Giovanni

2014-02-01

Ozone has been detected on the surface of Ganymede via observation of the Hartley band through the use of ultraviolet spectroscopy and is largely agreed upon to be formed by radiolytic processing via interaction of magnetospheric energetic ions and/or electrons with oxygen-bearing ices on Ganymede's surface. Interestingly, a clearly distinct band near 300 nm within the shoulder of the UV-Vis spectrum of Ganymede was also observed, but currently lacks an acceptable physical or chemical explanation. Consequently, the primary motivation behind this work was the collection of UV-Vis absorption spectroscopy of ozone formation by energetic electron bombardment of a variety ofmore » oxygen-bearing ices (oxygen, carbon dioxide, water) relevant to this moon as well as other solar system. Ozone was indeed synthesized in pure ices of molecular oxygen, carbon dioxide and a mixture of water and oxygen, in agreement with previous studies. The Hartley band of the ozone synthesized in these ice mixtures was observed in the UV-Vis spectra and compared with the spectrum of Ganymede. In addition, a solid state ozone absorption cross section of 6.0 ± 0.6 × 10{sup –17} cm{sup 2} molecule{sup –1} was obtained from the UV-Vis spectral data. Ozone was not produced in the irradiated carbon dioxide-water mixtures; however, a spectrally 'red' UV continuum is observed and appears to reproduce well what is observed in a large number of icy moons such as Europa.« less

Determination of geographical origin of alcoholic beverages using ultraviolet, visible and infrared spectroscopy: A review

NASA Astrophysics Data System (ADS)

Uríčková, Veronika; Sádecká, Jana

2015-09-01

The identification of the geographical origin of beverages is one of the most important issues in food chemistry. Spectroscopic methods provide a relative rapid and low cost alternative to traditional chemical composition or sensory analyses. This paper reviews the current state of development of ultraviolet (UV), visible (Vis), near infrared (NIR) and mid infrared (MIR) spectroscopic techniques combined with pattern recognition methods for determining geographical origin of both wines and distilled drinks. UV, Vis, and NIR spectra contain broad band(s) with weak spectral features limiting their discrimination ability. Despite this expected shortcoming, each of the three spectroscopic ranges (NIR, Vis/NIR and UV/Vis/NIR) provides average correct classification higher than 82%. Although average correct classification is similar for NIR and MIR regions, in some instances MIR data processing improves prediction. Advantage of using MIR is that MIR peaks are better defined and more easily assigned than NIR bands. In general, success in a classification depends on both spectral range and pattern recognition methods. The main problem still remains the construction of databanks needed for all of these methods.

Spectroscopic studies of anthracyclines: Structural characterization and in vitro tracking

NASA Astrophysics Data System (ADS)

Szafraniec, Ewelina; Majzner, Katarzyna; Farhane, Zeineb; Byrne, Hugh J.; Lukawska, Malgorzata; Oszczapowicz, Irena; Chlopicki, Stefan; Baranska, Malgorzata

2016-12-01

A broad spectroscopic characterization, using ultraviolet-visible (UV-vis) and Fourier transform infrared absorption as well as Raman scattering, of two commonly used anthracyclines antibiotics (DOX) daunorubicin (DNR), their epimers (EDOX, EDNR) and ten selected analogs is presented. The paper serves as a comprehensive spectral library of UV-vis, IR and Raman spectra of anthracyclines in the solid state and in solution. The particular advantage of Raman spectroscopy for the measurement and analysis of individual antibiotics is demonstrated. Raman spectroscopy can be used to monitor the in vitro uptake and distribution of the drug in cells, using both 488 nm and 785 nm as source wavelengths, with submicrometer spatial resolution, although the cellular accumulation of the drug is different in each case. The high information content of Raman spectra allows studies of the drug-cell interactions, and so the method seems very suitable for monitoring drug uptake and mechanisms of interaction with cellular compartments at the subcellular level.

Spectroscopic studies on the interaction of sodium benzoate, a food preservative, with calf thymus DNA.

PubMed

Zhang, Guowen; Ma, Yadi

2013-11-01

The interaction between sodium benzoate (SB) and calf thymus DNA in simulated physiological buffer (pH 7.4) using acridine orange (AO) dye as a fluorescence probe, was investigated by UV-Vis absorption, fluorescence and circular dichroism (CD) spectroscopy along with DNA melting studies and viscosity measurements. An expanded UV-Vis spectral data matrix was resolved by multivariate curve resolution-alternating least squares (MCR-ALS) approach. The equilibrium concentration profiles and the pure spectra for SB, DNA and DNA-SB complex from the high overlapping composite response were simultaneously obtained. The results indicated that SB could bind to DNA, and hydrophobic interactions and hydrogen bonds played a vital role in the binding process. Moreover, SB was able to quench the fluorescence of DNA-AO complex through a static procedure. The quenching observed was indicative of an intercalative mode of interaction between SB and DNA, which was supported by melting studies, viscosity measurements and CD analysis. Copyright © 2013 Elsevier Ltd. All rights reserved.

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%).

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.

Quantum chemical investigations on the molecular structure, FTIR, UV-Vis and HOMO-LUMO analysis of 15-16-epoxy-7b, 9a dihydroxylabdane 13(16), 14-dien-6-one

NASA Astrophysics Data System (ADS)

Uppal, Anshul; Pathania, Kamni; Khajuria, Yugal

2018-05-01

The structural, spectroscopic (Fourier Transform Infrared (FT-IR), Ultra-Violet Visible (UV-VIS)) and thermodynamic properties of 15, 16-epoxy-7b, 9a dihydroxylabdane-13(16), 14-dien-6-one were studied by using both experimental techniques and theoretical methods. The FTIR spectrum of the title compound was recorded in the spectral range 4000-400 cm-1. The UV-VIS spectrum was measured in the spectral range 190-800 nm. The quantum chemistry calculations have been performed to compute optimized geometry, molecular parameters, vibrational frequencies along with intensities using Hartree Fock (HF) theory and Density Functional Theory (DFT) with 6-31G basis set. The calculated HOMO-LUMO energies show that the charge transfer occurs within the molecule. The temperature dependence of the thermodynamic properties like heat capacity, entropy and enthalpy of the optimized structure were obtained. Finally, a comparison between the experimental data and the calculated results presented a good agreement.

Combination of UV-vis spectroscopy and chemometrics to understand protein-nanomaterial conjugate: a case study on human serum albumin and gold nanoparticles.

PubMed

Wang, Yong; Ni, Yongnian

2014-02-01

Study of the interactions between proteins and nanomaterials is of great importance for understanding of protein nanoconjugate. In this work, we choose human serum albumin (HSA) and citrate-capped gold nanoparticles (AuNPs) as a model of protein and nanomaterial, and combine UV-vis spectroscopy with multivariate curve resolution by an alternating least squares (MCR-ALS) algorithm to present a new and efficient method for comparatively comprehensive study of evolution of protein nanoconjugate. UV-vis spectroscopy coupled with MCR-ALS allows qualitative and quantitative extraction of the distribution diagrams, spectra and kinetic profiles of absorbing pure species (AuNPs and AuNPs-HSA conjugate are herein identified) and undetectable species (HSA) from spectral data. The response profiles recovered are converted into the desired thermodynamic, kinetic and structural parameters describing the protein nanoconjugate evolution. Analysis of these parameters for the system gives evidence that HSA molecules are very likely to be attached to AuNPs surface predominantly as a flat monolayer to form a stable AuNPs-HSA conjugate with a core-shell structure, and the binding process takes place mainly through electrostatic and hydrogen-bond interactions between the positively amino acid residues of HSA and the negatively carboxyl group of citrate on AuNPs surface. The results obtained are verified by transmission electron microscopy, zeta potential, circular dichroism spectroscopy and Fourier transform infrared spectroscopy, showing the potential of UV-vis spectroscopy for study of evolution of protein nanoconjugate. In parallel, concentration evolutions of pure species resolved by MCR-ALS are used to construct a sensitive spectroscopic biosensor for HSA with a linear range from 1.8 nM to 28.1 nM and a detection limit of 0.8 nM. © 2013 Published by Elsevier B.V.

Impact of vanadium ions in barium borate glass

NASA Astrophysics Data System (ADS)

Abdelghany, A. M.; Hammad, Ahmed H.

2015-02-01

Combined optical and infrared spectral measurements of prepared barium borate glasses containing different concentrations of V2O5 were carried out. Vanadium containing glasses exhibit extended UV-visible (UV/Vis.) bands when compared with base binary borate glass. UV/Vis. spectrum shows the presence of an unsymmetrical strong UV broad band centered at 214 nm attributed to the presence of unavoidable trace iron impurities within the raw materials used for the preparation of such glass. The calculated direct and indirect optical band gaps are found to decrease with increasing the vanadium content (2.9:137 for indirect and 3.99:2.01 for direct transition). This change was discussed in terms of structural changes in the glass network. Infrared absorption spectra of the glasses reveal the appearance of both triangular and tetrahedral borate units. Electron spin resonance analyses indicate the presence of unpaired species in sufficient quantity to be identified and to confirm the spectral data.

UV-Vis-NIR luminescence properties and energy transfer mechanism of LiSrPO4:Eu2+, Pr3+ suitable for solar spectral convertor.

PubMed

Chen, Yan; Wang, Jing; Liu, Chunmeng; Tang, Jinke; Kuang, Xiaojun; Wu, Mingmei; Su, Qiang

2013-02-11

An efficient near-infrared (NIR) phosphor LiSrPO(4):Eu(2+), Pr(3+) is synthesized by solid-state reaction and systematically investigated using x-ray diffraction, diffuse reflection spectrum, photoluminescence spectra at room temperature and 3 K, and the decay curves. The UV-Vis-NIR energy transfer mechanism is proposed based on these results. The results demonstrate Eu(2+) can be an efficient sensitizer for harvesting UV photon and greatly enhancing the NIR emission of Pr(3+) between 960 and 1060 nm through efficient energy feeding by allowed 4f-5d absorption of Eu(2+) with high oscillator strength. Eu(2+)/Pr(3+) may be an efficient donor-acceptor pair as solar spectral converter for Si solar cells.

In situ measurement of VUV/UV radiation from low-pressure microwave-produced plasma in Ar/O2 gas mixtures

NASA Astrophysics Data System (ADS)

Iglesias, E. J.; Mitschker, F.; Fiebrandt, M.; Bibinov, N.; Awakowicz, P.

2017-08-01

Ultraviolet (UV) and vacuum ultraviolet (VUV) spectral irradiance is determined in low-pressure microwave-produced plasma, which is regularly used for polymer surface treatment. The re-emitted fluorescence in the UV/VIS spectral range from a sodium salicylate layer is measured. This fluorescence is related to VUV/UV radiation in different spectral bands based on cut-off filters. The background produced by direct emitted radiation in the fluorescence spectral region is quantified using a specific background filter, thus enabling the use of the whole fluorescence spectral range. A novel procedure is applied to determine the absolute value of the VUV/UV irradiance on a substrate. For that, an independent measurement of the absolute spectral emissivity of the plasma in the UV is performed. The measured irradiances on a substrate from a 25 Pa Ar/O2-produced plasma are in the range of 1015-1016 (photon~ s-1 cm-2). These values include the contribution from impurities present in the discharge.

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.

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.

Science Objectives of EOS-Aura's Ozone Monitoring Instrument (OMI)

NASA Technical Reports Server (NTRS)

Levelt, P. F.; Veefkind, J. P.; Stammes, P.; Hilsenrath, E.; Bhartia, P. K.; Chance, K. V.; Leppelmeier, G. W.; Maelkki, A.; Bhartia, Pawan (Technical Monitor)

2002-01-01

OMI is a UV/VIS nadir solar backscatter spectrograph, which provides near global coverage in one day with a spatial resolution of 13 x 24 sq km. OMI is a new instrument, with a heritage from the European satellite instruments GOME, GOMOS and SCIAMACHY. OMI's unique capabilities for measuring important trace gases with a small footprint and daily global coverage, in conjunction with the other Aura instruments, will make a major contribution to our understanding of stratospheric and tropospheric chemistry and climate change. OMI will measure solar irradiance and Earth radiances in the wavelength range of 270 to 500 nm with spectral resolution of about 0.5 nm and a spectral sampling of about 2-3 per FWHM. From these observations, total columns of O3, NO2, BrO and SO2 will be derived from the back-scattered solar radiance using differential absorption spectroscopy (DOAS). The TOMS total ozone record will also be continued by employing the well established TOMS algorithm. Because of the high accuracy and spatial resolution of the measurements, a good estimate of tropospheric amounts of ozone and NO2 are expected. Ozone profiles will be derived using the optimal estimation method. The spectral aerosol optical depth will be determined from measurements between 340 and 500 nm. This will provide information on aerosol concentration, aerosol size distribution and aerosol type. This wavelength range makes it possible to retrieve aerosol information over both land and sea. OMI observations will also allow retrievals of cloud coverage and cloud heights. From these products, the UV-B flux at the surface can then be derived with high spatial resolution.

Multi-technique approach for qualitative and quantitative characterization of furazidin degradation kinetics under alkaline conditions.

PubMed

Bērziņš, Kārlis; Kons, Artis; Grante, Ilze; Dzabijeva, Diana; Nakurte, Ilva; Actiņš, Andris

2016-09-10

Degradation of drug furazidin was studied under different conditions of environmental pH (11-13) and temperature (30-60°C). The novel approach of hybrid hard- and soft-multivariate curve resolution-alternating least squares (HS-MCR-ALS) method was applied to UV-vis spectral data to determine a valid kinetic model and kinetic parameters of the degradation process. The system was found to be comprised of three main species and best characterized by two consecutive first-order reactions. Furazidin degradation rate was found to be highly dependent on the applied environmental conditions, showing more prominent differences between both degradation steps towards higher pH and temperature. Complimentary qualitative analysis of the degradation process was carried out using HPLC-DAD-TOF-MS. Based on the obtained chromatographic and mass spectrometric results, as well as additional computational analysis of the species (theoretical UV-vis spectra calculations utilizing TD-DFT methodology), the operating degradation mechanism was proposed to include formation of a 5-hydroxyfuran derivative, followed by complete hydrolysis of furazidin hydantoin ring. Copyright © 2016 Elsevier B.V. All rights reserved.

Impact of vanadium ions in barium borate glass.

PubMed

Abdelghany, A M; Hammad, Ahmed H

2015-02-25

Combined optical and infrared spectral measurements of prepared barium borate glasses containing different concentrations of V2O5 were carried out. Vanadium containing glasses exhibit extended UV-visible (UV/Vis.) bands when compared with base binary borate glass. UV/Vis. spectrum shows the presence of an unsymmetrical strong UV broad band centered at 214 nm attributed to the presence of unavoidable trace iron impurities within the raw materials used for the preparation of such glass. The calculated direct and indirect optical band gaps are found to decrease with increasing the vanadium content (2.9:137 for indirect and 3.99:2.01 for direct transition). This change was discussed in terms of structural changes in the glass network. Infrared absorption spectra of the glasses reveal the appearance of both triangular and tetrahedral borate units. Electron spin resonance analyses indicate the presence of unpaired species in sufficient quantity to be identified and to confirm the spectral data. Copyright © 2014 Elsevier B.V. All rights reserved.

Growth, structural, optical, thermal and mechanical properties of ammonium pentaborate single crystal.

PubMed

Balakrishnan, T; Bhagavannarayana, G; Ramamurthi, K

2008-11-15

Nonlinear optical single crystals of ammonium pentaborate (APB) were grown by the slow cooling method from aqueous solution. Grown crystal was characterized by powder X-ray diffraction (PXRD) and FT-IR spectral analysis. Perfection of the grown crystal was evaluated by high-resolution X-ray diffractometry (HRXRD). The effect of nylon threading on the perfection of the grown bigger crystal was also studied by HRXRD. The range and percentage of optical transmission was ascertained by recording UV-vis-NIR spectrum. Thermal properties were investigated by TG-DTA and DSC analyses. Its mechanical hardness was estimated by Vickers microhardness tester.

ALTIUS: a spaceborne AOTF-based UV-VIS-NIR hyperspectral imager for atmospheric remote sensing

NASA Astrophysics Data System (ADS)

Dekemper, Emmanuel; Fussen, Didier; Van Opstal, Bert; Vanhamel, Jurgen; Pieroux, Didier; Vanhellemont, Filip; Mateshvili, Nina; Franssens, Ghislain; Voloshinov, Vitaly; Janssen, Christof; Elandaloussi, Hadj

2014-10-01

Since the recent losses of several atmospheric instruments with good vertical sampling capabilities (SAGE II, SAGE III, GOMOS, SCIAMACHY,. . . ), the scientific community is left with very few sounders delivering concentration pro les of key atmospheric species for understanding atmospheric processes and monitoring the radiative balance of the Earth. The situation is so critical that at the horizon 2020, less than five such instruments will be on duty (most probably only 2 or 3), whereas their number topped at more than 15 in the years 2000. In parallel, recent inter-comparison exercises among the climate chemistry models (CCM) and instrument datasets have shown large differences in vertical distribution of constituents (SPARC CCMVal and Data Initiative), stressing the need for more vertically-resolved and accurate data at all latitudes. In this frame, the Belgian Institute for Space Aeronomy (IASB-BIRA) proposed a gap-filler small mission called ALTIUS (Atmospheric Limb Tracker for the Investigation of the Upcoming Stratosphere), which is currently in preliminary design phase (phase B according to ESA standards). Taking advantage of the good performances of the PROBA platform (PRoject for On-Board Autonomy) in terms of pointing precision and accuracy, on-board processing ressources, and agility, the ALTIUS concept relies on a hyperspectral imager observing limb-scattered radiance and solar/stellar occultations every orbit. The objective is twofold: the imaging feature allows to better assess the tangent height of the sounded air masses (through easier star tracker information validation by scene details recognition), while its spectral capabilities will be good enough to exploit the characteristic signatures of many molecular absorption cross-sections (O3, NO2, CH4, H2O, aerosols,...). The payload will be divided in three independent optical channels, associated to separated spectral ranges (UV: 250- 450 nm, VIS: 440-800 nm, NIR: 900-1800 nm). This approach also offers better risk mitigation in case of failure in one channel. In each channel, the spectral filter will be an acousto-optical tunable filter (AOTF). Such devices offer reasonable étendue with good spectral resolution and excellent robustness and compactness. TeO2-based AOTF's have already been used in space missions towards Mars and Venus (MEX and VEX, ESA). While such TeO2 crystals are common in VIS-NIR applications, they are not transparent below 350 nm. Recent progress towards UV AOTF's have been made with the advent of KDP-based filters. Through collaboration with the Moscow State University (MSU), several experiments were conducted on a KDP AOTF and gave confidence on this material. Here, we present the general concept of ALTIUS and its optical design with particular attention on the AOTF. Several results obtained with optical breadboards for the UV and VIS ranges will be exposed, such as the O3 and NO2 absorption cross-section measurements, or spectral images. These results illustrate the spectral and optical performances to be expected from an AOTF-based hyperspectral imager. Their implications for ALTIUS will be discussed

Organic conjugated small molecule materials based optical probe for rapid, colorimetric and UV-vis spectral detection of phosphorylated protein in placental tissue

NASA Astrophysics Data System (ADS)

Wang, Yanfang; Yang, Na; Liu, Yi

2018-04-01

A novel organic small molecule with D-Pi-A structure was prepared, which was found to be a promising colorimetric and ratiometric UV-vis spetral probe for detection of phosphorylated proteins with the help of tetravalent zirconium ion. Such optical probe based on chromophore WYF-1 shows a rapid response (within 10 s) and high selectivity and sensitivity for phosphorylated proteins, giving distinct colorimetric and ratiometric UV-vis changes at 720 and 560 nm. The detection limit for phosphorylated proteins was estimated to be 100 nM. In addition, detection of phosphorylated proteins in placental tissue samples with this probe was successfully applied, which indicates that this probe holds great potential for phosphorylated proteins detection.

Synthesis and spectral studies of heterocyclic azo dye complexes with some transition metals

NASA Astrophysics Data System (ADS)

Jarad, A. J.; Majeed, I. Y.; Hussein, A. O.

2018-05-01

6-(2-benzathiazolyl azo) -3,5-dimethylphenol was formed by grouping the 2-benzothiazole diazonium chloride with 3,5-dimethylphenol. Azo ligand(L) was resolved on the origin by 1H and 13CNMR, FTIR and UV-Vis spectral analysis. Complexation of tridentate ligand (L) with Co2+, Ni2+, Cu2+ and Zn2+ in aqueous of ethyl alcohol with a 1:2 metal:ligand, and at ideal pH.. The formation of metal chelates are assigned using flame atomic absorption, FTIR and UV-Vis spectral analysis, other than conductivity and magnetic estates. The nature of the metal chelates were carried out by mole ratio and continuous variation mechanism, Beer’s law followed the rate (0.0001 - 3×0.0001 M) concentration. High molar absorptivity for the complex solutions were observed. On the origin data an octahedral geometry were described for the metal chelates. Biological activity of the ready compounds were assayed.

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

Synthesis, characterization, crystal structure and DNA-binding studies of transition metal hydrazone complexes

NASA Astrophysics Data System (ADS)

Kanchanadevi, S.; Parveen, S.; Mahalingam, V.

2018-04-01

Three new complexes containing salicylaldazine (HL) ligand were synthesised by reacting suitable precursor complex [MCl2(PPh3)2] with the ligand (where M = Cu(II) or Ni(II) or Co(II)). The new complexes were characterised by various spectral studies such as IR, UV-Vis,1H NMR,EPR,fluorescence and elemental analyses. The binding modes of the complexes with HS-DNA have been studied by UV-Vis absorption titration. Binding of the complexes with bovine serum albumin (BSA) protein has been investigated using UV-visible, fluorescence and synchronous fluorescence spectroscopic methods. Redox behaviour of the complexes has been investigated by cyclic voltammetry.

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.

Organic conjugated small molecule materials based optical probe for rapid, colorimetric and UV-vis spectral detection of phosphorylated protein in placental tissue.

PubMed

Wang, Yanfang; Yang, Na; Liu, Yi

2018-04-05

A novel organic small molecule with D-Pi-A structure was prepared, which was found to be a promising colorimetric and ratiometric UV-vis spetral probe for detection of phosphorylated proteins with the help of tetravalent zirconium ion. Such optical probe based on chromophore WYF-1 shows a rapid response (within 10s) and high selectivity and sensitivity for phosphorylated proteins, giving distinct colorimetric and ratiometric UV-vis changes at 720 and 560nm. The detection limit for phosphorylated proteins was estimated to be 100nM. In addition, detection of phosphorylated proteins in placental tissue samples with this probe was successfully applied, which indicates that this probe holds great potential for phosphorylated proteins detection. Copyright © 2018 Elsevier B.V. All rights reserved.

Solvent and structural effects on the spectral shifts of 5-(substituted phenylazo)-3-cyano-6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-pyridones

NASA Astrophysics Data System (ADS)

Mirković, Jelena M.; Božić, Bojan Đ.; Mutavdžić, Dragosav R.; Ušćumlić, Gordana S.; Mijin, Dušan Ž.

2014-11-01

Spectral properties, solvatochromism and azo-hydrazone tautomerism of ten 5-(substituted phenylazo)-3-cyano-6-hydroxy-1-(2-hydroxyethyl)-4-methyl-2-pyridones in twenty-two solvents are investigated. For quantitative evaluation of the solvent effects on the UV-vis absorption maxima, the principles of the linear solvation energy relationships are used, i.e. models proposed by Kamlet-Taft and Catalán. Linear free energy relationships are applied to the UV-vis absorption spectra and correlation of absorption frequencies with Hammett substituent constants are performed. Furthermore, the influence of the electronic nature of the substituents on 1H and 13C NMR shifts is investigated by simple and extended Hammett equations, as well as by Swain-Lupton equation.

Free radicals induced by sunlight in different spectral regions - in vivo versus ex vivo study.

PubMed

Lohan, Silke B; Müller, Robert; Albrecht, Stephanie; Mink, Kathrin; Tscherch, Kathrin; Ismaeel, Fakher; Lademann, Jürgen; Rohn, Sascha; Meinke, Martina C

2016-05-01

Sunlight represents an exogenous factor stimulating formation of free radicals which can induce cell damage. To assess the effect of the different spectral solar regions on the development of free radicals in skin, in vivo electron paramagnetic resonance (EPR) investigations with human volunteers and ex vivo studies on excised human and porcine skin were carried out. For all skin probes, the ultraviolet (UV) spectral region stimulates the most intensive radical formation, followed by the visible (VIS) and the near infrared (NIR) regions. A comparison between the different skin models shows that for UV light, the fastest and highest production of free radicals could be detected in vivo, followed by excised porcine and human skin. The same distribution pattern was found for the VIS/NIR spectral regions, whereby the differences in radical formation between in vivo and ex vivo were less pronounced. An analysis of lipid composition in vivo before and after exposure to UV light clearly showed modifications in several skin lipid components; a decrease of ceramide subclass [AP2] and an increase of ceramide subclass [NP2], sodium cholesterol sulphate and squalene (SQ) were detectable. In contrast, VIS/NIR irradiation led to an increase of ceramides [AP2] and SCS, and a decrease of SQ. These results, which are largely comparable for the different skin models investigated in vivo and ex vivo, indicate that radiation exposure in different spectral regions strongly influences radical production in skin and also results in changes in skin lipid composition, which is essential for barrier function. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

TROPOMI, the Sentinel 5 precursor instrument for air quality and climate observations: status of the current design

NASA Astrophysics Data System (ADS)

Voors, Robert; de Vries, Johan; Bhatti, Ianjit S.; Lobb, Dan; Wood, Trevor; van der Valk, Nick; Aben, Ilse; Veefkind, Pepijn

2017-11-01

TROPOMI, the Tropospheric Monitoring Instrument, is a passive UV-VIS-NIR-SWIR trace gas spectrograph in the line of SCIAMACHY (2002) and OMI (2004), instruments with the Netherlands in a leading role. Both instruments are very successful and remained operational long after their nominal life time. TROPOMI is the next step, scheduled for launch in 2015. It combines the broad wavelength range from SCIAMACHY from UV to SWIR and the broad viewing angle push-broom concept from OMI, which makes daily global coverage in combination with good spatial resolution possible. Using spectral bands from 270-500nm (UV-VIS) 675-775nm (NIR) and 2305-2385nm (SWIR) at moderate resolution (0.25 to 0.6nm) TROPOMI will measure O3, NO2, SO2, BrO, HCHO and H2O tropospheric columns from the UV-VIS-NIR wavelength range and CO and CH4 tropospheric columns from the SWIR wavelength range. Cloud information will be derived primarily from the O2A band in the NIR. This will help, together with the aerosol information, in constraining the light path of backscattered solar radiation. Methane (CH4), CO2 and Carbon monoxide (CO) are the key gases of the global carbon cycle. Of these, Methane is by far the least understood in terms of its sources and is most difficult to predict its future trend. Global space observations are needed to inform atmospheric models. The SWIR channel of TROPOMI is designed to achieve the spectral, spatial and SNR resolution required for this task. TROPOMI will yield an improved accuracy of the tropospheric products compared to the instruments currently in orbit. TROPOMI will take a major step forward in spatial resolution and sensitivity. The nominal observations are at 7 x 7 km2 at nadir and the signal-to-noises are sufficient for trace gas retrieval even at very low albedos (down to 2%). This spatial resolution allows observation of air quality at sub-city level and the high signal-to-noises means that the instrument can perform useful measurements in the darkest conditions. TROPOMI is currently in its detailed design phase. This paper gives an overview of the challenges and current performances. From unit level engineering models first results are becoming available. Early results are promising and this paper discusses some of these early H/W results. TROPOMI is the single payload on the Sentinel-5 precursor mission which is a joint initiative of the European Community (EC) and of the European Space Agency (ESA). The 2015 launch intends to bridge the data stream from OMI / SCIAMACHY and the upcoming Sentinel 5 mission. The instrument is funded jointly by the Netherlands Space Office and by ESA. Dutch Space is the instrument prime contractor. SSTL in the UK is developing the SWIR module with a significant contribution from SRON. Dutch Space and TNO are working as an integrated team for the UVN module. KNMI and SRON are responsible for ensuring the scientific capabilities of the instrument.

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.

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.

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.

Spectral downshifting in MBO3:Nd3+ (M=Y, La) phosphor

NASA Astrophysics Data System (ADS)

Omanwar, S. K.; Sawala, N. S.

2017-11-01

The spectral downshifting (DS) from ultra-violet (UV)/visible (VIS) light to near infra-red (NIR) radiation in Nd3+ doped YBO3 and LaBO3 phosphors is reported. The prepared materials were characterized by X-ray powder diffraction (XRD) and photoluminescence (PL) properties along with time-decay curves were studied which confirmed the spectral DS from VIS to NIR radiation. This can be employed to overcome the spectral mismatch of crystalline silicon (c-Si) solar cell with solar spectrum. The prepared Nd3+ doped as prepared phosphors provide NIR emission (1052 nm) at excitation of 586 nm where response of c-Si solar cell was optimum. Thus spectral modification by mentioned phosphor can be utilized to improve solar cells performance. Hence these phosphors have potential application for photovoltaic (PV) technology.

Upgrade of a UV-VIS-NIR imaging spectrometer for the coastal ocean observation: concept, design, fabrication, and test of prototype.

PubMed

Yu, Lei

2017-06-26

A novel UV-VIS-NIR imaging spectrometer prototype has been presented for the remote sensing of the coastal ocean by air. The concept is proposed for the needs of the observation. An advanced design has been demonstrated based on the Dyson spectrometer in details. The analysis and tests present excellent optical performances in the spectral broadband, easy and low cost fabrication and alignment, low inherent stray light, and high signal to noise ratio. The research provides an easy method for the coastal ocean observation.

Can we match ultraviolet face images against their visible counterparts?

NASA Astrophysics Data System (ADS)

Narang, Neeru; Bourlai, Thirimachos; Hornak, Lawrence A.

2015-05-01

In law enforcement and security applications, the acquisition of face images is critical in producing key trace evidence for the successful identification of potential threats. However, face recognition (FR) for face images captured using different camera sensors, and under variable illumination conditions, and expressions is very challenging. In this paper, we investigate the advantages and limitations of the heterogeneous problem of matching ultra violet (from 100 nm to 400 nm in wavelength) or UV, face images against their visible (VIS) counterparts, when all face images are captured under controlled conditions. The contributions of our work are three-fold; (i) We used a camera sensor designed with the capability to acquire UV images at short-ranges, and generated a dual-band (VIS and UV) database that is composed of multiple, full frontal, face images of 50 subjects. Two sessions were collected that span over the period of 2 months. (ii) For each dataset, we determined which set of face image pre-processing algorithms are more suitable for face matching, and, finally, (iii) we determined which FR algorithm better matches cross-band face images, resulting in high rank-1 identification rates. Experimental results show that our cross spectral matching (the heterogeneous problem, where gallery and probe sets consist of face images acquired in different spectral bands) algorithms achieve sufficient identification performance. However, we also conclude that the problem under study, is very challenging, and it requires further investigation to address real-world law enforcement or military applications. To the best of our knowledge, this is first time in the open literature the problem of cross-spectral matching of UV against VIS band face images is being investigated.

Characterization of cytochrome c as marker for retinal cell degeneration by uv/vis spectroscopic imaging

NASA Astrophysics Data System (ADS)

Hollmach, Julia; Schweizer, Julia; Steiner, Gerald; Knels, Lilla; Funk, Richard H. W.; Thalheim, Silko; Koch, Edmund

2011-07-01

Retinal diseases like age-related macular degeneration have become an important cause of visual loss depending on increasing life expectancy and lifestyle habits. Due to the fact that no satisfying treatment exists, early diagnosis and prevention are the only possibilities to stop the degeneration. The protein cytochrome c (cyt c) is a suitable marker for degeneration processes and apoptosis because it is a part of the respiratory chain and involved in the apoptotic pathway. The determination of the local distribution and oxidative state of cyt c in living cells allows the characterization of cell degeneration processes. Since cyt c exhibits characteristic absorption bands between 400 and 650 nm wavelength, uv/vis in situ spectroscopic imaging was used for its characterization in retinal ganglion cells. The large amount of data, consisting of spatial and spectral information, was processed by multivariate data analysis. The challenge consists in the identification of the molecular information of cyt c. Baseline correction, principle component analysis (PCA) and cluster analysis (CA) were performed in order to identify cyt c within the spectral dataset. The combination of PCA and CA reveals cyt c and its oxidative state. The results demonstrate that uv/vis spectroscopic imaging in conjunction with sophisticated multivariate methods is a suitable tool to characterize cyt c under in situ conditions.

Biosynthesis of ZnO nanoparticles using rambutan (Nephelium lappaceumL.) peel extract and their photocatalytic activity on methyl orange dye

NASA Astrophysics Data System (ADS)

Karnan, Thenmozhi; Selvakumar, Stanly Arul Samuel

2016-12-01

In the present study, describes the synthesis of ZnO nanoparticles from rambutan (Nephelium lappaceumL.) peel extract via bio synthesis method and developed a new low cost technology to prepare ZnO nanoparticles. During the synthesis, fruit peel extract act as a natural ligation agent. The successfully prepared product was analyzed with some standard characterization studies like X-Ray Diffraction (XRD), UV-VIS Diffuse reflectance spectra (UV-Vis DRS), Field Emission Scanning Electron Microscope (FESEM), High resolution transmittance electron microscope (HR-TEM), N2 adsorption-desorption isotherm and UV-Vis absorption Spectroscopy. The photocatalytic activity of ZnO nanoparticles was evaluated by photodegradation of methyl orange (MO) dye under UV light and the result depicts around 83.99% decolorisation efficiency at 120 min of illumination. In addition with photodecolorisation, mineralization was also achieved. The mineralization has been confirmed by measuring Chemical Oxygen Demand (COD) values.

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.

A study of aerosol absorption and height retrievals with a hyperspectral (UV to NIR) passive sensor

NASA Astrophysics Data System (ADS)

Gasso, S.

2017-12-01

With the deployment of the first sensor (TOMS, in 1978) with capabilities to detect aerosol absorption (AA) from space, there has been a continuous evolution in hardware and algorithms used to measured this property. Although with TOMS and its more advanced successors (such as OMI) made significant progress in globally characterizing AA , there is room for improvement especially by taking advantage of sensors with extended spectral coverage (UV to NIR) and high spatial resolution (<1 km). While such unique sensor does not exist yet, the collocation of observations from different platforms that jointly fulfill those characteristics (e.g. A-Train, S-NPP) confirm that it is possible to fully retrieve all AA parameters that modulate absorption in the upwelling radiance (AOD, SSA and aerosol layer height). However, such combined approaches still have some drawbacks such as the difficulty to account for cloud contamination. The upcoming deployment of satellite detectors with the desired features all in one sensor (PACE, TropOMI, GEMS) prompt a revision of the AA retrieval technique used in past approaches. In particular,the TropOMI mission, a hyperspectral UV-to-NIR sensor with moderate ( 5km nadir pixel) spatial resolution to be launched in Fall 2017. In addition , the sensor will include sensing capabilities for the wavelength range of the Oxygen bands A and B at very high wavelength resolution. This study will be centered on the aerosol detection capabilities of TropOMI. Because the spectral range covered, it is theoretically possible to simultaneously retrieve the aerosol optical depth, the single scattering albedo and aerosol mean height without assuming any of them as it was the case with previous retrieval approaches. Specifically, we intend to present a theoretical study based on simulated radiances at selected UV, VIS and near-IR bands (including the Oxygen bands) and evaluate the sensitivity of this sensor to different levels of aerosol concentration, height and absorption properties (imaginary index) along with particle size distribution.

Multicomponent quantitative spectroscopic analysis without reference substances based on ICA modelling.

PubMed

Monakhova, Yulia B; Mushtakova, Svetlana P

2017-05-01

A fast and reliable spectroscopic method for multicomponent quantitative analysis of targeted compounds with overlapping signals in complex mixtures has been established. The innovative analytical approach is based on the preliminary chemometric extraction of qualitative and quantitative information from UV-vis and IR spectral profiles of a calibration system using independent component analysis (ICA). Using this quantitative model and ICA resolution results of spectral profiling of "unknown" model mixtures, the absolute analyte concentrations in multicomponent mixtures and authentic samples were then calculated without reference solutions. Good recoveries generally between 95% and 105% were obtained. The method can be applied to any spectroscopic data that obey the Beer-Lambert-Bouguer law. The proposed method was tested on analysis of vitamins and caffeine in energy drinks and aromatic hydrocarbons in motor fuel with 10% error. The results demonstrated that the proposed method is a promising tool for rapid simultaneous multicomponent analysis in the case of spectral overlap and the absence/inaccessibility of reference materials.

UV scale calibration transfer from an improved pyroelectric detector standard to field UV-A meters and 365 nm excitation sources

NASA Astrophysics Data System (ADS)

Eppeldauer, G. P.; Podobedov, V. B.; Cooksey, C. C.

2017-05-01

Calibration of the emitted radiation from UV sources peaking at 365 nm, is necessary to perform the ASTM required 1 mW/cm2 minimum irradiance in certain military material (ships, airplanes etc) tests. These UV "black lights" are applied for crack-recognition using fluorescent liquid penetrant inspection. At present, these nondestructive tests are performed using Hg-lamps. Lack of a proper standard and the different spectral responsivities of the available UV meters cause significant measurement errors even if the same UV-365 source is measured. A pyroelectric radiometer standard with spectrally flat (constant) response in the UV-VIS range has been developed to solve the problem. The response curve of this standard determined from spectral reflectance measurement, is converted into spectral irradiance responsivity with <0.5% (k=2) uncertainty as a result of using an absolute tie point from a Si-trap detector traceable to the primary standard cryogenic radiometer. The flat pyroelectric radiometer standard can be used to perform uniform integrated irradiance measurements from all kinds of UV sources (with different peaks and distributions) without using any source standard. Using this broadband calibration method, yearly spectral calibrations for the reference UV (LED) sources and irradiance meters is not needed. Field UV sources and meters can be calibrated against the pyroelectric radiometer standard for broadband (integrated) irradiance and integrated responsivity. Using the broadband measurement procedure, the UV measurements give uniform results with significantly decreased uncertainties.

The effect of the water on the curcumin tautomerism: A quantitative approach

NASA Astrophysics Data System (ADS)

Manolova, Yana; Deneva, Vera; Antonov, Liudmil; Drakalska, Elena; Momekova, Denitsa; Lambov, Nikolay

2014-11-01

The tautomerism of curcumin has been investigated in ethanol/water binary mixtures by using UV-Vis spectroscopy and advanced quantum-chemical calculations. The spectral changes were processed by using advanced chemometric procedure, based on resolution of overlapping bands technique. As a result, molar fractions of the tautomers and their individual spectra have been estimated. It has been shown that in ethanol the enol-keto tautomer only is presented. The addition of water leads to appearance of a new spectral band, which was assigned to the diketo tautomeric form. The results show that in 90% water/10% ethanol the diketo form is dominating. The observed shift in the equilibrium is explained by the quantum chemical calculations, which show that water molecules stabilize diketo tautomer through formation of stable complexes. To our best knowledge we report for the first time quantitative data for the tautomerism of curcumin and the effect of the water.

Fuzzy clustering evaluation of the discrimination power of UV-Vis and (±) ESI-MS detection system in individual or coupled RPLC for characterization of Ginkgo Biloba standardized extracts.

PubMed

Medvedovici, Andrei; Albu, Florin; Naşcu-Briciu, Rodica Domnica; Sârbu, Costel

2014-02-01

Discrimination power evaluation of UV-Vis and (±) electrospray ionization/mass spectrometric techniques, (ESI-MS) individually considered or coupled as detectors to reversed phase liquid chromatography (RPLC) in the characterization of Ginkgo Biloba standardized extracts, is used in herbal medicines and/or dietary supplements with the help of Fuzzy hierarchical clustering (FHC). Seventeen batches of Ginkgo Biloba commercially available standardized extracts from seven manufacturers were measured during experiments. All extracts were within the criteria of the official monograph dedicated to dried refined and quantified Ginkgo extracts, in the European Pharmacopoeia. UV-Vis and (±) ESI-MS spectra of the bulk standardized extracts in methanol were acquired. Additionally, an RPLC separation based on a simple gradient elution profile was applied to the standardized extracts. Detection was made through monitoring UV absorption at 220 nm wavelength or the total ion current (TIC) produced through (±) ESI-MS analysis. FHC was applied to raw, centered and scaled data sets, for evaluating the discrimination power of the method with respect to the origins of the extracts and to the batch to batch variability. The discrimination power increases with the increase of the intrinsic selectivity of the spectral technique being used: UV-Vis

Binding assessment of two arachidonic-based synthetic derivatives of adrenalin with β-lactoglobulin: Molecular modeling and chemometrics approach.

PubMed

Gholami, S; Bordbar, A K; Akvan, N; Parastar, H; Fani, N; Gretskaya, N M; Bezuglov, V V; Haertlé, T

2015-12-01

A computational approach to predict the main binding modes of two adrenalin derivatives, arachidonoyl adrenalin (AA-AD) and arachidonoyl noradrenalin (AA-NOR) with the β-lactoglubuline (BLG) as a nano-milk protein carrier is presented and assessed by comparison to the UV-Vis absorption spectroscopic data using chemometric analysis. Analysis of the spectral data matrices by using the multivariate curve resolution-alternating least squares (MCR-ALS) algorithm led to the pure concentration calculation and spectral profiles resolution of the chemical constituents and the apparent equilibrium constants computation. The negative values of entropy and enthalpy changes for both compound indicated the essential role of hydrogen bonding and van der Waals interactions as main driving forces in stabilizing protein-ligand complex. Computational studies predicted that both derivatives are situated in the calyx pose and remained in that pose during the whole time of simulation with no any significant protein structural changes which pointed that the BLG could be considered as a suitable carrier for these catecholamine compounds. Copyright © 2015 Elsevier B.V. All rights reserved.

Novel mixed ligand complexes of bioactive Schiff base (E)-4-(phenyl (phenylimino) methyl) benzene-1,3-diol and 2-aminophenol/2-aminobenzoic acid: Synthesis, spectral characterization, antimicrobial and nuclease studies

NASA Astrophysics Data System (ADS)

Subbaraj, P.; Ramu, A.; Raman, N.; Dharmaraja, J.

2014-01-01

A novel bidentate Schiff base ligand has been synthesized using 2,4-dihydroxybenzophenone and aniline. Its mixed ligand complexes of MAB type [M = Mn(II), Co(II), Ni(II), Cu(II) and Zn(II); HA = Schiff base and B = 2-aminophenol/2-aminobenzoic acid] have been synthesized and characterized on the basis of spectral data UV-Vis, IR, 1H NMR, FAB-Mass, EPR, SEM and magnetic studies. All the complexes were soluble in DMF and DMSO. Elemental analysis and molar conductance values indicate that the complexes are non-electrolytes. HA binds with M(II) ions through azomethine and deprotonated phenolic group and B binds through the primary amine group and deprotonated phenolic/carboxylic groups. Using FAB-Mass the cleavage pattern of the ligand (HA) has been established. All the complexes adopt octahedral geometry around the metal ions. It has been confirmed with the help of UV-Vis, IR, 1H NMR and FAB-Mass spectral data. DNA binding activities of the complexes 1d and 2d are studied by UV-Vis spectroscopy and cleavage studies of Schiff base ligand and its complexes 1d and 2d have been by agarose gel electrophoresis method. In vitro biological activities of the free ligand (HA) and their metal complexes (1a-1e and 2a-2e) were screened against few bacteria, Escherichia coli, Staphylococcus saphyphiticus, Staphylococcus aureus, Pseudomonas aeruginosa and fungi Aspergillus niger, Enterobacter species, Candida albicans by well diffusion technique.

Determination of polyphenolic compounds of red wines by UV-VIS-NIR spectroscopy and chemometrics tools.

PubMed

Martelo-Vidal, M J; Vázquez, M

2014-09-01

Spectral analysis is a quick and non-destructive method to analyse wine. In this work, trans-resveratrol, oenin, malvin, catechin, epicatechin, quercetin and syringic acid were determined in commercial red wines from DO Rías Baixas and DO Ribeira Sacra (Spain) by UV-VIS-NIR spectroscopy. Calibration models were developed using principal component regression (PCR) or partial least squares (PLS) regression. HPLC was used as reference method. The results showed that reliable PLS models were obtained to quantify all polyphenols for Rías Baixas wines. For Ribeira Sacra, feasible models were obtained to determine quercetin, epicatechin, oenin and syringic acid. PCR calibration models showed worst reliable of prediction than PLS models. For red wines from mencía grapes, feasible models were obtained for catechin and oenin, regardless the geographical origin. The results obtained demonstrate that UV-VIS-NIR spectroscopy can be used to determine individual polyphenolic compounds in red wines. Copyright © 2014 Elsevier Ltd. All rights reserved.

A new on-axis micro-spectrophotometer for combining Raman, fluorescence and UV/Vis absorption spectroscopy with macromolecular crystallography at the Swiss Light Source

PubMed Central

Pompidor, Guillaume; Dworkowski, Florian S. N.; Thominet, Vincent; Schulze-Briese, Clemens; Fuchs, Martin R.

2013-01-01

The combination of X-ray diffraction experiments with optical methods such as Raman, UV/Vis absorption and fluorescence spectroscopy greatly enhances and complements the specificity of the obtained information. The upgraded version of the in situ on-axis micro-spectrophotometer, MS2, at the macromolecular crystallography beamline X10SA of the Swiss Light Source is presented. The instrument newly supports Raman and resonance Raman spectroscopy, in addition to the previously available UV/Vis absorption and fluorescence modes. With the recent upgrades of the spectral bandwidth, instrument stability, detection efficiency and control software, the application range of the instrument and its ease of operation were greatly improved. Its on-axis geometry with collinear X-ray and optical axes to ensure optimal control of the overlap of sample volumes probed by each technique is still unique amongst comparable facilities worldwide and the instrument has now been in general user operation for over two years. PMID:23955041

A new on-axis micro-spectrophotometer for combining Raman, fluorescence and UV/Vis absorption spectroscopy with macromolecular crystallography at the Swiss Light Source.

PubMed

Pompidor, Guillaume; Dworkowski, Florian S N; Thominet, Vincent; Schulze-Briese, Clemens; Fuchs, Martin R

2013-09-01

The combination of X-ray diffraction experiments with optical methods such as Raman, UV/Vis absorption and fluorescence spectroscopy greatly enhances and complements the specificity of the obtained information. The upgraded version of the in situ on-axis micro-spectrophotometer, MS2, at the macromolecular crystallography beamline X10SA of the Swiss Light Source is presented. The instrument newly supports Raman and resonance Raman spectroscopy, in addition to the previously available UV/Vis absorption and fluorescence modes. With the recent upgrades of the spectral bandwidth, instrument stability, detection efficiency and control software, the application range of the instrument and its ease of operation were greatly improved. Its on-axis geometry with collinear X-ray and optical axes to ensure optimal control of the overlap of sample volumes probed by each technique is still unique amongst comparable facilities worldwide and the instrument has now been in general user operation for over two years.

40 CFR 796.1050 - Absorption in aqueous solution: Ultraviolet/visible spectra.

Code of Federal Regulations, 2011 CFR

2011-07-01

....50 λ in nm 235 257 313 350 (2) Fluoranthene (in methanol) from C.R.C. Atlas of Spectral Data...-nitrophenol (in methanol) from C.R.C. Atlas of Spectral Data, paragraph (d)(3) of this section: log ε 3.88 4... to obtain the UV-VIS spectrum of the test compound. Such an instrument should have a photometric...

Soil Organic Carbon Estimation and Mapping Using "on-the-go" VisNIR Spectroscopy

NASA Astrophysics Data System (ADS)

Brown, D. J.; Bricklemyer, R. S.; Christy, C.

2007-12-01

Soil organic carbon (SOC) and other soil properties related to carbon sequestration (eg. soil clay content and mineralogy) vary spatially across landscapes. To cost effectively capture this variability, new technologies, such as Visible and Near Infrared (VisNIR) spectroscopy, have been applied to soils for rapid, accurate, and inexpensive estimation of SOC and other soil properties. For this study, we evaluated an "on the go" VisNIR sensor developed by Veris Technologies, Inc. (Salinas, KS) for mapping SOC, soil clay content and mineralogy. The Veris spectrometer spanned 350 to 2224 nm with 8 nm spectral resolution, and 25 spectra were integrated every 2 seconds resulting in 3 -5 m scanning distances on the ground. The unit was mounted to a mobile sensor platform pulled by a tractor, and scanned soils at an average depth of 10 cm through a quartz-sapphire window. We scanned eight 16.2 ha (40 ac) wheat fields in north central Montana (USA), with 15 m transect intervals. Using random sampling with spatial inhibition, 100 soil samples from 0-10 cm depths were extracted along scanned transects from each field and were analyzed for SOC. Neat, sieved (<2 mm) soil sample materials were also scanned in the lab using an Analytical Spectral Devices (ASD, Boulder, CO, USA) Fieldspec Pro FR spectroradiometer with a spectral range of 350-2500 and spectral resolution of 2-10 nm. The analyzed samples were used to calibrate and validate a number of partial least squares regression (PLSR) VisNIR models to compare on-the-go scanning vs. higher spectral resolution laboratory spectroscopy vs. standard SOC measurement methods.

Vibrational spectral investigation, NBO, first hyperpolarizability and UV-Vis spectral analysis of 3,5-dichlorobenzonitrile and m-bromobenzonitrile by ab initio and density functional theory methods.

PubMed

Senthil kumar, J; Jeyavijayan, S; Arivazhagan, M

2015-02-05

The FT-IR and FT-Raman spectra of 3,5-dichlorobenzonitrile and m-bromobenzonitrile have been recorded in the region 4000-400 cm(-1) and 3500-50 cm(-1), respectively. The optimized geometry, wave numbers and intensity of vibrational bonds of title molecules are obtained by ab initio and DFT level of theory with complete relaxation in the potential energy surface using 6-311++G(d, p) basis set. A complete vibrational assignments aided by the theoretical harmonic frequency, analysis have been proposed. The harmonic vibrational frequencies calculated have been compared with experimental FT-IR and FT-Raman spectra. The observed and calculated frequencies are found to be in good agreement. Stability of the molecule arising from hyperconjugative interactions, charge delocalization have been analyzed using natural bond orbital (NBO) analysis. The UV-Vis spectral analysis of the molecules has also been done which confirms the charge transfer of the molecules. Furthermore, the first hyperpolarizability and total dipole moment of the molecules have been calculated. Copyright © 2014 Elsevier B.V. All rights reserved.

Simultaneous determination of vitamin B12 and its derivatives using some of multivariate calibration 1 (MVC1) techniques

NASA Astrophysics Data System (ADS)

Samadi-Maybodi, Abdolraouf; Darzi, S. K. Hassani Nejad

2008-10-01

Resolution of binary mixtures of vitamin B12, methylcobalamin and B12 coenzyme with minimum sample pre-treatment and without analyte separation has been successfully achieved by methods of partial least squares algorithm with one dependent variable (PLS1), orthogonal signal correction/partial least squares (OSC/PLS), principal component regression (PCR) and hybrid linear analysis (HLA). Data of analysis were obtained from UV-vis spectra. The UV-vis spectra of the vitamin B12, methylcobalamin and B12 coenzyme were recorded in the same spectral conditions. The method of central composite design was used in the ranges of 10-80 mg L -1 for vitamin B12 and methylcobalamin and 20-130 mg L -1 for B12 coenzyme. The models refinement procedure and validation were performed by cross-validation. The minimum root mean square error of prediction (RMSEP) was 2.26 mg L -1 for vitamin B12 with PLS1, 1.33 mg L -1 for methylcobalamin with OSC/PLS and 3.24 mg L -1 for B12 coenzyme with HLA techniques. Figures of merit such as selectivity, sensitivity, analytical sensitivity and LOD were determined for three compounds. The procedure was successfully applied to simultaneous determination of three compounds in synthetic mixtures and in a pharmaceutical formulation.

3D-printed, sugar cube-size microplasma on a hybrid chip used as a spectral lamp to characterize UV-Vis transmission characteristics of polycarbonate chips for microfluidic applications

NASA Astrophysics Data System (ADS)

Devathasan, D.; Trebych, K.; Karanassios, Vassili

2013-05-01

A 3d-printed, solar-powered, battery-operated, atmospheric-pressure, self-igniting microplasma the size of a sugar-cube has been used as light source to document the Ultra Violet (UV) and visible transmission characteristics of differentthickness polycarbonate chips that are often used for microfluidic applications. The hybrid microplasma chip was fitted with a quartz plate because quartz is transparent to UV.

Orbital Observatory for Planetary Science on Low Cost Autonomous Platform

NASA Astrophysics Data System (ADS)

Tavrov, Alexander; Bisikalo, Dmitry; Vedenkin, Nikolay; Korablev, Oleg; Markov, Alexander; Kiselev, Alexander; Kokorich, Mikhail

The Space Research Institute of Russian Academy of Science (IKI RAS) and Dauria Aerospace are currently developing the middle class space telescope project aiming to observe Solar system planets by a long term spectroscopy and polarimetry monitoring, as well aiming to extra solar planets (exoplanets) engineering and scientific goals. The spacecraft is scheduled to be launched in 2017. It is planned first to be delivered on board of the ISS by the Progress spacecraft, then it will be released to the desired orbit approx. 550 km by the Progress in the way to its final destination. The “Planetary monitoring” telescope has a 0.6 meter primary mirror diameter Telescope currently includes 5 science instruments: NIR: 1000..4000 nm high-resolution spectrometer with the spectral resolution of R>10000; Visible Field camera with filters wheel; UV-VIS field resolved Fourier spectrometer; UV-VIS spectropolarimeter; Stellar coronagraph linked with a low-resolution spectrometer. The scientific goals of the “Planetary monitoring” telescope are devoted to explore not yet well studied questions on Mars (methane, ozone, dust and clouds, isotope ratio of HDO/H2O), on Venus (UV absorber, night glow, atmosphere dynamics), icy and gaseous Solar system planets, Jovian moons, Lunar exosphere, comets, meteorites. This telescope aims also for engineering development of exoplanet study by stellar coronagraphy linked with a low-resolution spectrometry. This Orbital Observatory mission uses the first low cost small satellite platform developed by the Dauria Aerospace® - Russian private company and reuses the Progress to elevate the observatory orbit. The Progress launches four times per year to provide supplies and scientific instruments to the ISS. The Progress is capable of raising the height of the orbit for the piggyback scientific missions; therefore, the implementation of the Orbital Observatory mission is considered not just as a development of a successful science mission so it is most importantly developing an affordable and frequent flight opportunities for space sciences research in Russia and worldwide. The paper describes the scientific objectives and corresponding instruments, and introduces the low cost satellite platform and launch opportunities.

New Measurement of Singly Ionized Selenium Spectra by High Resolution Fourier Transform and Grating Spectroscopy

NASA Astrophysics Data System (ADS)

Hala, Noman; Nave, G.; Kramida, A.; Ahmad, T.; Nahar, S.; Pradhan, A.

2015-05-01

We report new measurements of singly ionised selenium, an element of the iron group detected in nearly twice as many planetary nebulae as any other trans-iron element. We use the NIST 2 m UV/Vis/IR and FT700 UV/Vis Fourier transform spectrometers over the wavelength range of 2000 Å-2.5 μm, supplemented in the lower wavelength region 300-2400 Å with grating spectra taken on a 3-m normal incidence vacuum spectrograph. The analysis of Se II is being extended, covering the wide spectral region from UV to IR. From our investigation, we found serious inconsistency and incompleteness in the previously published results, where several levels were reported without any designation. The analysis is being revised and extended with the help of semiempirical quasi-relativistic Hartree-Fock calculations, starting with the 4s24p3- [4s24p2(4d +5d +5s +6s) +4s4p4] transition array. Out of fifty-two previously reported levels, we rejected thirteen and found several new level values. With the new measurements, we expect to observe transitions between 4s24p2(4d +5s) and 4s24p2(5p +4f), lying in the visible and IR region. A complete interpretation of the level system of both parities will be assisted by least squares fitted parametric calculations. In all, we have already classified about 450 observed lines involving 89 energy levels.

[Research advances in water quality monitoring technology based on UV-Vis spectrum analysis].

PubMed

Wei, Kang-Lin; Wen, Zhi-yu; Wu, Xin; Zhang, Zhong-Wei; Zeng, Tian-Ling

2011-04-01

The application of spectral analysis to water quality monitoring is an important developing trend in the field of modern environment monitoring technology. The principle and characteristic of water quality monitoring technology based on UV-Vis spectrum analysis are briefly reviewed. And the research status and advances are introduced from two aspects, on-line monitoring and in-situ monitoring. Moreover, the existent key technical problems are put forward. Finally, the technology trends of multi-parameter water quality monitoring microsystem and microsystem networks based on microspectrometer are prospected, which has certain reference value for the research and development of environmental monitoring technology and modern scientific instrument in the authors' country.

HREELS to identify electronic structures of organic thin films.

PubMed

Oeter, D; Ziegler, C; Göpel, W

1995-10-01

The electronic structure of alpha-oligothiophene (alphanT) thin films has been investigated for increasing chain lengths of n= 4-8 thiophene units with high resolution electron energy loss spectroscopy (HREELS) in the specular reflection geometry at a primary energy of 15 eV. The great advantage of this technique in contrast to UV/VIS absorption spectroscopy results from the fact, that the impact scattering mechanism of HREELS makes it possible to also detect optically forbidden electronic transitions. On the other hand, the electrons used as probes in HREELS have a wavelength which is two orders of magnitudes smaller if compared to those of photons used in UV/VIS absorption spectroscopy. Therefore individual molecules are excited by HREELS independent from each other and hence the excitation of collective excitons is not possible. As a result, information about the orientation of the molecules cannot be achieved with HREELS, which, however, is possible in polarization-dependent UV/VIS spectroscopy.

Determination of Diethyl Phthalate and Polyhexamethylene Guanidine in Surrogate Alcohol from Russia

PubMed Central

Monakhova, Yulia B.; Kuballa, Thomas; Leitz, Jenny; Lachenmeier, Dirk W.

2011-01-01

Analytical methods based on spectroscopic techniques were developed and validated for the determination of diethyl phthalate (DEP) and polyhexamethylene guanidine (PHMG), which may occur in unrecorded alcohol. Analysis for PHMG was based on UV-VIS spectrophotometry after derivatization with Eosin Y and 1H NMR spectroscopy of the DMSO extract. Analysis of DEP was performed with direct UV-VIS and 1H NMR methods. Multivariate curve resolution and spectra computation methods were used to confirm the presence of PHMG and DEP in the investigated beverages. Of 22 analysed alcohol samples, two contained DEP or PHMG. 1H NMR analysis also revealed the presence of signals of hawthorn extract in three medicinal alcohols used as surrogate alcohol. The simple and cheap UV-VIS methods can be used for rapid screening of surrogate alcohol samples for impurities, while 1H NMR is recommended for specific confirmatory analysis if required. PMID:21647285

Determination of diethyl phthalate and polyhexamethylene guanidine in surrogate alcohol from Russia.

PubMed

Monakhova, Yulia B; Kuballa, Thomas; Leitz, Jenny; Lachenmeier, Dirk W

2011-01-01

Analytical methods based on spectroscopic techniques were developed and validated for the determination of diethyl phthalate (DEP) and polyhexamethylene guanidine (PHMG), which may occur in unrecorded alcohol. Analysis for PHMG was based on UV-VIS spectrophotometry after derivatization with Eosin Y and (1)H NMR spectroscopy of the DMSO extract. Analysis of DEP was performed with direct UV-VIS and (1)H NMR methods. Multivariate curve resolution and spectra computation methods were used to confirm the presence of PHMG and DEP in the investigated beverages. Of 22 analysed alcohol samples, two contained DEP or PHMG. (1)H NMR analysis also revealed the presence of signals of hawthorn extract in three medicinal alcohols used as surrogate alcohol. The simple and cheap UV-VIS methods can be used for rapid screening of surrogate alcohol samples for impurities, while (1)H NMR is recommended for specific confirmatory analysis if required.

MAJIS (Moons and Jupiter Imaging Spectrometer): the VIS-NIR imaging spectrometer of the JUICE mission

NASA Astrophysics Data System (ADS)

Langevin, Yves; Piccioni, Giuseppe; Dumesnil, Cydalise; Filacchione, Gianrico; Poulet, Francois; MAJIS Team

2016-10-01

MAJIS is the VIS-NIR imaging spectrometer of JUICE. This ambitious mission of ESA's « cosmic vision » program will investigate Jupiter and its system with a specific focus on Ganymede. After a tour of more than 3 years including 2 fly-bys of Europa and up to 20 flybys of Ganymede and Callisto, the end of the nominal mission will be dedicated to an orbital phase around Ganymede with 120 days in a near-circular, near-polar orbit at an altitude of 5000 km and 130 days in a circular near-polar orbit at an altitude of 500 km. MAJIS will adress 17 of the 19 primary science objectives of JUICE, investigating the surface and exosphere of the Galilean satellites (Ganymede during the orbital phase, Europa and Callisto during close flybys, Io from a minimum distance of 570,000 km), the atmosphere / exosphere of Jupiter, small satellites and rings, and their role as sources and sinks of particles in the Jupiter magnetosphere.The main technical characteristics are the following:Spectral range : 0.5 - 5.7 µm with two overlapping channels (VIS-NIR : 0.5 - 2.35 µm ; IR : 2.25 - 5.7 µm)Spatial resolution : 0.125 to 0.15 mradSpectral sampling (VIS-NIR channel) : 2.9 to 3.45 nmSpectral sampling (IR channel) : 5.4 to 6.45 nmThe spectral and spatial resolution will be finalized in october 2016 after the selection of the MAJIS detectors.Passive cooling will provide operating temperatures < 130 K (VIS-NIR) and < 90 K (IR) so as to limit the impact of dark current on performances.The SNR as determined from the photometric model and the noise model will be larger than 100 over most of the spectral range except for high resolution observations of icy moons at low altitude due to limitations on the integration time even with motion compensation provided by a scanner and for exospheric observations due to intrinsic low signal levels.

RTS effect detection in Sentinel-4 data

NASA Astrophysics Data System (ADS)

Candeias, Henrique; Gnata, Xavier; Harlander, Maximilian; Hermsen, Markus; Hohn, Rüdiger; Riedl, Stefan; Skegg, Michael; Williges, Christian; Reulke, Ralf

2017-09-01

The future ESA Earth Observation Sentinel-4/UVN is a high resolution spectrometer intended to fly on board a Meteosat Third Generation Sounder (MTG-S) platform, placed in a geostationary orbit. The main objective of this optical mission is to continuously monitor the air quality over Europe in near-real time. The Sentinel-4/UVN instrument operates in three wavelength bands: Ultraviolet (UV: 305-400 nm), Visible (VIS: 400- 500 nm) and Near-infrared (NIR: 750-775 nm). Two dedicated CCD detector have been developed to be used in the Focal Plane Subsystems (FPS), one for the combined UV and VIS band, the other covering the NIR band. Being a high resolution spectrometer with challenging radiometric accuracy requirements, both on spectral and spatial dimensions, an effect such the Random Telegraph Signal (RTS) can represent a relevant contribution for the complete system accuracy. In this work we analyze the RTS effect on data acquired during the FPS testing campaign with qualification models for the Sentinel-4/UVN detectors. This test campaign has been performed in late 2016. The strategy for the impact assessment of RTS is to measure the effect at room temperature and then to extrapolate the results to the at instrument operational temperature. This way, very-long lasting data acquisitions could be avoided since the RTS frequency is much lower at cryogenic temperatures. A reliable technique for RTS effect detection has been developed in order to characterize the signal levels amplitude and occurrence frequencies (flipping rate). We demonstrate the residual impact of the RTS on the global In-Orbit Sentinel-4/UVN instrument performance and products accuracy.

Novel mixed ligand complexes of bioactive Schiff base (E)-4-(phenyl (phenylimino) methyl) benzene-1,3-diol and 2-aminophenol/2-aminobenzoic acid: synthesis, spectral characterization, antimicrobial and nuclease studies.

PubMed

Subbaraj, P; Ramu, A; Raman, N; Dharmaraja, J

2014-01-03

A novel bidentate Schiff base ligand has been synthesized using 2,4-dihydroxybenzophenone and aniline. Its mixed ligand complexes of MAB type [M=Mn(II), Co(II), Ni(II), Cu(II) and Zn(II); HA=Schiff base and B=2-aminophenol/2-aminobenzoic acid] have been synthesized and characterized on the basis of spectral data UV-Vis, IR, (1)H NMR, FAB-Mass, EPR, SEM and magnetic studies. All the complexes were soluble in DMF and DMSO. Elemental analysis and molar conductance values indicate that the complexes are non-electrolytes. HA binds with M(II) ions through azomethine and deprotonated phenolic group and B binds through the primary amine group and deprotonated phenolic/carboxylic groups. Using FAB-Mass the cleavage pattern of the ligand (HA) has been established. All the complexes adopt octahedral geometry around the metal ions. It has been confirmed with the help of UV-Vis, IR, (1)H NMR and FAB-Mass spectral data. DNA binding activities of the complexes 1d and 2d are studied by UV-Vis spectroscopy and cleavage studies of Schiff base ligand and its complexes 1d and 2d have been by agarose gel electrophoresis method. In vitro biological activities of the free ligand (HA) and their metal complexes (1a-1e and 2a-2e) were screened against few bacteria, Escherichia coli, Staphylococcus saphyphiticus, Staphylococcus aureus, Pseudomonas aeruginosa and fungi Aspergillus niger, Enterobacter species, Candida albicans by well diffusion technique. Copyright © 2013 Elsevier B.V. All rights reserved.

Artificial neural network associated to UV/Vis spectroscopy for monitoring bioreactions in biopharmaceutical processes.

PubMed

Takahashi, Maria Beatriz; Leme, Jaci; Caricati, Celso Pereira; Tonso, Aldo; Fernández Núñez, Eutimio Gustavo; Rocha, José Celso

2015-06-01

Currently, mammalian cells are the most utilized hosts for biopharmaceutical production. The culture media for these cell lines include commonly in their composition a pH indicator. Spectroscopic techniques are used for biopharmaceutical process monitoring, among them, UV-Vis spectroscopy has found scarce applications. This work aimed to define artificial neural networks architecture and fit its parameters to predict some nutrients and metabolites, as well as viable cell concentration based on UV-Vis spectral data of mammalian cell bioprocess using phenol red in culture medium. The BHK-21 cell line was used as a mammalian cell model. Off-line spectra of supernatant samples taken from batches performed at different dissolved oxygen concentrations in two bioreactor configurations and with two pH control strategies were used to define two artificial neural networks. According to absolute errors, glutamine (0.13 ± 0.14 mM), glutamate (0.02 ± 0.02 mM), glucose (1.11 ± 1.70 mM), lactate (0.84 ± 0.68 mM) and viable cell concentrations (1.89 10(5) ± 1.90 10(5) cell/mL) were suitably predicted. The prediction error averages for monitored variables were lower than those previously reported using different spectroscopic techniques in combination with partial least squares or artificial neural network. The present work allows for UV-VIS sensor development, and decreases cost related to nutrients and metabolite quantifications.

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.

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.

Using resonance light scattering and UV/vis absorption spectroscopy to study the interaction between gliclazide and bovine serum albumin.

PubMed

Zhang, Qiu-Ju; Liu, Bao-Sheng; Li, Gai-Xia; Han, Rong

2016-08-01

At different temperatures (298, 310 and 318 K), the interaction between gliclazide and bovine serum albumin (BSA) was investigated using fluorescence quenching spectroscopy, resonance light scattering spectroscopy and UV/vis absorption spectroscopy. The first method studied changes in the fluorescence of BSA on addition of gliclazide, and the latter two methods studied the spectral change in gliclazide while BSA was being added. The results indicated that the quenching mechanism between BSA and gliclazide was static. The binding constant (Ka ), number of binding sites (n), thermodynamic parameters, binding forces and Hill's coefficient were calculated at three temperatures. Values for the binding constant obtained using resonance light scattering and UV/vis absorption spectroscopy were much greater than those obtained from fluorescence quenching spectroscopy, indicating that methods monitoring gliclazide were more accurate and reasonable. In addition, the results suggest that other residues are involved in the reaction and the mode 'point to surface' existed in the interaction between BSA and gliclazide. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

Laser-Induced Breakdown Spectroscopy Infrared Emission From Inorganic and Organic Substances

DTIC Science & Technology

2006-11-01

using a liquid-nitrogen cooled indium antimonide (InSb) detector and the signal was recorded using a gated electronic circuit (boxcar averager). All...contaminants by analyzing the atomic spectral emission lines that result subsequent to plasmas generated by laser power. The ultraviolet-visible-near infrared...UV- Vis-NIR) spectral region exploited in conventional LIBS largely elucidates the elemental composition of the laser target by profiling these

Lunar Resources Using Moderate Spectral Resolution Visible and Near-infrared Spectroscopy: Al/si and Soil Maturity

NASA Technical Reports Server (NTRS)

Fischer, Erich M.; Pieters, Carle M.; Head, James W.

1992-01-01

Modern visible and near-infrared detectors are critically important for the accurate identification and relative abundance measurement of lunar minerals; however, even a very small number of well-placed visible and near-infrared bandpass channels provide a significant amount of general information about crucial lunar resources. The Galileo Solid State Imaging system (SSI) multispectral data are an important example of this. Al/Si and soil maturity will be discussed as examples of significant general lunar resource information that can be gleaned from moderate spectral resolution visible and near-infrared data with relative ease. Because quantitative-albedo data are necessary for these kinds of analyses, data such as those obtained by Galileo SSI are critical. SSI obtained synoptic digital multispectral image data for both the nearside and farside of the Moon during the first Galileo Earth-Moon encounter in December 1990. The data consist of images through seven filters with bandpasses ranging from 0.40 microns in the ultraviolet to 0.99 microns in the near-infrared. Although these data are of moderate spectral resolution, they still provide information for the following lunar resources: (1) titanium content of mature mare soils based upon the 0.40/0.56-micron (UV/VIS) ratio; (2) mafic mineral abundance based upon the 0.76/0.99-micron ratio; and (3) the maturity or exposure age of the soils based upon the 0.56-0.76-micron continuum and the 0.76/0.99-micron ratio. Within constraints, these moderate spectral resolution visible and near-infrared reflectance data can also provide elemental information such as Al/Si for mature highland soils.

Improved Ozone Profile Retrievals Using Multispectral Measurements from NASA 'A Train' Satellites

NASA Astrophysics Data System (ADS)

Fu, D.; Worden, J.; Livesey, N. J.; Irion, F. W.; Schwartz, M. J.; Bowman, K. W.; Pawson, S.; Wargan, K.

2013-12-01

Ozone, a radiatively and chemically important trace gas, plays various roles in different altitude ranges in the atmosphere. In the stratosphere, it absorbs the solar UV radiation from the Sun and protects us from sunburn and skin cancers. In the upper troposphere, ozone acts as greenhouse gas. Ozone in the middle troposphere reacts with many anthropogenic pollutants and cleans up the atmosphere. Near surface ozone is harmful to human health and plant life. Accurate monitoring of ozone vertical distributions is crucial for a better understanding of air quality and climate change. The Ozone Monitoring Instrument (OMI) and the Microwave Limb Sounder (MLS) are both in orbit on the Earth Observing System Aura satellite and are providing ozone concentration profile measurements. MLS observes limb signals from 118 GHz to 2.5 THz, and measures upper tropospheric and stratospheric ozone concentration (among many other species) with a vertical resolution of about 3 km. OMI is a nadir-viewing pushbroom ultraviolet-visible (UV-VIS) imaging spectrograph that measures backscattered radiances covering the 270-500 nm wavelength range. AIRS is a grating spectrometer, on EOS Aqua satellite, that measures the thermal infrared (TIR) radiances emitted by Earth's surface and by gases and particles in the spectral range 650 - 2665 cm-1. We present an approach to combine simultaneously measured UV and TIR radiances together with the retrieved MLS ozone fields, to improve the ozone sounding. This approach has the potential to provide a decadal record of ozone profiles with an improved spatial coverage and vertical resolution from space missions. For evaluating the quality of retrieved profiles, we selected a set of AIRS and OMI measurements, whose ground pixels were collocated with ozonesonde launch sites. The results from combination of these measurements are presented and discussed. The improvements on vertical resolution of tropospheric ozone profiles from the MLS/AIRS/OMI joint retrievals, as compared with either spectral region alone, are estimated using the ozonesonde measurements.

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.

Thermal Physical Property-Based Fusion of Geostationary Meteorological Satellite Visible and Infrared Channel Images

PubMed Central

Han, Lei; Shi, Lu; Yang, Yiling; Song, Dalei

2014-01-01

Geostationary meteorological satellite infrared (IR) channel data contain important spectral information for meteorological research and applications, but their spatial resolution is relatively low. The objective of this study is to obtain higher-resolution IR images. One common method of increasing resolution fuses the IR data with high-resolution visible (VIS) channel data. However, most existing image fusion methods focus only on visual performance, and often fail to take into account the thermal physical properties of the IR images. As a result, spectral distortion occurs frequently. To tackle this problem, we propose a thermal physical properties-based correction method for fusing geostationary meteorological satellite IR and VIS images. In our two-step process, the high-resolution structural features of the VIS image are first extracted and incorporated into the IR image using regular multi-resolution fusion approach, such as the multiwavelet analysis. This step significantly increases the visual details in the IR image, but fake thermal information may be included. Next, the Stefan-Boltzmann Law is applied to correct the distortion, to retain or recover the thermal infrared nature of the fused image. The results of both the qualitative and quantitative evaluation demonstrate that the proposed physical correction method both improves the spatial resolution and preserves the infrared thermal properties. PMID:24919017

Thermal physical property-based fusion of geostationary meteorological satellite visible and infrared channel images.

PubMed

Han, Lei; Shi, Lu; Yang, Yiling; Song, Dalei

2014-06-10

Geostationary meteorological satellite infrared (IR) channel data contain important spectral information for meteorological research and applications, but their spatial resolution is relatively low. The objective of this study is to obtain higher-resolution IR images. One common method of increasing resolution fuses the IR data with high-resolution visible (VIS) channel data. However, most existing image fusion methods focus only on visual performance, and often fail to take into account the thermal physical properties of the IR images. As a result, spectral distortion occurs frequently. To tackle this problem, we propose a thermal physical properties-based correction method for fusing geostationary meteorological satellite IR and VIS images. In our two-step process, the high-resolution structural features of the VIS image are first extracted and incorporated into the IR image using regular multi-resolution fusion approach, such as the multiwavelet analysis. This step significantly increases the visual details in the IR image, but fake thermal information may be included. Next, the Stefan-Boltzmann Law is applied to correct the distortion, to retain or recover the thermal infrared nature of the fused image. The results of both the qualitative and quantitative evaluation demonstrate that the proposed physical correction method both improves the spatial resolution and preserves the infrared thermal properties.

Multiple Scattering Principal Component-based Radiative Transfer Model (PCRTM) from Far IR to UV-Vis

NASA Astrophysics Data System (ADS)

Liu, X.; Wu, W.; Yang, Q.

2017-12-01

Modern satellite hyperspectral satellite remote sensors such as AIRS, CrIS, IASI, CLARREO all require accurate and fast radiative transfer models that can deal with multiple scattering of clouds and aerosols to explore the information contents. However, performing full radiative transfer calculations using multiple stream methods such as discrete ordinate (DISORT), doubling and adding (AD), successive order of scattering order of scattering (SOS) are very time consuming. We have developed a principal component-based radiative transfer model (PCRTM) to reduce the computational burden by orders of magnitudes while maintain high accuracy. By exploring spectral correlations, the PCRTM reduce the number of radiative transfer calculations in frequency domain. It further uses a hybrid stream method to decrease the number of calls to the computational expensive multiple scattering calculations with high stream numbers. Other fast parameterizations have been used in the infrared spectral region reduce the computational time to milliseconds for an AIRS forward simulation (2378 spectral channels). The PCRTM has been development to cover spectral range from far IR to UV-Vis. The PCRTM model have been be used for satellite data inversions, proxy data generation, inter-satellite calibrations, spectral fingerprinting, and climate OSSE. We will show examples of applying the PCRTM to single field of view cloudy retrievals of atmospheric temperature, moisture, traces gases, clouds, and surface parameters. We will also show how the PCRTM are used for the NASA CLARREO project.

Transmittance measurements of ultra violet and visible wavelength interference filters flown aboard LDEF

NASA Technical Reports Server (NTRS)

Mooney, Thomas A.; Smajkiewicz, Ali

1991-01-01

A set of ten interference filters for the UV and VIS spectral region were flown on the surface of the Long Duration Exposure Facility (LDEF) Tray B-8 along with earth radiation budget (ERB) components from the Eppley Laboratory. Transmittance changes and other degradation observed after the return of the filters to Barr are reported. Substrates, coatings, and (where applicable) cement materials are identified. In general, all filters except those containing lead compounds survived well. Metal dielectric filters for the UV developed large numbers of pinholes which caused an increase in transmittance. Band shapes and spectral positioning, however, did not change.

XRD and spectral dataset of the UV-A stable nanotubes of 3,5-bis(trifluoromethyl)benzylamine derivative of tyrosine.

PubMed

Govindhan, R; Karthikeyan, B

2017-10-01

The data presented in this article are related to the research entitled of UV-A stable nanotubes. The nanotubes have been prepared from 3,5-bis(trifluoromethyl)benzylamine derivative of tyrosine (BTTP). XRD data reveals the size of the nanotubes. As-synthesized nanotubes (BTTPNTs) are characterized by UV-vis optical absorption studies [1] and photo physical degradation kinetics. The resulted dataset is made available to enable critical or extended analyzes of the BTTPNTs as an excellent light resistive materials.

Analytical SuperSTEM for extraterrestrial materials research

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

Bradley, J P; Dai, Z R

2009-09-08

Electron-beam studies of extraterrestrial materials with significantly improved spatial resolution, energy resolution and sensitivity are enabled using a 300 keV SuperSTEM scanning transmission electron microscope with a monochromator and two spherical aberration correctors. The improved technical capabilities enable analyses previously not possible. Mineral structures can be directly imaged and analyzed with single-atomic-column resolution, liquids and implanted gases can be detected, and UV-VIS optical properties can be measured. Detection limits for minor/trace elements in thin (<100 nm thick) specimens are improved such that quantitative measurements of some extend to the sub-500 ppm level. Electron energy-loss spectroscopy (EELS) can be carried outmore » with 0.10-0.20 eV energy resolution and atomic-scale spatial resolution such that variations in oxidation state from one atomic column to another can be detected. Petrographic mapping is extended down to the atomic scale using energy-dispersive x-ray spectroscopy (EDS) and energy-filtered transmission electron microscopy (EFTEM) imaging. Technical capabilities and examples of the applications of SuperSTEM to extraterrestrial materials are presented, including the UV spectral properties and organic carbon K-edge fine structure of carbonaceous matter in interplanetary dust particles (IDPs), x-ray elemental maps showing the nanometer-scale distribution of carbon within GEMS (glass with embedded metal and sulfides), the first detection and quantification of trace Ti in GEMS using EDS, and detection of molecular H{sub 2}O in vesicles and implanted H{sub 2} and He in irradiated mineral and glass grains.« less

Blood characterization using UV/vis spectroscopy

NASA Astrophysics Data System (ADS)

Mattley, Yvette D.; Mitrani-Gold, F.; Orton, S.; Bacon, Christina P.; Leparc, German F.; Bayona, M.; Potter, Robert L.; Garcia-Rubio, Luis H.

1995-05-01

The current methods used for typing blood involve an agglutination reaction which results from the association of specific antibodies with antigens present on the erythrocyte cell surface. While this method is effective, it requires involved laboratory procedures to detect the cell surface antigens. As an alternative technique, uv/vis spectroscopy has been investigated as a novel way to characterize and differentiate the blood types. Typing with this technique is based on spectral differences which appear throughout portions of both the ultraviolet and visible range. The origin of these spectral differences is unknown and presently under investigation. They may be due to intrinsic absorption differences at the molecular level, and/or they may be due to scattering differences brought about by either subtle variation in cell surface characteristics, cell shape or state of aggregation. As the background optical density in these samples is identified and accounted for, the spectral differences become more defined. This work and the continuation of this project will be included in a general database encompassing a wide range of blood samples. In addition, long term goals involve the investigation of diseased blood with the potential of providing a more rapid diagnosis for blood borne pathogens.

Optoelectronic and photoacoustic studies of an organic dye synthesized through green route

NASA Astrophysics Data System (ADS)

Vijayakumar, S.; Sreelatha, S.; Hatamimoslehabadi, M.; Yelleswarappu, C. S.

2017-10-01

An azo dye was prepared through an environmentally benign and economically feasible synthesis route with cardanol as a starting material. Cardanol is a cost-effective and renewable natural source obtained from Cashew Nut Shell Liquid, a by-product of the cashew industry. The dye was spectrally characterized by IR, UV-Vis, NMR and fluorescence studies. UV-Vis absorption showed a bathochromic shift between solvents of lower and higher polarities. Nonlinear optical and photoacoustic properties were studied using a frequency doubled Nd:YAG laser producing 532 nm laser pulses of 3 ns pulse width. Results show that the nonlinear absorption coefficient decreases with the increase of on-axis intensity, suggesting excited state absorption as the principal mechanism. The observed nonlinearity has applications in optoelectronics.

Group 12 dithiocarbamate complexes: Synthesis, spectral studies and their use as precursors for metal sulfides nanoparticles and nanocomposites

NASA Astrophysics Data System (ADS)

Ajibade, Peter A.; Ejelonu, Benjamin C.

2013-09-01

Zn(II), Cd(II) and Hg(II) dithiocarbamate complexes have been synthesized and characterized by elemental analysis, thermogravimetric analysis, UV-Vis, FTIR, 1H- and 13C NMR spectroscopy. The complexes were thermolysed at 180 °C and used as single molecule precursors for the synthesis of HDA capped ZnS, CdS and HgS nanoparticles and polymethylmethacrylate (PMMA) nanocomposites. The optical and structural properties of the nanoparticles and nanocomposites were studied by UV-Vis, PL, XRD and SEM. The crystallites sizes of the nanoparticles varied between 3.03 and 23.45 nm. SEM and EDX analyses of the nanocomposites confirmed the presence of the nanoparticles in the polymer matrix.

Studies on synthesis, growth, structural, thermal, linear and nonlinear optical properties of organic picolinium maleate single crystals.

PubMed

Pandi, P; Peramaiyan, G; Sudhahar, S; Chakkaravarthi, G; Mohan Kumar, R; Bhagavannarayana, G; Jayavel, R

2012-12-01

Picolinium maleate (PM), an organic material has been synthesised and single crystals were grown by slow evaporation technique. The structure of the grown crystal was elucidated by using single crystal X-ray diffraction analysis. PM crystal belongs to the monoclinic crystallographic system with space group P2(1)/c. The crystalline perfection of the grown crystals was analyzed by high-resolution X-ray diffraction rocking curve measurements. The presence of functional groups in PM was identified by FTIR and FT-NMR spectral analyses. Thermal behaviour and stability of picolinium maleate were studied by TGA/DTA analyses. UV-Vis spectral studies reveal that PM crystals are transparent in the wavelength region 327-1100 nm. The laser damage threshold value of PM crystal was found to be 4.3 GW/cm(2) using Nd:YAG laser. The Kurtz and Perry powder second harmonic generation technique confirms the nonlinear optical property of the grown crystal. Copyright © 2012 Elsevier B.V. All rights reserved.

Distribution of clay minerals on the Alaskan margin near Barrow Canyon revealed by Diffuse Spectral Reflectance measurements

NASA Astrophysics Data System (ADS)

Orsburn, C.; Ortiz, J. D.; Polyak, L.; Grebmeier, J. M.; Darby, D.

2007-12-01

Sediment clay mineral assemblages provide an excellent means of assessing the provenance of Arctic sediment due to the variety of sediment transport mechanisms at work and the existence of distinct weathering sources from differing bedrock geology. During HOTRAX Leg 1 aboard the USCG Ice breaker Healy (cruise HLY0501), we collected jumbo piston cores on the Alaskan margin near Barrow Canyon which provide detailed Holocene sedimentary records. Measurements of Diffuse Spectral Reflectance (DSR) were collected at 1cm resolution from the split surface of the cores using a Minolta CM-2600d UV/VIS spectrophotometer (400-700nm wavelength range; 10nm resolution; 3mm spot size). To interpret the resulting downcore records, we present a preliminary study using 28 coretop sediment samples collected by the Shelf-Basin Interaction program in 2004 arrayed in four transects across the shelf near Barrow Canyon. The samples were analyzed using an ASD Labspec Pro FR UV/VIS/NIR spectrometer (250-2500nm wavelength range, 2-10nm resolution; 20mm spot size). Our results indicate that the measurements from the two instruments are offset by constant factors, but can be easily compared. To estimate the clay mineralogy of the cores, we decomposed the matrix of DSR measurements from the coretop and downcore samples using principle component analysis and compared the resulting factor score patterns with mineral diffuse spectral reflectance signatures from known samples measured in our lab or available from version 5 of the USGS Digital Spectral Library. The three leading modes extracted by principle component analysis of the downcore samples are applicable to the coretops. We infer that the first principle component mode relates to smectite, the second to chlorite, and the third to a mixture of illite and goethite (herein referred to as illite - goethite). The geographic and bathymetric trends in the coretop data indicate that (1) the smectite and illite - goethite components both increase with depth and reach greater values in the two western transects than in the two eastern transects closest to the coast and Barrow Canyon, (2) the smectite and illite- goethite components are anticorrelated in the two western transects, but not in the two eastern transects, (3) chlorite decreases with depth and is highest in the two transects closest to Barrow Canyon. These results suggest that the chlorite on the Alaskan margin is transported by nearshore currents from the Bering Straight and then by bottom currents flowing through the Barrow Canyon. Accordingly, we interpret downcore chlorite peaks inferred from DSR measurements in our sediment cores as evidence of times of enhanced input of Pacific water to the Alaskan Margin.

Direct fusion of geostationary meteorological satellite visible and infrared images based on thermal physical properties.

PubMed

Han, Lei; Wulie, Buzha; Yang, Yiling; Wang, Hongqing

2015-01-05

This study investigated a novel method of fusing visible (VIS) and infrared (IR) images with the major objective of obtaining higher-resolution IR images. Most existing image fusion methods focus only on visual performance and many fail to consider the thermal physical properties of the IR images, leading to spectral distortion in the fused image. In this study, we use the IR thermal physical property to correct the VIS image directly. Specifically, the Stefan-Boltzmann Law is used as a strong constraint to modulate the VIS image, such that the fused result shows a similar level of regional thermal energy as the original IR image, while preserving the high-resolution structural features from the VIS image. This method is an improvement over our previous study, which required VIS-IR multi-wavelet fusion before the same correction method was applied. The results of experiments show that applying this correction to the VIS image directly without multi-resolution analysis (MRA) processing achieves similar results, but is considerably more computationally efficient, thereby providing a new perspective on VIS and IR image fusion.

Direct Fusion of Geostationary Meteorological Satellite Visible and Infrared Images Based on Thermal Physical Properties

PubMed Central

Han, Lei; Wulie, Buzha; Yang, Yiling; Wang, Hongqing

2015-01-01

This study investigated a novel method of fusing visible (VIS) and infrared (IR) images with the major objective of obtaining higher-resolution IR images. Most existing image fusion methods focus only on visual performance and many fail to consider the thermal physical properties of the IR images, leading to spectral distortion in the fused image. In this study, we use the IR thermal physical property to correct the VIS image directly. Specifically, the Stefan-Boltzmann Law is used as a strong constraint to modulate the VIS image, such that the fused result shows a similar level of regional thermal energy as the original IR image, while preserving the high-resolution structural features from the VIS image. This method is an improvement over our previous study, which required VIS-IR multi-wavelet fusion before the same correction method was applied. The results of experiments show that applying this correction to the VIS image directly without multi-resolution analysis (MRA) processing achieves similar results, but is considerably more computationally efficient, thereby providing a new perspective on VIS and IR image fusion. PMID:25569749

Mineralogy and chemistry of Ti-bearing lunar soils: Effects on reflectance spectra and remote sensing observations

NASA Astrophysics Data System (ADS)

Coman, Ecaterina O.; Jolliff, Bradley L.; Carpenter, Paul

2018-05-01

This paper presents results of coordinated ultraviolet and visible wavelength reflectance measurements, X-ray diffraction analyses of mineral components, and micro X-ray fluorescence analyses of Ti concentrations of 13 lunar soil samples (<210 μm) that span a range of maturity and TiO2 contents. Results of these analyses are used to determine the effects of soil maturity, TiO2 concentration, and specific mineralogical makeup, especially ilmenite content, on the ultraviolet/visible (UV/VIS) ratio for application to remote sensing observations of the Moon and other airless bodies. We find that measured ilmenite weight percent correlates highly with measured TiO2 concentrations. Thus, the ilmenite content is a good predictor of TiO2 concentration. Ilmenite is the main contributor of TiO2 for soils with greater than about 2 wt.% TiO2, so we take the effects of TiO2 on reflectance spectra to be essentially those of ilmenite. Constraining the data set to eight mature Apollo soils, we find that among the UV/VIS ratios from laboratory-measured spectra, the 321/415 nm ratio shows the best correlation with TiO2 and ilmenite. Moreover, for soils with similar maturity in the submature to mature range, those with higher TiO2 have higher 321/415 UV/VIS ratios. Finally, the correlation between TiO2 content and 321/415 ratio in samples measured in the lab appears weaker than for the same relationship using the Lunar Reconnaissance Orbiter (LRO) Wide Angle Camera (WAC) spectral data for the 321/415 ratio of Apollo ground-truth sites. The correlation between lab-derived 321/415 ratios and TiO2 content for measured samples improves when low-maturity samples are excluded from the dataset, implying that the LROC WAC spectra at 400 m/pix spatial resolution senses mostly mature soil.

Effects of iron on optical properties of dissolved organic matter.

PubMed

Poulin, Brett A; Ryan, Joseph N; Aiken, George R

2014-09-02

Iron is a source of interference in the spectroscopic analysis of dissolved organic matter (DOM); however, its effects on commonly employed ultraviolet and visible (UV-vis) light adsorption and fluorescence measurements are poorly defined. Here, we describe the effects of iron(II) and iron(III) on the UV-vis absorption and fluorescence of solutions containing two DOM fractions and two surface water samples. In each case, regardless of DOM composition, UV-vis absorption increased linearly with increasing iron(III). Correction factors were derived using iron(III) absorption coefficients determined at wavelengths commonly used to characterize DOM. Iron(III) addition increased specific UV absorbances (SUVA) and decreased the absorption ratios (E2:E3) and spectral slope ratios (SR) of DOM samples. Both iron(II) and iron(III) quenched DOM fluorescence at pH 6.7. The degree and region of fluorescence quenching varied with the iron:DOC concentration ratio, DOM composition, and pH. Regions of the fluorescence spectra associated with greater DOM conjugation were more susceptible to iron quenching, and DOM fluorescence indices were sensitive to the presence of both forms of iron. Analyses of the excitation-emission matrices using a 7- and 13-component parallel factor analysis (PARAFAC) model showed low PARAFAC sensitivity to iron addition.

Clementine High Resolution Camera Mosaicking Project. Volume 21; CL 6021; 80 deg S to 90 deg S Latitude, North Periapsis; 1

NASA Technical Reports Server (NTRS)

Malin, Michael; Revine, Michael; Boyce, Joseph M. (Technical Monitor)

1998-01-01

This compact disk (CD) is part of the Clementine I high resolution (HiRes) camera lunar image mosaics developed by Malin Space Science Systems (MSSS). These mosaics were developed through calibration and semi-automated registration against the recently released geometrically and photometrically controlled Ultraviolet/Visible (UV/Vis) Basemap Mosaic, which is available through the PDS, as CD-ROM volumes CL_3001-3015. The HiRes mosaics are compiled from non-uniformity corrected, 750 nanometer ("D") filter high resolution observations from the HiRes imaging system onboard the Clementine Spacecraft. The geometric control is provided by the U. S. Geological Survey (USGS) Clementine Basemap Mosaic compiled from the 750 nm Ultraviolet/Visible Clementine imaging system. Calibration was achieved by removing the image nonuniformity largely caused by the HiRes system's light intensifier. Also provided are offset and scale factors, achieved by a fit of the HiRes data to the corresponding photometrically calibrated UV/Vis basemap that approximately transform the 8-bit HiRes data to photometric units. The mosaics on this CD are compiled from polar data (latitudes greater than 80 degrees), and are presented in the stereographic projection at a scale of 30 m/pixel at the pole, a resolution 5 times greater than that (150 m/pixel) of the corresponding UV/Vis polar basemap. This 5:1 scale ratio is in keeping with the sub-polar mosaic, in which the HiRes and UV/Vis mosaics had scales of 20 m/pixel and 100 m/pixel, respectively. The equal-area property of the stereographic projection made this preferable for the HiRes polar mosaic rather than the basemap's orthographic projection. Thus, a necessary first step in constructing the mosaic was the reprojection of the UV/Vis basemap to the stereographic projection. The HiRes polar data can be naturally grouped according to the orbital periapsis, which was in the south during the first half of the mapping mission and in the north during the second half. Images in each group have generally uniform intrinsic resolution, illumination, exposure and gain. Rather than mingle data from the two periapsis epochs, separate mosaics are provided for each, a total of 4 polar mosaics. The mosaics are divided into 100 square tiles of 2250 pixels (approximately 2.2 deg near the pole) on a side. Not all squares of this grid contain HiRes mosaic data, some inevitably since a square is not a perfect representation of a (latitude) circle, others due to the lack of HiRes data. This CD also contains ancillary data files that support the HiRes mosaic. These files include browse images with UV/Vis context stored in a Joint Photographic Experts Group (JPEG) format, index files ('imgindx.tab' and 'srcindx.tab') that tabulate the contents of the CD, and documentation files. For more information on the contents and organization of the CD volume set refer to the "FILES, DIRECTORIES AND DISK CONTENTS" section of this document. The image files are organized according to NASA's Planetary Data System (PDS) standards. An image file (tile) is organized as a PDS labeled file containing an "image object".

Synergy Between Occultation, Limb and Nadir Satellite Data to Study Atmospheric Ozone, Aerosols and Radiation

NASA Astrophysics Data System (ADS)

Bhartia, P. K.; Loughman, R. P.; Ziemke, J. R.

2017-12-01

There is a widespread concern in the atmospheric chemistry community about the continuity of long-term datasets of ozone and related species needed to understand changes in Earth's atmospheric composition, particularly in the climate-sensitive upper tropospheric/lower stratospheric (UTLS) region. The MLS instrument on NASA 's Aura satellite designed to make such measurements is now more than 13 years old. The Canadian ACE-FTS solar occultation instrument is even older, and ESA's MIPAS instrument ceased operation in 2012. There are currently no plans to replace these instruments. Yet, at the same time for some of the atmospheric composition products we are arguably entering a golden era in space-based measurements. New generation of nadir-viewing instruments operating in IR, VIS and UV wavelengths are already flying and soon there will be 3 UV/VIS instruments in geostationary orbits. The limb-viewing component of the OMPS instrument launched on the Suomi NPP satellite in 2011 is capable of measuring ozone and aerosols at 2 km vertical resolution down to about 12 km. NASA is building another copy of this instrument for launch on JPSS-2 in 2022 and there are plans to build more. The SAGE III instrument installed on the International Space Station earlier this year has restarted the venerable time series of ozone and aerosols that ended in 2005 with the demise of SAGE II. However, we argue that to make best use of these assets it is desirable to take advantage of the synergies between these instruments. Several multi-instrument tropospheric ozone products are already available. We expect continued efforts to improve these products by doing joint retrieval of limb, IR and UV nadir data. Another promising area is to combine solar occultation and limb-scattered data to produce aerosol extinction profiles at high spatial resolution, and to constrain aerosol size distribution parameters and refractive indices- an approach similar to the almucantar technique pioneered by the ground-based AERONET network. Finally, we discuss how limb and nadir back-scattered radiances could be synergistically combined to estimate spectrally-resolved hemispherical albedo of the planet from the UV to near-IR for climate studies.

Synthesis, crystal structure, DFT calculation and DNA binding studies of new water-soluble derivatives of dppz

NASA Astrophysics Data System (ADS)

Aminzadeh, Mohammad; Eslami, Abbas; Kia, Reza; Aleeshah, Roghayeh

2017-10-01

Diquaternarization of dipyrido-[2,3-a:2‧,3‧-c]-phenazine,(dppz) and its analogous dipyrido-[2,3-a:2‧,3‧-c]-dimethylphenazine,(dppx) using 1,3-dibromopropane afford new water-soluble derivatives of phenazine, propylene-bipyridyldiylium-phenazine (1) and propylene-bipyridyldiylium-dimethylphenazine (2). The compounds have been characterized by means of FT-IR, NMR, elemental analysis and conductometric measurements and their structure were determined by X-ray crystallography. The experimental studies on the compounds have been accompanied computationally by Density Functional Theory (DFT) calculations. The DNA binding properties of both compounds to calf thymus DNA (ctDNA) were investigated by UV-Vis absorption and emission methods. The expanded UV-Vis spectral data matrix was analyzed by multivariate curve resolution-alternating least squares (MCR-ALS) technique to obtain the concentration profile and pure spectra of all reaction species which existed in the interaction procedure. Multivariate curve resolution may help us to give a better understanding of the 1(Cl)2-ctDNA and 2(Cl)2-ctDNA interaction mechanism. The results suggest that both compounds bind tightly to DNA through intercalation mechanism and the DNA binding affinity of 2 is slightly lower than that of 1 due to steric hindrance of the methyl group. Also, thermal denaturation studies reveal that these compounds show strong affinity for binding with calf thymus DNA. The thermodynamic parameters of the DNA binding process were obtained from the temperature dependence of the binding constants and the results showed that binding of both compounds to DNA is an enthalpically driven process that is in agreement with proposed DNA intercalation capability of these compounds.

Collaborative classification of hyperspectral and visible images with convolutional neural network

NASA Astrophysics Data System (ADS)

Zhang, Mengmeng; Li, Wei; Du, Qian

2017-10-01

Recent advances in remote sensing technology have made multisensor data available for the same area, and it is well-known that remote sensing data processing and analysis often benefit from multisource data fusion. Specifically, low spatial resolution of hyperspectral imagery (HSI) degrades the quality of the subsequent classification task while using visible (VIS) images with high spatial resolution enables high-fidelity spatial analysis. A collaborative classification framework is proposed to fuse HSI and VIS images for finer classification. First, the convolutional neural network model is employed to extract deep spectral features for HSI classification. Second, effective binarized statistical image features are learned as contextual basis vectors for the high-resolution VIS image, followed by a classifier. The proposed approach employs diversified data in a decision fusion, leading to an integration of the rich spectral information, spatial information, and statistical representation information. In particular, the proposed approach eliminates the potential problems of the curse of dimensionality and excessive computation time. The experiments evaluated on two standard data sets demonstrate better classification performance offered by this framework.

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.

Polarity dependent photoisomerization of ether substituted azodyes: Synthesis and photoswitching behavior.

PubMed

Gan, Siew Mei; Pearl, Zynia Fernandes; Yuvaraj, A R; Lutfor, M R; Gurumurthy, Hegde

2015-10-05

Two new ether substituted azodyes were synthesized and characterized by different spectral analysis such as (1)H NMR, (13)C NMR, FTIR and UV/Vis. Synthesized compounds were used to study the photoisomerization phenomenon by using UV-Vis spectro-photometer. Interesting polarity dependent effect is observed for the first time on these materials. Trans-cis (E-Z) and cis-trans (Z-E) conversion occurred within 41 s and 445 min, respectively for both the compounds in solutions. Polarizing optical microscopy studies revealed that there is no liquid crystal phase for both the compounds. The dramatic variation in the optical property is speculated to be the polarity of the chemical species. These derivatives are useful to fabricate optical data storage devices. Copyright © 2015 Elsevier B.V. All rights reserved.

Group 12 dithiocarbamate complexes: synthesis, spectral studies and their use as precursors for metal sulfides nanoparticles and nanocomposites.

PubMed

Ajibade, Peter A; Ejelonu, Benjamin C

2013-09-01

Zn(II), Cd(II) and Hg(II) dithiocarbamate complexes have been synthesized and characterized by elemental analysis, thermogravimetric analysis, UV-Vis, FTIR, (1)H- and (13)C NMR spectroscopy. The complexes were thermolysed at 180 °C and used as single molecule precursors for the synthesis of HDA capped ZnS, CdS and HgS nanoparticles and polymethylmethacrylate (PMMA) nanocomposites. The optical and structural properties of the nanoparticles and nanocomposites were studied by UV-Vis, PL, XRD and SEM. The crystallites sizes of the nanoparticles varied between 3.03 and 23.45 nm. SEM and EDX analyses of the nanocomposites confirmed the presence of the nanoparticles in the polymer matrix. Copyright © 2013 Elsevier B.V. All rights reserved.

Binding of caffeine with caffeic acid and chlorogenic acid using fluorescence quenching, UV/vis and FTIR spectroscopic techniques.

PubMed

Belay, Abebe; Kim, Hyung Kook; Hwang, Yoon-Hwae

2016-03-01

The interactions of caffeine (CF) with chlorogenic acid (CGA) and caffeic acid (CFA) were investigated by fluorescence quenching, UV/vis and Fourier transform infrared (FTIR) spectroscopic techniques. The results of the study indicated that the fluorescence quenching between caffeine and hydroxycinnamic acids could be rationalized in terms of static quenching or the formation of non-fluorescent CF-CFA and CF-CGA complexes. From fluorescence quenching spectral analysis, the quenching constant (KSV), quenching rate constant (kq), number of binding sites (n), thermodynamic properties and conformational changes of the interaction were determined. The quenching constants (KSV) between CF and CGA, CFA are 1.84 × 10(4) and 1.04 × 10(4) L/mol at 298 K and their binding site n is ~ 1. Thermodynamic parameters determined using the Van't Hoff equation indicated that hydrogen bonds and van der Waal's forces have a major role in the reaction of caffeine with caffeic acid and chlorogenic acid. The 3D fluorescence, UV/vis and FTIR spectra also showed that the binding of CF with CFA and CGA induces conformational changes in CFA and CGA. Copyright © 2015 John Wiley & Sons, Ltd.

Differentiation of tea varieties using UV-Vis spectra and pattern recognition techniques

NASA Astrophysics Data System (ADS)

Palacios-Morillo, Ana; Alcázar, Ángela.; de Pablos, Fernando; Jurado, José Marcos

2013-02-01

Tea, one of the most consumed beverages all over the world, is of great importance in the economies of a number of countries. Several methods have been developed to classify tea varieties or origins based in pattern recognition techniques applied to chemical data, such as metal profile, amino acids, catechins and volatile compounds. Some of these analytical methods become tedious and expensive to be applied in routine works. The use of UV-Vis spectral data as discriminant variables, highly influenced by the chemical composition, can be an alternative to these methods. UV-Vis spectra of methanol-water extracts of tea have been obtained in the interval 250-800 nm. Absorbances have been used as input variables. Principal component analysis was used to reduce the number of variables and several pattern recognition methods, such as linear discriminant analysis, support vector machines and artificial neural networks, have been applied in order to differentiate the most common tea varieties. A successful classification model was built by combining principal component analysis and multilayer perceptron artificial neural networks, allowing the differentiation between tea varieties. This rapid and simple methodology can be applied to solve classification problems in food industry saving economic resources.

Aerosol Absorption Retrievals from the PACE Broad Spectrum Ocean Color Instrument (OCI)

NASA Technical Reports Server (NTRS)

Mattoo, Shana; Remer, Lorraine A.; Levy, Robert C.; Gupta, Pawan; Ahmad, Ziauddin; Martins, J. Vanderlei; Lima, Adriana Rocha; Torres, Omar

2016-01-01

The PACE (Pre-­Aerosol, Clouds and ocean Ecosystem) mission, anticipated for launch in the early 2020s, is designed to characterize oceanic and atmospheric properties. The primary instrument on-­-board will be a moderate resolution (approximately 1 km nadir) radiometer, called the Ocean Color Instrument (OCI). OCI will provide high spectral resolution (5 nm) from the UV to NIR (350 - 800 nm), with additional spectral bands in the NIR and SWIR. The OCI itself is an excellent instrument for atmospheric objectives, providing measurements across a broad spectral range that in essence combines the capabilities of MODIS and OMI, but with the UV channels from OMI to be available at moderate resolution. (Image credit: PACE Science Definition Team Report). Objective: Can we make use of the UV-­SWIR measurements to derive information about aerosol absorption when aerosol loading is high?

A Better Sunscreen: Structural Effects on Spectral Properties

ERIC Educational Resources Information Center

Huck, Lawrence A.; Leigh, William J.

2010-01-01

A modification of the mixed-aldol synthesis of dibenzylideneacetone, prepared from acetone and benzaldehyde, is described wherein acetone is replaced with a series of cyclic ketones with ring sizes of 5-7 carbons. The structural variations in the resulting conjugated ketones produce regular variations in the UV-vis absorption spectra. The choice…

Synthesis and Spectral Characterization of Antifungal Sensitive Schiff Base Transition Metal Complexes

PubMed Central

Sakthivel, A.; Rajasekaran, K.

2007-01-01

New N2O2 donor type Schiff base has been designed and synthesized by condensing acetoacetanilido-4-aminoantipyrine with 2-aminobenzoic acid in ethanol. Solid metal complexes of the Schiff base with Cu(II), Ni(II), Co(II), Mn(II), Zn(II), VO(IV), Hg(II) and Cd(II) metal ions were synthesized and characterized by elemental analyses, magnetic susceptibility, molar conduction, fast atom bombardment (FAB) mass, IR, UV-Vis, and 1H NMR spectral studies. The data show that the complexes have the composition of ML type. The UV-Vis. and magnetic susceptibility data of the complexes suggest a square-planar geometry around the central metal ion except VO(IV) complex which has square-pyramidal geometry. The in vitro antifungal activities of the compounds were tested against fungi such as Aspergillus niger, Aspergillus flavus, Rhizopus stolonifer, Candida albicans, Rhizoctonia bataicola and Trichoderma harizanum. All the metal complexes showed stronger antifungal activities than the free ligand. The minimum inhibitory concentrations (MIC) of the metal complexes were found in the range of 10~31 µg/ml. PMID:24015086

[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.

Spectral transmission of the pig lens: effect of ultraviolet A+B radiation.

PubMed

Artigas, C; Navea, A; López-Murcia, M-M; Felipe, A; Desco, C; Artigas, J-M

2014-12-01

To determine the spectral transmission curve of the crystalline lens of the pig. To analyse how this curve changes when the crystalline lens is irradiated with ultraviolet A+B radiation similar to that of the sun. To compare these results with literature data from the human crystalline lens. We used crystalline lenses of the common pig from a slaughterhouse, i.e. genetically similar pigs, fed with the same diet, and slaughtered at six months old. Spectral transmission was measured with a Perkin-Elmer Lambda 35 UV/VIS spectrometer. The lenses were irradiated using an Asahi Spectra Lax-C100 ultraviolet source, which made it possible to select the spectral emission band as well as the intensity and exposure time. The pig lens transmits all the visible spectrum (95%) and lets part of the ultraviolet A through (15%). Exposure to acute UV (A+B) irradiation causes a decrease in its transmission as the intensity or exposure time increases: this decrease is considerable in the UV region. We were able to determine the mean spectral transmission curve of the pig lens. It appears to be similar to that of the human lens in the visible spectrum, but different in the ultraviolet. Pig lens transmission is reduced by UV (A+B) irradiation and its transmission in the UV region can even disappear as the intensity or exposure time increases. An adequate exposure intensity and time of UV (A+B) radiation always causes an anterior subcapsular cataract (ASC). Copyright © 2014. Published by Elsevier Masson SAS.

Validation of High Speed Earth Atmospheric Entry Radiative Heating from 9.5 to 15.5 km/s

NASA Technical Reports Server (NTRS)

Brandis, A. M.; Johnston, C. O.; Cruden, B. A.; Prabhu, D. K.

2016-01-01

This paper presents an overview of the analysis and measurements of equilibrium radiation obtained in the NASA Ames Research Center's Electric Arc Shock Tube (EAST) facility as a part of recent testing aimed at reaching shock velocities up to 15.5 km/s. The goal of these experiments was to measure the level of radiation encountered during high speed Earth entry conditions, such as would be relevant for an asteroid, inter-planetary or lunar return mission. These experiments provide the first spectrally and spatially resolved data for high speed Earth entry and cover conditions ranging from 9.5 to 15.5 km/s at 13.3 and 26.6 Pa (0.1 and 0.2 Torr). The present analysis endeavors to provide a validation of shock tube radiation measurements and simulations at high speed conditions. A comprehensive comparison between the spectrally resolved absolute equilibrium radiance measured in EAST and the predictive tools, NEQAIR and HARA, is presented. In order to provide a more accurate representation of the agreement between the experimental and simulation results, the integrated value of radiance has been compared across four spectral regions (VUV, UV/Vis, Vis/NIR and IR) as a function of velocity. Results have generally shown excellent agreement between the two codes and EAST data for the Vis through IR spectral regions, however, discrepancies have been identified in the VUV and parts of the UV spectral regions. As a result of the analysis presented in this paper, an updated parametric uncertainty for high speed radiation in air has been evaluated to be [9.0%, -6.3%]. Furthermore, due to the nature of the radiating environment at these high shock speeds, initial calculations aimed at modeling phenomena that become more significant with increasing shock speed have been performed. These phenomena include analyzing the radiating species emitting ahead of the shock and the increased significance of radiative cooling mechanisms.

Indonesian palm civet coffee discrimination using UV-visible spectroscopy and several chemometrics methods

NASA Astrophysics Data System (ADS)

Yulia, M.; Suhandy, D.

2017-05-01

Indonesian palm civet coffee or kopi luwak (Indonesian words for coffee and palm civet) is well known as the world’s priciest and rarest coffee. To protect the authenticity of luwak coffee and protect consumer from luwak coffee adulteration, it is very important to develop a simple and inexpensive method to discriminate between civet and non-civet coffee. The discrimination between civet and non-civet coffee in ground roasted (powder) samples is very challenging since it is very difficult to distinguish between the two by using conventional method. In this research, the use of UV-Visible spectra combined with two chemometric methods, SIMCA and PLS-DA, was evaluated to discriminate civet and non-civet ground coffee samples. The spectral data of civet and non-civet coffee were acquired using UV-Vis spectrometer (Genesys™ 10S UV-Vis, Thermo Scientific, USA). The result shows that using both supervised discrimination methods: SIMCA and PLS-DA, all samples were correctly classified into their corresponding classes with 100% rate for accuracy, sensitivity and specificity, respectively.

Solar photo-Fenton using peroxymonosulfate for organic micropollutants removal from domestic wastewater: comparison with heterogeneous TiO₂ photocatalysis.

PubMed

Ahmed, Moussa Mahdi; Brienza, Monica; Goetz, Vincent; Chiron, Serge

2014-12-01

This work aims at decontaminating biologically treated domestic wastewater effluents from organic micropollutants by sulfate radical based (SO4(-)) homogeneous photo-Fenton involving peroxymonosulfate as an oxidant, ferrous iron (Fe(II)) as a catalyst and simulated solar irradiation as a light source. This oxidative system was evaluated by using several probe compounds belonging to pesticides (bifenthrin, mesotrione and clothianidin) and pharmaceuticals (diclofenac, sulfamethoxazole and carbamazepine) classes and its kinetic efficiency was compared to that to the well known UV-Vis/TiO2 heterogeneous photocatalysis. Except for carbamazepine, apparent kinetic rate constants were always 10 times higher in PMS/Fe(II)/UV-Vis than in TiO2/UV-Vis system and more than 70% of total organic carbon abatement was reached in less than one hour treatment. Hydroxyl radical (OH) and SO4(-) reactivity was investigated using mesotrione as a probe compound through by-products identification by liquid chromatography-high resolution-mass spectrometry and transformation pathways elucidation. In addition to two OH based transformation pathways, a specific SO4(-) transformation pathway which first involved degradation through one electron transfer oxidation processes followed by decarboxylation were probably responsible for mesotrione degradation kinetic improvement upon UV-Vis/PMS/Fe(II) system in comparison to UVVis/TiO2 system. Copyright © 2014 Elsevier Ltd. All rights reserved.

The structure feature of layered M1/3TiNbO5 (M=Fe, Ce) and their photocatalytic oxidization performance for ethyl mercaptan

NASA Astrophysics Data System (ADS)

Dong, Rui; Wang, Yuan; Wang, Ningning; Xu, Lei; He, Jie; Wu, Shanshan; Lan, Yunxiang; Hu, Jinsong

2016-09-01

Layered photocatalytic materials M1/3TiNbO5 (M = Fe, Ce) were prepared by ion-exchange of KTiNbO5 with M(NO3)3. The parent KTiNbO5 was synthesized with titanium (IV) isopropoxide and niobium oxalate by a novel polymerized complex (PC) method. The micro-structures and spectral response features of the as-prepared samples were characterized by powder X-ray diffraction (XRD), transmission electron microscope (TEM), laser Raman spectroscopy (LRS) and UV-vis diffuse reflectance spectroscopy (UV-vis DRS). The results revealed that there was a significant interaction between the interlayer cation and the terminal Nbdbnd O (Tidbnd O) bond in the NbO6 (TiO6) unit of the laminates. Photocatalytic performance was evaluated in oxidation of ethyl mercaptan under natural and UV light irradiation. It can be deduced that the photocatalytic oxidization performance can be directly affected by the characteristics of the interlayer cations.

Synthesis, growth, structural, optical, spectral, thermal and mechanical studies of 4-methoxy 4-nitrostilbene (MONS): a new organic nonlinear optical single crystal.

PubMed

Dinakaran, Paul M; Bhagavannarayana, G; Kalainathan, S

2012-11-01

4-Methoxy 4-nitrostilbene (MONS), a new organic nonlinear optical material has been synthesized. Based on the solubility data good quality single crystal with dimensions up to 38×11×3 mm(3) has been grown by slow evaporation method using ethyl methyl ketone (MEK) as a solvent. Powder XRD confirms the crystalline property and also the diffraction planes have been indexed. The lattice parameters for the grown MONS crystals were determined by using single crystal X-ray diffraction analysis and it reveals that the crystal lattice system is triclinic. The crystalline perfection of the grown crystals has been analysed by high resolution X-ray diffraction (HRXRD) rocking curve measurements. Fourier transform infrared (FTIR) spectrum for powdered MONS sample confirms the functional groups present in the grown crystal. The UV-vis absorption spectrum has been recorded in the range of 190-1100 nm and the cut off wavelength 499 nm has been determined. The optical constants of MONS have been determined through UV-vis-NIR spectroscopy. The MONS crystals were further subjected to other characterizations. i.e., (1)H NMR, TG/DTA, photoluminescence and microhardness test. The Kurtz and Perry powder technique confirms the NLO property of the grown crystal and the SHG efficiency of MONS was found to be 1.55× greater than that of KDP crystal. Copyright © 2012 Elsevier B.V. All rights reserved.

DISCOVER-AQ: An Overview and Initial Comparisons of NO2 with OMI Observations

NASA Technical Reports Server (NTRS)

Pickering, Kenneth; Crawford, James; Krotkov, Nickolay; Bucsela, Eric; Lamsal, Lok; Celarier, Edward; Herman, Jay; Janz, Scott; Cohen, Ron; Weinheimer, Andrew

2011-01-01

The first deployment of the Earth Venture -1 DISCOVER-AQ (Deriving Information on Surface conditions from Column and Vertically Resolved Observations Relevant to Air Quality) project was conducted during July 2011 in the Baltimore-Washington region. Two aircraft (a P-3B for in-situ sampling and a King Air for remote sensing) were used along with an extensive array of surface-based in-situ and remote sensing instrumentation. Fourteen flight days were accomplished by both aircraft and over 250 profiles of trace gases and aerosols were performed by the P-3B over surface air quality monitoring stations, which were specially outfitted with sunphotometers and Pandora UV/Vis spectrometers. The King Air flew with the High Spectral Resolution Lidar for aerosols and the ACAM UV/Vis spectrometer for trace gases. This suite of observations allows linkage of surface air quality with the vertical distributions of gases and aerosols, with remotely-sensed column amounts observed from the surface and from the King Air, and with satellite observations from Aura (OMI and TES), GOME-2, MODIS and GOES. The DISCOVER-AQ data will allow determination of under what conditions satellite retrievals are indicative of surface air quality, and they will be useful in planning new satellites. In addition to an overview of the project, a preliminary comparison of tropospheric column NO2 densities from the integration of in-situ P-3B observations, from the Pandoras and ACAM, and from the new Goddard OMI NO2 algorithm will be presented.

Theoretical modeling of UV-Vis absorption and emission spectra in liquid state systems including vibrational and conformational effects: explicit treatment of the vibronic transitions.

PubMed

D'Abramo, Marco; Aschi, Massimiliano; Amadei, Andrea

2014-04-28

Here, we extend a recently introduced theoretical-computational procedure [M. D'Alessandro, M. Aschi, C. Mazzuca, A. Palleschi, and A. Amadei, J. Chem. Phys. 139, 114102 (2013)] to include quantum vibrational transitions in modelling electronic spectra of atomic molecular systems in condensed phase. The method is based on the combination of Molecular Dynamics simulations and quantum chemical calculations within the Perturbed Matrix Method approach. The main aim of the presented approach is to reproduce as much as possible the spectral line shape which results from a subtle combination of environmental and intrinsic (chromophore) mechanical-dynamical features. As a case study, we were able to model the low energy UV-vis transitions of pyrene in liquid acetonitrile in good agreement with the experimental data.

Investigation on intermolecular interaction between berberine and β-cyclodextrin by 2D UV-Vis asynchronous spectra

NASA Astrophysics Data System (ADS)

He, Anqi; Kang, Xiaoyan; Xu, Yizhuang; Noda, Isao; Ozaki, Yukihiro; Wu, Jinguang

2017-10-01

The interaction between berberine chloride and β-cyclodextrin (β-CyD) is investigated via 2D asynchronous UV-Vis spectrum. The occurrence of cross peaks around (420 nm, 420 nm) in 2D asynchronous spectrum reveals that specific intermolecular interaction indeed exists between berberine chloride and β-CyD. In spite of the difficulty caused by overlapping of cross peaks, we manage to confirm that the 420 nm band of berberine undergoes a red-shift, and its bandwidth decreases under the interaction with β-CyD. The red-shift of the 420 nm band that can be assigned to n-π* transition indicates the environment of berberine becomes more hydrophobic. The above spectral behavior is helpful in understanding why the solubility of berberine is enhanced by β-CyD.

Synthesis, structural characterization and DFT calculation on a square-planar Ni(II) complex of a compartmental Schiff base ligand

NASA Astrophysics Data System (ADS)

Biswas, Surajit; Dolai, Malay; Dutta, Arpan; Ali, Mahammad

2016-12-01

Reaction of a symmetric compartmental Schiff-base ligand, (H2L) with nickel(II) perchlorate hexahydrate in 1:1 M ratio in methanol gives rise to a mononuclear nickel(II) compound, NiL (1). The compound has been characterized by C, H, N microanalyses and UV-Vis spectra. The single crystal X-ray diffraction studies reveal a square planar geometry around the Ni(II) center. The compound crystallizes in monoclinic system with space group C2/c with a = 21.6425(6), b = 9.9481(3), c = 13.1958(4) Å, β = 107.728(2)°, V = 2706.16(14) Å3 and Z = 4. Ground state DFT optimization and TDDFT calculations on the ligand and complex were performed to get their UV-Vis spectral pattern.

A novel mixed-metal borate with large [B12O18(OH)6]6- motif: Synthesis, structure and property

NASA Astrophysics Data System (ADS)

Wei, Li; Pan, Jie; Xue, Zhen-Zhen; Wang, Guo-Ming; Wang, Ying-Xia

2018-01-01

A new mixed-metal polyborate, Na5Li[B12O18(OH)6]·2H2O (1), has been synthesized using solvothermal method and characterized by IR spectroscopy, thermogravimetric analysis, UV-Vis spectroscopy, powder and single-crystal X-ray diffraction, respectively. It crystallizes in the trigonal space group R-3c (No. 167) with unit cell parameters of a = b = 9.6767(6) Å, c = 36.358(5) Å, and Z = 6. Its structure features unprecedented 3D framework constructed from novel honeycomb-shaped inorganic Na-O sheets with unique 12-MR sodium rings and supramolecular polyborate 2D layers of lithium-centered [B12O18(OH)6]6-. UV-Vis spectral characterization indicates that compound 1 is a wide-band-gap semiconductor.

3-[(E)-(acridin-9‧-ylmethylidene)amino]-1-substituted thioureas and their biological activity

NASA Astrophysics Data System (ADS)

Bečka, Michal; Vilková, Mária; Salem, Othman; Kašpárková, Jana; Brabec, Viktor; Kožurková, Mária

2017-06-01

This paper describes the synthesis of a novel series of acridine thiosemicarbazones through a two-step reaction between various isothiocyanates and hydrazine followed by treatment with acridin-9-carbaldehyde. The properties of this series of seven new derivatives are studied using NMR and biochemical techniques, and the DNA-binding properties of the compounds are determined using spectrophotometric studies (UV-vis absorption, fluorescence, and circular/linear dichroism) and viscometry. The binding constants K are estimated as being in the range of 2.2 to 7.8 × 104 M- 1 and the percentage of hypochromism was found to be 22.11-49.75% (from UV-vis spectral titration). Electrophoretic experiments prove that the novel compounds demonstrate moderate inhibitory effects against Topo I activity at a concentration of 60 × 10- 6 M.

Structure of poly(ethylene glycol)-modified horseradish peroxidase in organic solvents: infrared amide I spectral changes upon protein dehydration are largely caused by protein structural changes and not by water removal per se.

PubMed Central

Al-Azzam, Wasfi; Pastrana, Emil A; Ferrer, Yancy; Huang, Qing; Schweitzer-Stenner, Reinhard; Griebenow, Kai

2002-01-01

Fourier transform infrared (FTIR) spectroscopy has emerged as a powerful tool to guide the development of stable lyophilized protein formulations by providing information on the structure of proteins in amorphous solids. The underlying assumption is that IR spectral changes in the amide I and III region upon protein dehydration are caused by protein structural changes. However, it has been claimed that amide I IR spectral changes could be the result of water removal per se. Here, we investigated whether such claims hold true. The structure of horseradish peroxidase (HRP) and poly(ethylene glycol)-modified HRP (HRP-PEG) has been investigated under various conditions (in aqueous solution, the amorphous dehydrated state, and dissolved/suspended in toluene and benzene) by UV-visible (UV-Vis), FTIR, and resonance Raman spectroscopy. The resonance Raman and UV-Vis spectra of dehydrated HRP-PEG dissolved in neat toluene or benzene were very similar to that of HRP in aqueous buffer, and thus the heme environment (heme iron spin, coordination, and redox state) was essentially the same under both conditions. Therefore, the three-dimensional structure of HRP-PEG dissolved in benzene and toluene was similar to that in aqueous solution. The amide I IR spectra of HRP-PEG in aqueous buffer and of dehydrated HRP-PEG dissolved in neat benzene and toluene were also very similar, and the secondary structure compositions (percentages of alpha-helices and beta-sheets) were within the standard error the same. These results are irreconcilable with recent claims that water removal per se could cause substantial amide I IR spectral changes (M. van de Weert, P.I. Haris, W.E. Hennink, and D.J. Crommelin. 2001. Anal. Biochem. 297:160-169). On the contrary, amide I IR spectral changes upon protein dehydration are caused by perturbations in the secondary structure. PMID:12496131

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.

Results and Lessons from a Decade of Terra MODIS On-Orbit Spectral Characterization

NASA Technical Reports Server (NTRS)

Xiong, X.; Choi, T.; Che, N.; Wang, Z.; Dodd, J.

2010-01-01

Since its launch in December 1999, the NASA EOS Terra MODIS has successfully operated for more than a decade. MODIS makes observations in 36 spectral bands from visible (VIS) to longwave infrared (LWIR) and at three nadir spatial resolutions: 250m (2 bands), 500m (5 bands), and 1km (29 bands). In addition to its on-board calibrators designed for the radiometric calibration, MODIS was built with a unique device, called the spectro-radiometric calibration assembly (SRCA). It can be configured in three different modes: radiometric, spatial, and spectral. When it is operated in the spectral modes, the SRCA can monitor changes in Sensor spectral performance for the VIS and near-infrared (NIR) spectral bands. For more than 10 years, the SRCA operation has continued to provide valuable information for MODIS on-orbit spectral performance. This paper briefly describes SRCA on-orbit operation and calibration activities; it presents decade-long spectral characterization results for Terra MODIS VIS and NIR spectral bands in terms of chances in their center wavelengths (CW) and bandwidths (BW). It is shown that the SRCA on-orbit wavelength calibration capability remains satisfactory. For most spectral bands, the changes in CW and BW are less than 0.5 and 1 nm, respectively. Results and lessons from Terra MODIS on-orbit spectral characterization have and will continue to benefit its successor, Aqua MODIS, and other future missions.

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.

Laboratory Simulations and Spectral Analyses of Space Weathering of Non-Ice Materials on Ocean Worlds

NASA Astrophysics Data System (ADS)

Wing, B. R.; Shusterman, M. L.; Irvin, B. L.; Hibbitts, C.

2016-12-01

Airless solar system bodies are subjected to bombardment by high-energy particles from the solar wind and for Galilean satellites, from the Jovian magnetosphere. These keV-MeV electrons and ions damage the upper microns of the exposed surface, resulting in physical, chemical, and spectral alterations that may confound interpretations of mineralogical properties. We conducted experiments simulating space weathering by energetic electrons for characterizing the spectral effects from the UV through the mid-IR; wavelengths commonly used to determine compositions of airless bodies. We bombarded analog non-ice materials with 40 keV electrons under high vacuum conditions for a period of 48-96 hours at a fluence of 80 μA. Spectral measurements were obtained at UV, VIS-SWIR, and NIR-MIR ranges from 0.14-5.0 μm using a McPherson 302 monochrometer, an SVC fiber-fed point spectrometer, and a Bruker Vertex 70 FTIR, respectively. The monochrometer and FTIR measurements were obtained before, during, and after irradiation, while the sample was under vacuum at 1e-7 torr. SVC measurements were obtained in a separate apparatus under an N2-purged environment before and after irradiation. The experiments were conducted to develop a better understanding of how exposure to particulate bombardment may affect the spectral features of airless bodies and subsequent interpretation of composition. Our results characterize the spectral nature of radiation-induced color centers, or Farbe-centers, that are active in the NUV-VIS-NIR wavelength range and inactive in the SWIR-MIR wavelength range. We confirmed the discoloration is due to the formation of F-centers rather than trace contamination such as iron, by analyzing samples under scanning electron microscope and X-ray spectrometer.

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.

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.

The Mineralogy of the Youngest Lunar Basalts

NASA Astrophysics Data System (ADS)

Staid, M. I.; Pieters, C. M.

1999-01-01

The last stage of lunar volcanism produced spectrally distinct basalts on the western nearside of the Moon, which remain unsampled by landing missions. The spectral properties of these late-stage basalts are examined using high-spatial-resolution Clementine images to constrain their mineralogic composition. The young high-Ti basalts in the western Procellarum and Imbrium Basins display a significantly stronger ferrous absorption than earlier mare basalts, suggesting that they may be the most Fe-rich deposits on the Moon. The distinct long-wavelength shape of this ferrous absorption is found to be similar for surface soils and materials excavated from depth. The pervasive character of this absorption feature supports the interpretation of abundant olivine within these late-stage lunar deposits. Important distinctions exist between the early-stage eastern maria and the late-stage western basalts, even though both appear to be Ti-rich. For example, the western maria are more radiogenic than eastern deposits. Telescopic spectra of the high-Ti western maria also exhibit a unique combination of a strong 1 micron feature and a relatively weak or attenuated 2-micron absorption. Pieters et al. concluded that the unusual strength and shape of the 1-micron absorption in western basalts results from an additional absorption from abundant olivine and/or Fe-bearing glass. Either mineralogy could produce the strong long wavelength 1-micron band, but a glassy Fe-rich surface could only form by rapid cooling along the exterior surfaces of flows. Clementine UV-VIS data of late-stage basalts are examined for regions in Oceanus Procellarum and Mare Imbrium. The spectral properties of western regions are compared to the sampled Apollo 11 basalts in Mare Tranquillitatis, which contain similar albedos and UV-VIS spectral properties. For reference, the western basalts are also compared to the low-Ti and Fe-rich basalts in Mare Serenitatis (mISP). Serenitatis basalts have the strongest mafic absorption of any eastern nearside maria in Clementine imagery. Unlike previous Earth-based and Galileo imagery, Clementine data resolve the spectral properties of immature crater deposits small enough to sample individual volcanic flows. A strategy has been developed to reevaluate lunar basalt types using Clementine imagery of such fresh mare craters and their associated soils. To allow direct comparisons between regions, scatter plots of useful spectral parameters were constructed by sampling a fixed number of evenly spaced pixels from each mare region. Scatter plots comparing the mare study areas are shown. Since mature soils dominate the surfaces exposed, the density distribution of each data cloud has been presented after a root stretch to enhance the visibility of the less-abundant immature materials. Five-color spectra were also collected for all fresh craters within each mare region and grouped according to size. The UV-VIS ratio has been used extensively to estimate Ti in mature soils and plots of this parameter against 0.75-micron reflectance are included for each mare region. The UV-VIS ratio coupled with the 0.75-micron parameter has been applied more recently to estimate Ti content across many lunar materials. High-Ti basalts plot in the upper left portion because of their low-albedo and high-UV-VIS ratio values. Clementine UV-VIS ratio values for the Procellarum HDSA unit are similar to, but slightly lower than, HDWA Apollo 11 basalts. These values are consistent with previous evaluations of the western high Ti basalts using telescopic and Apollo gamma-ray data, which suggest only a minor difference in TiO, contents between these mare deposits. The Imbrium hDSA and Serenitatis mISP basalts are seen to be progressively less dark and blue, consistent with the previously noted decreasing amount of weight percent TiO2. The scatter plot captures the micron absorption strength and albedo of large areas for each study region over a range of optical maturities. This scatter plot allows trends related to maturity to be evaluated. Materials whose soil surfaces have not achieved optical maturity are slightly brighter and display a stronger ferrous band. For each basalt type, the result is a roughly parallel range of values for these spectral parameters forming a distinct "weathering cloud" of data. The western HDSA and hDSA basalts, show a much stronger mafic ratio than the Tranquillitatis basalts for both mature soils and immature crater materials. Despite a higher abundance of opaques (which should subdue absorption features) the western HDSA and hDSA mare units also exhibit a stronger mafic ratio than the Fe-rich Serenitatis basalts. These combined properties indicate an exceptionally high abundance of mafic minerals and suggest that the Eratosthenian deposits within Procellarum may be the most Fe-rich basalts extruded on the surface of the Moon. It is difficult to estimate the FeO content of these young basalts since returned samples demonstrate that all lunar soils contain a fraction of foreign materials and mare soils have a lower weight percent FeO than their associated basalts. We are in the process of considering such sample information and mixing issues in order to estimate the actual FeO abundances of the mafic-rich western basalts. Regions that represent the most immature materials within each mare area were selected by identifying pixels that correspond to the lower-right limit of each mare unit's 1 micron vs. 0.75 micron scatter plot cloud. These spectra, shown, allow comparisons of the strong ferrous absorption for the most crystalline materials within each basalt type. The shape of the 1 micron feature is much flatter and centered at a longer wavelength in the spectra of the western Procellarum basalts compared to the eastern Serenitatis and Tranquillitatis basalts. Additional information contained in original.

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 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.

Novel selective and sensitive optical chemosensor based on phenylfluorone derivative for detection of Ge(IV) ion in aqueous solution.

PubMed

Keawwangchai, Somchai; Morakot, Nongnit; Keawwangchai, Tasawan

2018-09-05

A water soluble chemosensor for Ge 4+ ion based on fluorone derivative containing 3,4-bis(2-(diethylamino)-2-oxoethoxy)phenyl (R8) has been synthesized. The binding abilities between R8 and 10 equiv. of Na + , K + , Ca 2+ , Fe 2+ , Cu 2+ , Cd 2+ , Hg 2+ , Pb 2+ , Al 3+ , Cr 3+ , Fe 3+ and Ge 4+ ions in 1% v/v EtOH-water (tris-buffer pH 7.0) were studied using UV-vis and fluorescence spectrophotometry. When observed by naked-eyes, the color of R8 changed from yellow-orange to pink and the fluorescent color changed from green to non-fluorescence when complexed with Ge 4+ ion. The spectral analysis showed that UV-vis absorption and fluorescence emission intensity of R8 decreased dramatically when Ge 4+ ion was added comparing with other ions. To explain this behavior, the quantum calculation was performed using the hybrid density functional at B3LYP /LanL2DZ level of theory. The calculated orbital energies indicated that the decreasing of UV-vis absorption and the quenching of fluorescence were due to the complexation induced metal to ligand charge transfer. The association constants (K a ) of R8-Ge 4+ complexes calculated from Benesi-Hildebrand equation was 6.21 × 10 5  M -1 . The UV-vis detection limit for Ge 4+ was 4.40 × 10 -7  M which was three orders of magnitude lower than those of Al 3+ , Cd 2+ , Cu 2+ and Na + ion. Copyright © 2018 Elsevier B.V. All rights reserved.

A multifunctional setup to record FTIR and UV-vis spectra of organic molecules and their photoproducts in astronomical ices.

PubMed

Kofman, V; Witlox, M J A; Bouwman, J; Ten Kate, I L; Linnartz, H

2018-05-01

This article describes a new, multi-functional, high-vacuum ice setup that allows to record the in situ and real-time spectra of vacuum UV (VUV)-irradiated non-volatile molecules embedded in a low-temperature (10 K) amorphous solid water environment. Three complementary diagnostic tools-UV-visible (UV-vis) and Fourier Transform Infrared (FTIR) spectroscopy and temperature-programmed desorption quadrupole mass spectrometry-can be used to simultaneously study the physical and chemical behavior of the organic molecules in the ice upon VUV irradiation. The setup is equipped with a temperature-controlled sublimation oven that enables the controlled homogeneous deposition of solid species such as amino acids, nucleobases, and polycyclic aromatic hydrocarbons (PAHs) in ice mixtures prepared from precursor gases and/or liquids. The resulting ice is photo-processed with a microwave discharge hydrogen lamp, generating VUV radiation with a spectral energy distribution representative for the interstellar medium. The characteristics, performance, and future potential of the system are discussed by describing three different applications. First, a new method is introduced, which uses broadband interference transmission fringes recorded during ice deposition, to determine the wavelength-dependent refractive index, n λ , of amorphous solid water. This approach is also applicable to other solids, pure and mixed. Second, the UV-vis and FTIR spectroscopy of an VUV-irradiated triphenylene:water ice mixture is discussed, monitoring the ionization efficiency of PAHs in interstellar ice environments. The third and final example investigates the stability of solid glycine upon VUV irradiation by monitoring the formation of dissociation products in real time.

A multifunctional setup to record FTIR and UV-vis spectra of organic molecules and their photoproducts in astronomical ices

NASA Astrophysics Data System (ADS)

Kofman, V.; Witlox, M. J. A.; Bouwman, J.; ten Kate, I. L.; Linnartz, H.

2018-05-01

This article describes a new, multi-functional, high-vacuum ice setup that allows to record the in situ and real-time spectra of vacuum UV (VUV)-irradiated non-volatile molecules embedded in a low-temperature (10 K) amorphous solid water environment. Three complementary diagnostic tools—UV-visible (UV-vis) and Fourier Transform Infrared (FTIR) spectroscopy and temperature-programmed desorption quadrupole mass spectrometry—can be used to simultaneously study the physical and chemical behavior of the organic molecules in the ice upon VUV irradiation. The setup is equipped with a temperature-controlled sublimation oven that enables the controlled homogeneous deposition of solid species such as amino acids, nucleobases, and polycyclic aromatic hydrocarbons (PAHs) in ice mixtures prepared from precursor gases and/or liquids. The resulting ice is photo-processed with a microwave discharge hydrogen lamp, generating VUV radiation with a spectral energy distribution representative for the interstellar medium. The characteristics, performance, and future potential of the system are discussed by describing three different applications. First, a new method is introduced, which uses broadband interference transmission fringes recorded during ice deposition, to determine the wavelength-dependent refractive index, nλ, of amorphous solid water. This approach is also applicable to other solids, pure and mixed. Second, the UV-vis and FTIR spectroscopy of an VUV-irradiated triphenylene:water ice mixture is discussed, monitoring the ionization efficiency of PAHs in interstellar ice environments. The third and final example investigates the stability of solid glycine upon VUV irradiation by monitoring the formation of dissociation products in real time.

Synthesis of metal complexes involving Schiff base ligand with methylenedioxy moiety: spectral, thermal, XRD and antimicrobial studies.

PubMed

Sundararajan, M L; Jeyakumar, T; Anandakumaran, J; Karpanai Selvan, B

2014-10-15

Metal complexes of Zn(II), Cd(II), Ni(II), Cu(II), Fe(III), Co(II), Mn(II) Hg(II), and Ag(I) have been synthesized from Schiff base ligand, prepared by the condensation of 3,4-(methylenedioxy)aniline and 5-bromo salicylaldehyde. All the compounds have been characterized by using elemental analysis, molar conductance, FT-IR, UV-Vis, (1)H NMR, (13)C NMR, mass spectra, powder XRD and thermal analysis (TG/DTA) technique. The elemental analysis suggests the stoichiometry to be 1:1 (metal:ligand). The FT-IR, (1)H NMR, (13)C NMR and UV-Vis spectral data suggest that the ligand coordinate to the metal atom by imino nitrogen and phenolic oxygen as bidentate manner. Mass spectral data further support the molecular mass of the compounds and their structure. Powder XRD indicates the crystalline state and morphology of the ligand and its metal complexes. The thermal behaviors of the complexes prove the presence of lattice as well as coordinated water molecules in the complexes. Melting point supports the thermal stability of all the compounds. The in vitro antimicrobial effects of the synthesized compounds were tested against five bacterial and three fungal species by well diffusion method. Antioxidant activities have also been performed for all the compounds. Metal complexes show more biological activity than the Schiff base. 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.

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

Doménech, J. L.; Herrero, V. J.; Tanarro, I.

The chloroniumyl cation, HCl{sup +}, has been recently identified in space from Herschel 's spectra. A joint analysis of extensive vis-UV spectroscopy emission data together with a few high-resolution and high-accuracy millimeter-wave data provided the necessary rest frequencies to support the astronomical identification. Nevertheless, the analysis did not include any infrared (IR) vibration–rotation data. Furthermore, with the end of the Herschel mission, IR observations from the ground may be one of the few available means to further study this ion in space. In this work, we provide a set of accurate rovibrational transition wavenumbers, as well as a new andmore » improved global fit of vis-UV, IR, and millimeter-wave spectroscopy laboratory data, that will aid in future studies of this molecule.« less

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.

Investigation on intermolecular interaction between berberine and β-cyclodextrin by 2D UV-Vis asynchronous spectra.

PubMed

He, Anqi; Kang, Xiaoyan; Xu, Yizhuang; Noda, Isao; Ozaki, Yukihiro; Wu, Jinguang

2017-10-05

The interaction between berberine chloride and β-cyclodextrin (β-CyD) is investigated via 2D asynchronous UV-Vis spectrum. The occurrence of cross peaks around (420nm, 420nm) in 2D asynchronous spectrum reveals that specific intermolecular interaction indeed exists between berberine chloride and β-CyD. In spite of the difficulty caused by overlapping of cross peaks, we manage to confirm that the 420nm band of berberine undergoes a red-shift, and its bandwidth decreases under the interaction with β-CyD. The red-shift of the 420nm band that can be assigned to n-π* transition indicates the environment of berberine becomes more hydrophobic. The above spectral behavior is helpful in understanding why the solubility of berberine is enhanced by β-CyD. Copyright © 2017. Published by Elsevier B.V.

UV-Vis absorption spectra and electronic structure of merocyanines in the gas phase

NASA Astrophysics Data System (ADS)

Ishchenko, Alexander A.; Kulinich, Andrii V.; Bondarev, Stanislav L.; Raichenok, Tamara F.

2018-02-01

Gas-phase absorption spectra of a merocyanine vinylogous series have been studied for the first time. In vapour, their long-wavelength absorption bands were found to be considerably shifted hypsochromically, broader, more symmetrical, less intense, and their vinylene shift much smaller than even in low-polarity n-hexane. This indicates that in the gas phase their electronic structure closely approaches the nonpolar polyene limiting structure. The TDDFT calculations of the long-wavelength electronic transitions in the studied merocyanines in vacuo demonstrated good-to-excellent correlation - depending on the functional used - with the obtained experimental data. For comparison, the solvent effects was accounted for using the polarizable continuum model (PCM) with n-hexane and ethanol as low-polarity and high-polarity media, and compared with the UV-Vis spectral data in these solvents. In this case, the discrepancy between theory and experiment was much greater, increasing at that with the polymethine chain length.

Analysis of laser printer and photocopier toners by spectral properties and chemometrics

NASA Astrophysics Data System (ADS)

Verma, Neha; Kumar, Raj; Sharma, Vishal

2018-05-01

The use of printers to generate falsified documents has become a common practice in today's world. The examination and identification of the printed matter in the suspected documents (civil or criminal cases) may provide important information about the authenticity of the document. In the present study, a total number of 100 black toner samples both from laser printers and photocopiers were examined using diffuse reflectance UV-Vis Spectroscopy. The present research is divided into two parts; visual discrimination and discrimination by using multivariate analysis. A comparison between qualitative and quantitative analysis showed that multivariate analysis (Principal component analysis) provides 99.59%pair-wise discriminating power for laser printer toners while 99.84% pair-wise discriminating power for photocopier toners. The overall results obtained confirm the applicability of UV-Vis spectroscopy and chemometrics, in the nondestructive analysis of toner printed documents while enhancing their evidential value for forensic applications.

Impurity profiling of liothyronine sodium by means of reversed phase HPLC, high resolution mass spectrometry, on-line H/D exchange and UV/Vis absorption.

PubMed

Ruggenthaler, M; Grass, J; Schuh, W; Huber, C G; Reischl, R J

2017-09-05

For the first time, a comprehensive investigation of the impurity profile of the synthetic thyroid API (active pharmaceutical ingredient) liothyronine sodium (LT 3 Na) was performed by using reversed phase HPLC and advanced structural elucidation techniques including high resolution tandem mass spectrometry (HRMS/MS) and on-line hydrogen-deuterium (H/D) exchange. Overall, 39 compounds were characterized and 25 of these related substances were previously unknown to literature. The impurity classification system recently developed for the closely related API levothyroxine sodium (LT 4 Na) could be applied to the newly characterized liothyronine sodium impurities resulting in a wholistic thyroid API impurity classification system. Furthermore, the mass-spectrometric CID-fragmentation of specific related substances was discussed and rationalized by detailed fragmentation pathways. Moreover, the UV/Vis absorption characteristics of the API and selected impurities were investigated to corroborate chemical structure assignments derived from MS data. Copyright © 2017 Elsevier B.V. All rights reserved.

Electrochemical and spectroscopic study on the interaction between isoprenaline and DNA using multivariate curve resolution-alternating least squares.

PubMed

Ni, Yongnian; Wei, Min; Kokot, Serge

2011-11-01

Interaction of isoprenaline (ISO) with calf-thymus DNA was studied by spectroscopic and electrochemical methods. The behavior of ISO was investigated at a glassy carbon electrode (GCE) by cyclic voltammetry (CV) and differential pulse stripping voltammetry (DPSV); ISO was oxidized and an irreversible oxidation peak was observed. The binding constant K and the stoichiometric coefficient m of ISO with DNA were evaluated. Also, with the addition of DNA, hyperchromicity of the UV-vis absorption spectra of ISO was noted, while the fluorescence intensity decreased significantly. Multivariate curve resolution-alternating least squares (MCR-ALS) chemometrics method was applied to resolve the combined spectroscopic data matrix, which was obtained by the UV-vis and fluorescence methods. Pure spectra of ISO, DNA and ISO-DNA complex, and their concentration profiles were then successfully obtained. The results indicated that the ISO molecule intercalated into the base-pairs of DNA, and the complex of ISO-DNA was formed. Copyright © 2011 Elsevier B.V. All rights reserved.

Efficiency enhancement of ZnO nanostructure assisted Si solar cell based on fill factor enlargement and UV-blue spectral down-shifting

NASA Astrophysics Data System (ADS)

Gholizadeh, A.; Reyhani, A.; Parvin, P.; Mortazavi, S. Z.

2017-05-01

ZnO nanostructures (including nano-plates and nano-rods (NRs)) are grown in various temperatures and Ar/O2 flow rates using thermal chemical vapor deposition, which affect the structure, nano-plate/NR population, and the quality of ZnO nanostructures. X-ray diffraction (XRD) attests that the peak intensity of the crystallographic plane (1 0 0) is correlated to nano-plate abundance. Moreover, optical properties elucidate that the population of nano-plates in samples strongly affect the band gap, binding energy of the exciton, and UV-visible (UV-vis) absorption and spectral luminescence emissions. In fact, the exciton binding energy reduces from ~100 to 80 meV when the population of nano-plates increases in samples. Photovoltaic characteristics based on the drop-casting on Si solar cells reveals three dominant factors, namely, the equivalent series resistance, decreasing reflectance, and down-shifting, in order to scale up the absolute efficiency by 3%. As a consequence, the oxygen vacancies in ZnO nanostructures give rise to the down-shifting and increase of free-carriers, leading to a reduction in the equivalent series resistance and an enlargement of fill factor. To obtain a larger I sc, reduction of spectral reflectance is essential; however, the down-shifting process is shown to be dominant by lessening the surface electron-hole recombination rate over the UV-blue spectral range.

Assessment of Transition Element Speciation in Glasses Using a Portable Transmission Ultraviolet-Visible-Near-Infrared (UV-Vis-NIR) Spectrometer.

PubMed

Hunault, Myrtille; Lelong, Gérald; Gauthier, Michel; Gélébart, Frédéric; Ismael, Saindou; Galoisy, Laurence; Bauchau, Fanny; Loisel, Claudine; Calas, Georges

2016-05-01

A new low-cost experimental setup based on two compact dispersive optical spectrometers has been developed to measure optical absorption transmission spectra over the 350-2500 nm energy range. We demonstrate how near-infrared (NIR) data are essential to identify the coloring species in addition to ultraviolet visible data. After calibration with reference glasses, the use of an original sample stage that maintains the window panel in the vertical position enables the comparison of ancient and modern glasses embedded in a panel from the Sainte-Chapelle of Paris, without any sampling. The spectral resolution enables to observe fine resonances arising in the absorption bands of Cr(3+), and the complementary information obtained in the NIR enables to determine the contribution of Fe(2+), a key indicator of glassmaking conditions. © The Author(s) 2016.

Crystal structure, thermal and optical properties of Benzimidazole benzimidazolium picrate crystal

NASA Astrophysics Data System (ADS)

Jagadesan, A.; Peramaiyan, G.; Srinivasan, T.; Kumar, R. Mohan; Arjunan, S.

2016-02-01

A new organic framework of benzimidazole with picric acid has been synthesized. A single crystal with a size of 38×10×4 mm3 was grown by a slow evaporation solution growth technique. X-ray diffraction study revealed that the BZP crystal belongs to triclinic system with space group P-1. High resolution X-ray diffraction study shows the absence of grain boundaries without any defects. The thermal stability and specific heat capacity of BZP were investigated by TG/DT and TG/DSC analyses. From the UV-vis-NIR spectral study, optical transmission window and band gap of BZP were found out. The nonlinear refractive index (n2) and third order susceptibility Re(χ(3)) values of BZP crystal are estimated to be 1.73×10-7 cm2/W and 1.26×10-5 esu, respectively using a Z-scan technique.

Gyrocopter-Based Remote Sensing Platform

NASA Astrophysics Data System (ADS)

Weber, I.; Jenal, A.; Kneer, C.; Bongartz, J.

2015-04-01

In this paper the development of a lightweight and highly modularized airborne sensor platform for remote sensing applications utilizing a gyrocopter as a carrier platform is described. The current sensor configuration consists of a high resolution DSLR camera for VIS-RGB recordings. As a second sensor modality, a snapshot hyperspectral camera was integrated in the aircraft. Moreover a custom-developed thermal imaging system composed of a VIS-PAN camera and a LWIR-camera is used for aerial recordings in the thermal infrared range. Furthermore another custom-developed highly flexible imaging system for high resolution multispectral image acquisition with up to six spectral bands in the VIS-NIR range is presented. The performance of the overall system was tested during several flights with all sensor modalities and the precalculated demands with respect to spatial resolution and reliability were validated. The collected data sets were georeferenced, georectified, orthorectified and then stitched to mosaics.

Sentinel-5 instrument: status of design, performance, and development

NASA Astrophysics Data System (ADS)

Gühne, T.; Keim, C.; Bartsch, P.; Weiß, S.; Melf, M.; Seefelder, W.

2017-09-01

The Sentinel-5 instrument is currently under development by a consortium led by Airbus Defence and Space in the frame of the European Union Copernicus program. It is a customer furnished item to the MetOp Second Generation satellite platform, which will provide operational meteorological data for the coming decades. Mission objective of the Sentinel-5 is to monitor the composition of the Earth atmosphere for Copernicus Atmosphere Services by taking measurements of trace gases and aerosols impacting air quality and climate with high resolution and daily global coverage. Therefore the Sentinel-5 provides five dispersive spectrometers covering the UV-VIS (270…500 nm), NIR (685 …773 nm) and SWIR (1590…1675 and 2305…2385 nm) spectral bands with resolutions <=1nm. Spatially the Sentinel-5 provides a 108° field of view with a ground sampling of 7.5 x 7 km2 at Nadir. The development program is post PDR and the build-up of the industrial team is finalised. We report on the instrument architecture and design derived from the driving requirements, the predicted instrument performance, and the general status of the program.

Intercomparison of spectral irradiance measurements and provision of alternative radiation scheme for CCMs of middle atmosphere

NASA Astrophysics Data System (ADS)

Pagaran, Joseph; Weber, Mark; Burrows, John P.

The Sun's radiative output (total solar irradiance or TSI) determines the thermal structure of the Earth's atmosphere. Its variability is a strong function of wavelength, which drives the photochemistry and general circulation. Contributions to TSI variability from UV wavelengths below 400 nm, i.e. 0.227-day solar rotation or 0.1to be in the 40-60three decades of UV and about a decade of vis-IR observations. Significant progress in UV/vis-IR regions has been achieved with daily monitoring from SCIAMACHY aboard Envisat (ESA) in 2002 and by SIM aboard SORCE (NASA) about a year after. In this contribution, we intercompare SSI measurements from SCIAMACHY and SIM and RGB filters of SPM/VIRGO SoHO: same (a) day and (b) few 27-day time series of spectral measurements in both irradiance and integrated irradiance over selected wavelength intervals. Finally, we show how SSI measurements from GOME, SOLSTICE, in addition to SCIAMACHY and SIM, can be modeled together with solar proxies F10.7 cm, Mg II and sunspot index (PSI) to derive daily SSI variability in the period 1947-2008. The derived variabilities are currently being used as solar input to Bremen's 3D-CTM and are to be recommended as extended alternative to Berlin's FUBRaD radiation scheme. This proxy-based radiation scheme are compared with SATIRE, NRLSSI (or Lean et al.), SUSIM, SSAI (or DeLand et al), and SIP (or Solar2000) models. The use of realistic spectrally resolved solar input to CCMs is to better understand the effects of solar variability on chemistry and temperature in the middle atmosphere over several decades.

Laser-induced optical breakdown spectroscopy of polymer materials based on evaluation of molecular emission bands

NASA Astrophysics Data System (ADS)

Trautner, Stefan; Jasik, Juraj; Parigger, Christian G.; Pedarnig, Johannes D.; Spendelhofer, Wolfgang; Lackner, Johannes; Veis, Pavel; Heitz, Johannes

2017-03-01

Laser-induced breakdown spectroscopy (LIBS) for composition analysis of polymer materials results in optical spectra containing atomic and ionic emission lines as well as molecular emission bands. In the present work, the molecular bands are analyzed to obtain spectroscopic information about the plasma state in an effort to quantify the content of different elements in the polymers. Polyethylene (PE) and a rubber material from tire production are investigated employing 157 nm F2 laser and 532 nm Nd:YAG laser ablation in nitrogen and argon gas background or in air. The optical detection reaches from ultraviolet (UV) over the visible (VIS) to the near infrared (NIR) spectral range. In the UV/VIS range, intense molecular emissions, C2 Swan and CN violet bands, are measured with an Echelle spectrometer equipped with an intensified CCD camera. The measured molecular emission spectra can be fitted by vibrational-rotational transitions by open access programs and data sets with good agreement between measured and fitted spectra. The fits allow determining vibrational-rotational temperatures. A comparison to electronic temperatures Te derived earlier from atomic carbon vacuum-UV (VUV) emission lines show differences, which can be related to different locations of the atomic and molecular species in the expanding plasma plume. In the NIR spectral region, we also observe the CN red bands with a conventional CDD Czerny Turner spectrometer. The emission of the three strong atomic sulfur lines between 920 and 925 nm is overlapped by these bands. Fitting of the CN red bands allows a separation of both spectral contributions. This makes a quantitative evaluation of sulfur contents in the start material in the order of 1 wt% feasible.

Clementine High Resolution Camera Mosaicking Project

NASA Technical Reports Server (NTRS)

1998-01-01

This report constitutes the final report for NASA Contract NASW-5054. This project processed Clementine I high resolution images of the Moon, mosaicked these images together, and created a 22-disk set of compact disk read-only memory (CD-ROM) volumes. The mosaics were produced through semi-automated registration and calibration of the high resolution (HiRes) camera's data against the geometrically and photometrically controlled Ultraviolet/Visible (UV/Vis) Basemap Mosaic produced by the US Geological Survey (USGS). The HiRes mosaics were compiled from non-uniformity corrected, 750 nanometer ("D") filter high resolution nadir-looking observations. The images were spatially warped using the sinusoidal equal-area projection at a scale of 20 m/pixel for sub-polar mosaics (below 80 deg. latitude) and using the stereographic projection at a scale of 30 m/pixel for polar mosaics. Only images with emission angles less than approximately 50 were used. Images from non-mapping cross-track slews, which tended to have large SPICE errors, were generally omitted. The locations of the resulting image population were found to be offset from the UV/Vis basemap by up to 13 km (0.4 deg.). Geometric control was taken from the 100 m/pixel global and 150 m/pixel polar USGS Clementine Basemap Mosaics compiled from the 750 nm Ultraviolet/Visible Clementine imaging system. Radiometric calibration was achieved by removing the image nonuniformity dominated by the HiRes system's light intensifier. Also provided are offset and scale factors, achieved by a fit of the HiRes data to the corresponding photometrically calibrated UV/Vis basemap, that approximately transform the 8-bit HiRes data to photometric units. The sub-polar mosaics are divided into tiles that cover approximately 1.75 deg. of latitude and span the longitude range of the mosaicked frames. Images from a given orbit are map projected using the orbit's nominal central latitude. Polar mosaics are tiled into squares 2250 pixels on a side, which spans approximately 2.2 deg. Two mosaics are provided for each pole: one corresponding to data acquired while periapsis was in the south, the other while periapsis was in the north. The CD-ROMs also contain ancillary data files that support the HiRes mosaic. These files include browse images with UV/Vis context stored in a Joint Photographic Experts Group (JPEG) format, index files ('imgindx.tab' and 'srcindx.tab') that tabulate the contents of the CD, and documentation files.

Remote sensing of the Canadian Arctic: Modelling biophysical variables

NASA Astrophysics Data System (ADS)

Liu, Nanfeng

It is anticipated that Arctic vegetation will respond in a variety of ways to altered temperature and precipitation patterns expected with climate change, including changes in phenology, productivity, biomass, cover and net ecosystem exchange. Remote sensing provides data and data processing methodologies for monitoring and assessing Arctic vegetation over large areas. The goal of this research was to explore the potential of hyperspectral and high spatial resolution multispectral remote sensing data for modelling two important Arctic biophysical variables: Percent Vegetation Cover (PVC) and the fraction of Absorbed Photosynthetically Active Radiation (fAPAR). A series of field experiments were conducted to collect PVC and fAPAR at three Canadian Arctic sites: (1) Sabine Peninsula, Melville Island, NU; (2) Cape Bounty Arctic Watershed Observatory (CBAWO), Melville Island, NU; and (3) Apex River Watershed (ARW), Baffin Island, NU. Linear relationships between biophysical variables and Vegetation Indices (VIs) were examined at different spatial scales using field spectra (for the Sabine Peninsula site) and high spatial resolution satellite data (for the CBAWO and ARW sites). At the Sabine Peninsula site, hyperspectral VIs exhibited a better performance for modelling PVC than multispectral VIs due to their capacity for sampling fine spectral features. The optimal hyperspectral bands were located at important spectral features observed in Arctic vegetation spectra, including leaf pigment absorption in the red wavelengths and at the red-edge, leaf water absorption in the near infrared, and leaf cellulose and lignin absorption in the shortwave infrared. At the CBAWO and ARW sites, field PVC and fAPAR exhibited strong correlations (R2 > 0.70) with the NDVI (Normalized Difference Vegetation Index) derived from high-resolution WorldView-2 data. Similarly, high spatial resolution satellite-derived fAPAR was correlated to MODIS fAPAR (R2 = 0.68), with a systematic overestimation of 0.08, which was attributed to PAR absorption by soil that could not be excluded from the fAPAR calculation. This research clearly demonstrates that high spectral and spatial resolution remote sensing VIs can be used to successfully model Arctic biophysical variables. The methods and results presented in this research provided a guide for future studies aiming to model other Arctic biophysical variables through remote sensing data.

Creating Fidelitious Climate Data Records from Meteosat First Generation Observations

NASA Astrophysics Data System (ADS)

Quast, Ralf; Govaerts, Yves; Ruthrich, Frank; Giering, Ralf; Roebeling, Rob

2016-08-01

A novel method for reconstructing the spectral response function of the Meteosat visible (VIS) channels is presented and applied to the Meteosat-10 Spinning Enhanced Visible and Infrared Imager (SEVIRI) high-resolution visible (HRV) channel as the first real-world benchmark. The method incorporates advanced radiative transfer modelling and inverse modelling techniques. Once established, EUMETSAT will use the reconstructed spectral response and uncertainty information to increase the calibration accuracy of Meteosat First Generation VIS observations, which will provide the basis for the Fidelity and Uncertainty in Climate data records from Earth Observations (FIDUCEO) Horizon 2020 project to produce new fundamental (reflectance) and thematic (albedo and aerosol) climate data records.

Interrelating meteorite and asteroid spectra at UV-Vis-NIR wavelengths using novel multiple-scattering methods

NASA Astrophysics Data System (ADS)

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

2017-10-01

Asteroids have remained mostly the same for the past 4.5 billion years, and provide us information on the origin, evolution and current state of the Solar System. Asteroids and meteorites can be linked by matching their respective reflectance spectra. This is difficult, because spectral features depend strongly on the surface properties, and meteorite surfaces are free of regolith dust present in asteroids. Furthermore, asteroid surfaces experience space weathering which affects their spectral features.We present a novel simulation framework for assessing the spectral properties of meteorites and asteroids and matching their reflectance spectra. The simulations are carried out by utilizing a light-scattering code that takes inhomogeneous waves into account and simulates light scattering by Gaussian-random-sphere particles large compared to the wavelength of the incident light. The code uses incoherent input and computes phase matrices by utilizing incoherent scattering matrices. Reflectance spectra are modeled by combining olivine, pyroxene, and iron, the most common materials that dominate the spectral features of asteroids and meteorites. Space weathering is taken into account by adding nanoiron into the modeled asteroid spectrum. The complex refractive indices needed for the simulations are obtained from existing databases, or derived using an optimization that utilizes our ray-optics code and the measured spectrum of the material.We demonstrate our approach by applying it to the reflectance spectrum of (4) Vesta and the reflectance spectrum of the Johnstown meteorite measured with the University of Helsinki integrating-sphere UV-Vis-NIR spectrometer.Acknowledgments. The research is funded by the ERC Advanced Grant No. 320773 (SAEMPL).

In-Scene-Based Atmospheric Correction of Uncalibrated VISible-SWIR (VIS-SWIR) Hyper- and Multispectral Imagery

DTIC Science & Technology

2008-01-01

resolution , it is very likely that near-zero reflectance values exist in each spectral channel, corresponding to the minimum data values in the scene...radiometrically uncalibrated data. Quite good agreement was previously demonstrated for the retrieved pixel spectral reflectances between QUAC and the physics...precluding the use of physics-based codes to retrieve surface reflectance. The ability to retrieve absolute spectral reflectances from such sensors

Low-cost 3D printed 1  nm resolution smartphone sensor-based spectrometer: instrument design and application in ultraviolet spectroscopy.

PubMed

Wilkes, Thomas C; McGonigle, Andrew J S; Willmott, Jon R; Pering, Tom D; Cook, Joseph M

2017-11-01

We report on the development of a low-cost spectrometer, based on off-the-shelf optical components, a 3D printed housing, and a modified Raspberry Pi camera module. With a bandwidth and spectral resolution of ≈60  nm and 1 nm, respectively, this device was designed for ultraviolet (UV) remote sensing of atmospheric sulphur dioxide (SO 2 ), ≈310  nm. To the best of our knowledge, this is the first report of both a UV spectrometer and a nanometer resolution spectrometer based on smartphone sensor technology. The device performance was assessed and validated by measuring column amounts of SO 2 within quartz cells with a differential optical absorption spectroscopy processing routine. This system could easily be reconfigured to cover other UV-visible-near-infrared spectral regions, as well as alternate spectral ranges and/or linewidths. Hence, our intention is also to highlight how this framework could be applied to build bespoke, low-cost, spectrometers for a range of scientific applications.

A combined Surface Enhanced Raman Spectroscopy (SERS)/UV-vis approach for the investigation of dye content in commercial felt tip pens inks.

PubMed

Saviello, Daniela; Trabace, Maddalena; Alyami, Abeer; Mirabile, Antonio; Giorgi, Rodorico; Baglioni, Piero; Iacopino, Daniela

2018-05-01

The development of protocols for the protection of the large patrimony of works of art created by felt tip pen media since the 1950's requires detailed knowledge of the main dyes constituting commercial ink mixtures. In this work Surface Enhanced Raman Scattering (SERS) and UV-vis spectroscopy were used for the first time for the systematic identification of dye composition in commercial felt tip pens. A large selection of pens comprising six colors of five different brands was analyzed. Intense SERS spectra were obtained for all colors, allowing identification of main dye constituents. Poinceau 4R and Eosin dyes were found to be the main constituents of red and pink colors; Rhodamine and Tartrazine were found in orange and yellow colors; Erioglaucine was found in green and blue colors. UV-vis analysis of the same inks was used to support SERS findings but also to unequivocally assign some uncertain dye identifications, especially for yellow and orange colors. The spectral data of all felt tip pens collected through this work were assembled in a database format. The data obtained through this systematic investigation constitute the basis for the assembly of larger reference databases that ultimately will support the development of conservation protocols for the long term preservation of modern art collections. Copyright © 2018 Elsevier B.V. All rights reserved.

UV/vis, 1H, and 13C NMR spectroscopic studies to determine mangiferin p Ka values

NASA Astrophysics Data System (ADS)

Gómez-Zaleta, Berenice; Ramírez-Silva, María Teresa; Gutiérrez, Atilano; González-Vergara, Enrique; Güizado-Rodríguez, Marisol; Rojas-Hernández, Alberto

2006-07-01

The acid constants of mangiferin (a natural xanthonoid) in aqueous solution were determined through an UV/vis spectroscopic study employing the SQUAD program as a computational tool. A NMR study complements the p Ka values assignment and evidences a H-bridge presence on 1-C. The chemical model used was consistent with the experimental data obtained. The p Ka values determined with this procedure were as follows: H 4(MGF) = H 3(MGF) - + H +, pK(6-H) = 6.52 ± 0.06; H 3(MGF) - = H 2(MGF) 2- + H +, pK(3-H) = 7.97 ± 0.06; H 2(MGF) 2- = H(MGF) 3- + H +, pK(7-H) = 9.44 ± 0.04; H(MGF) 3- = (MGF) 4- + H +, pK(1-H) = 12.10 ± 0.01; where it has been considered mangiferin C 19H 18O 11 as H 4(MGF). Mangiferin UV/vis spectral behavior, stability study in aqueous solution as well as NMR spectroscopy studies: one-dimensional 1H, 13C, 2D correlated 1H/ 13C performed by (g)-HSQC and (g)-HMBC methods; are also presented. p Ka values determination of H 4(MGF) in aqueous solution is a necessary contribution to subsequent pharmacokinetic study, and a step towards the understanding of its biological effects.

Structural, absorption, and molecular properties of o,o'-dihydroxyazo resorcinol dyes bearing an acryloyloxy group

NASA Astrophysics Data System (ADS)

Özkınalı, Sevil; Çavuş, M. Serdar; Ceylan, Abdullah; Gür, Mahmut

2017-12-01

To the best of our knowledge, this is the first study reporting the synthesis and characterization of o,o‧-dihydroxyazo dyes bearing an acryloyl group. The o,o‧-dihydroxyazo dyes were synthesized through coupling of resorcinol with the diazonium salts of 2-amino-4-methylphenol, 2-aminophenol, 2-amino-4-chlorophenol, and 2-amino-4-nitrophenol. Their acryloyl derivatives were synthesized using metallic sodium and acryloyl chloride under an inert atmosphere. Characterization of the compounds was conducted using infrared (IR), ultraviolet-visible (UV-vis), proton nuclear magnetic resonance (1H NMR), and carbon nuclear magnetic resonance (13C NMR) spectroscopic methods. The tautomerism of the synthesized compounds' was also evaluated. The results were compared with theoretical results obtained by density functional theory (DFT). The DFT calculations were performed to obtain ground-state optimized geometries and calculate the relevant electronic and chemical reactivity parameters. Furthermore, possible tautomers deduced from the UV-vis spectra were investigated using theoretical calculations. Both the IR and NMR spectral data showed that azo tautomers predominate in the solid state and DMSO solvent. The effects of pH, solvent, and substituent on the predominant tautomers were further investigated through UV-vis spectroscopy. The results indicate that hydrazone tautomers were dominant at pH 12 in dimethylformamide (DMF), whereas azo tautomers were dominant at pH 2 in EtOH or CHCl3.

UV spectroscopy including ISM line absorption: of the exciting star of Abell 35

NASA Astrophysics Data System (ADS)

Ziegler, M.; Rauch, T.; Werner, K.; Kruk, J. W.

Reliable spectral analysis that is based on high-resolution UV observations requires an adequate, simultaneous modeling of the interstellar line absorption and reddening. In the case of the central star of the planetary nebula Abell 35, BD-22 3467, we demonstrate our current standard spectral-analysis method that is based on the Tübingen NLTE Model-Atmosphere Package (TMAP). We present an on- going spectral analysis of FUSE and HST/STIS observations of BD-22 3467.

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.

Analysis of dust and marine aerosol optical depth spectral-curvature information in the UV to SWIR (Short Wave Infrared) wavelength regions.

NASA Astrophysics Data System (ADS)

O'Neill, N. T.; Smirnov, A.; Eck, T. F.; Sakerin, S.; Kabanov, D.

2005-12-01

Traditional sunphotometry in the UV, visible and very NIR (Near Infrared) spectral regions is weighted, in terms of spectral information content, towards sub-micron (fine mode) particles. Sunphotometry in the NIR and SWIR increases the diversity and information content of spectral aerosol optical depth (AOD) measurements for supermicron (coarse mode) particles. Two data sets representing dust aerosols from the UAE (United Arab Emirates) region and marine aerosols from the northern, tropical and southern Atlantic Ocean were analyzed in terms of their spectral curvature diversity and information content. The former data set was acquired using NIR-enhanced CIMEL sunphotometers (340, 340, 380, 440, 500, 670, 870, 1020, 1640 nm) as part of the August to October, 2004 UAE2 field campaign while the latter data set was acquired using an automated Russian UV to SWIR SP-5 sunphotometer (339, 423, 438, 484, 552, 633, 677, 777, 869, 1241, 1560, 2148, 4000 nm) as part of a October/December 2004 cruise campaign in the northern, tropical and south Atlantic Ocean. A Microtops hand-held sunphotometer was also employed to acquire VIS to NIR AOD spectra during the latter field campaign. Results will be presented in terms of robust micro-physical and spectral curvature parameters which characterize super-micron aerosols and, in a more general sense, in terms of what universal/fundamental optical inferences can be drawn from the two disperse data sets.

Optical Technologies for UV Remote Sensing Instruments

NASA Technical Reports Server (NTRS)

Keski-Kuha, R. A. M.; Osantowski, J. F.; Leviton, D. B.; Saha, T. T.; Content, D. A.; Boucarut, R. A.; Gum, J. S.; Wright, G. A.; Fleetwood, C. M.; Madison, T. J.

1993-01-01

Over the last decade significant advances in technology have made possible development of instruments with substantially improved efficiency in the UV spectral region. In the area of optical coatings and materials, the importance of recent developments in chemical vapor deposited (CVD) silicon carbide (SiC) mirrors, SiC films, and multilayer coatings in the context of ultraviolet instrumentation design are discussed. For example, the development of chemically vapor deposited (CVD) silicon carbide (SiC) mirrors, with high ultraviolet (UV) reflectance and low scatter surfaces, provides the opportunity to extend higher spectral/spatial resolution capability into the 50-nm region. Optical coatings for normal incidence diffraction gratings are particularly important for the evolution of efficient extreme ultraviolet (EUV) spectrographs. SiC films are important for optimizing the spectrograph performance in the 90 nm spectral region. The performance evaluation of the flight optical components for the Solar Ultraviolet Measurements of Emitted Radiation (SUMER) instrument, a spectroscopic instrument to fly aboard the Solar and Heliospheric Observatory (SOHO) mission, designed to study dynamic processes, temperatures, and densities in the plasma of the upper atmosphere of the Sun in the wavelength range from 50 nm to 160 nm, is discussed. The optical components were evaluated for imaging and scatter in the UV. The performance evaluation of SOHO/CDS (Coronal Diagnostic Spectrometer) flight gratings tested for spectral resolution and scatter in the DGEF is reviewed and preliminary results on resolution and scatter testing of Space Telescope Imaging Spectrograph (STIS) technology development diffraction gratings are presented.

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.

Determination of formal redox potentials in aqueous solution of copper(II) complexes with ligands having nitrogen and oxygen donor atoms and comparison with their EPR and UV-Vis spectral features.

PubMed

Tabbì, Giovanni; Giuffrida, Alessandro; Bonomo, Raffaele P

2013-11-01

Formal redox potentials in aqueous solution were determined for copper(II) complexes with ligands having oxygen and nitrogen as donor atoms. All the chosen copper(II) complexes have well-known stereochemistries (pseudo-octahedral, square planar, square-based pyramidal, trigonal bipyramidal or tetrahedral) as witnessed by their reported spectroscopic, EPR and UV-visible (UV-Vis) features, so that a rough correlation between the measured redox potential and the typical geometrical arrangement of the copper(II) complex could be established. Negative values have been obtained for copper(II) complexes in tetragonally elongated pseudo-octahedral geometries, when measured against Ag/AgCl reference electrode. Copper(II) complexes in tetrahedral environments (or flattened tetrahedral geometries) show positive redox potential values. There is a region, always in the field of negative redox potentials which groups the copper(II) complexes exhibiting square-based pyramidal arrangements. Therefore, it is suggested that a measurement of the formal redox potential could be of great help, when some ambiguities might appear in the interpretation of spectroscopic (EPR and UV-Vis) data. Unfortunately, when the comparison is made between copper(II) complexes in square-based pyramidal geometries and those in square planar environments (or a pseudo-octahedral) a little perturbed by an equatorial tetrahedral distortion, their redox potentials could fall in the same intermediate region. In this case spectroscopic data have to be handled with great care in order to have an answer about a copper complex geometrical characteristics. © 2013.

Analysis of pure tar substances (polycyclic aromatic hydrocarbons) in the gas stream using ultraviolet visible (UV-Vis) spectroscopy and multivariate curve resolution (MCR).

PubMed

Weide, Tobias; Guschin, Viktor; Becker, Wolfgang; Koelle, Sabine; Maier, Simon; Seidelt, Stephan

2015-01-01

The analysis of tar, mostly characterized as polycyclic aromatic hydrocarbons (PAHs), describes a topic that has been researched for years. An online analysis of tar in the gas stream in particular is needed to characterize the tar conversion or formation in the biomass gasification process. The online analysis in the gas is carried out with ultraviolet-visible (UV-Vis) spectroscopy (190-720 nm). This online analysis is performed with a measuring cell developed by the Fraunhofer Institute for Chemical Technology (ICT). To this day, online tar measurements using UV-Vis spectroscopy have not been carried out in detail. Therefore, PAHs are analyzed as follows. The measurements are split into different steps. The first step to prove the online method is to vaporize single tar substances. These experiments show that a qualitative analysis of PAHs in the gas stream with the used measurement setup is possible. Furthermore, it is shown that the method provides very exact results, so that a differentiation of various PAHs is possible. The next step is to vaporize a PAH mixture. This step consists of vaporizing five pure substances almost simultaneously. The interpretation of the resulting data is made using a chemometric interpretation method, the multivariate curve resolution (MCR). The verification of the calculated results is the main aim of this experiment. It has been shown that the tar mixture can be analyzed qualitatively and quantitatively (in arbitrary units) in detail using the MCR. Finally it is the main goal of this paper to show the first steps in the applicability of the UV-Vis spectroscopy and the measurement setup on online tar analysis in view of characterizing the biomass gasification process. Due to that, the gasification plant (at the laboratory scale), developed and constructed by the Fraunhofer ICT, has been used to vaporize these substances. Using this gasification plant for the experiments enables the usage of the measurement setup also for the spectroscopic analysis of the tar formation during the biomass gasification.

Synthesis & characterization of Bi7.38Ce0.62O12.3 and its optical and electrocatalytic property

NASA Astrophysics Data System (ADS)

Padmanaban, A.; Dhanasekaran, T.; Kumar, S. Praveen; Gnanamoorthy, G.; Stephen, A.; Narayanan, V.

2017-05-01

Bismuth cerium oxide was synthesized by thermal decomposition method. The material was characterized by X-ray diffraction technique, DRS UV-Vis, Raman spectral methods and FE-SEM. The electrocatalytic sensing activity of bismuth cerium oxide modified GCE toward 4-nitrophenol exhibits better activity than the bare GCE. The modified electrode shows higher anodic current response with lower potential.

Analysis of organophosphate-Zn metalloporphyrin interactions via UV-vis spectroscopy and molecular modeling.

PubMed

Rompoti, A; Dalal, N; Athanasopoulos, D; Rutan, S; Helburn, R

2015-01-25

UV-vis absorption spectra of zinc tetraphenylporphine (ZnTPP) on interaction with six organophosphorus (OP) compounds in cyclohexane were compared using ab initio methods and the molecular and solvation ligand descriptors π(*), Vx, and σ. OPs with polarizable hydrocarbon substituents in the homologous series tri-ethyl, -pentyl, -octyl, and -phenyl phosphates and the toxicologically relevant methyl paraoxon (1a-e) each gave a red shift in the Soret band (λsor) of ZnTPP in the range of 8-10 nm. Sensitivity as ΔAsor-b/Δug OP for the spectral band of the ligand bound ZnTPP (λsor-b) decreased with increasing extent of alkyl and aromatic substitution. Calculated and combined energies for OP and ZnTPP examined as a function of distance (Å) between ligand and porphyrin center suggest increased steric crowding with increasing Vx, and aromatic content of the OP. Spectrally fitted K1:1 and ΔAsor-b/ug OP each vary exponentially with Vx/σ. Lack of a red shift in λsor-b where ZnTPP was titrated with the toxic diethyl chlorophosphate (1g) is consistent with a model in which the magnitude of ΔEsor is proportional to the donor capacity of the phosphoryl-O ligand. Copyright © 2014 Elsevier B.V. All rights reserved.

Continuously tunable optical notch filter and band-pass filter systems that cover the visible to near-infrared spectral ranges.

PubMed

Jeong, Mi-Yun; Mang, Jin Yeob

2018-03-10

Spatially continuous tunable optical notch and band-pass filter systems that cover the visible (VIS) and near-infrared (NIR) spectral ranges from ∼460  nm to ∼1,000  nm are realized by combining left- and right-handed circular cholesteric liquid crystal (CLC) wedge cells with continuous pitch gradient. The notch filter system is polarization independent in all of the spectral ranges. The band-pass filter system, when the left- and right-handed CLCs are arranged in a row, is polarization independent, while when they are arranged at right angles, they are polarization dependent; furthermore, the full-width at half-maximum of the band-pass filter can be changed reversibly from the original bandwidth of 36 nm to 16 nm. Depending on the CLC materials, this strategy could be applied to the UV, VIS, and IR spectral ranges. Due to the high performance in the broad spectral range, cost-effective facile fabrication process, simple mechanical control, and small size, it is expected that our optical tunable filter strategies could become one of the key parts of laser-based Raman spectroscopy, fluorescence, life science devices, optical communication systems, astronomical telescopes, and so forth.

The Influence of Endmember Selection Method in Extracting Impervious Surface from Airborne Hyperspectral Imagery

NASA Astrophysics Data System (ADS)

Wang, J.; Feng, B.

2016-12-01

Impervious surface area (ISA) has long been studied as an important input into moisture flux models. In general, ISA impedes groundwater recharge, increases stormflow/flood frequency, and alters in-stream and riparian habitats. Urban area is recognized as one of the richest ISA environment. Urban ISA mapping assists flood prevention and urban planning. Hyperspectral imagery (HI), for its ability to detect subtle spectral signature, becomes an ideal candidate in urban ISA mapping. To map ISA from HI involves endmember (EM) selection. The high degree of spatial and spectral heterogeneity of urban environment puts great difficulty in this task: a compromise point is needed between the automatic degree and the good representativeness of the method. The study tested one manual and two semi-automatic EM selection strategies. The manual and the first semi-automatic methods have been widely used in EM selection. The second semi-automatic EM selection method is rather new and has been only proposed for moderate spatial resolution satellite. The manual method visually selected the EM candidates from eight landcover types in the original image. The first semi-automatic method chose the EM candidates using a threshold over the pixel purity index (PPI) map. The second semi-automatic method used the triangle shape of the HI scatter plot in the n-Dimension visualizer to identify the V-I-S (vegetation-impervious surface-soil) EM candidates: the pixels locate at the triangle points. The initial EM candidates from the three methods were further refined by three indexes (EM average RMSE, minimum average spectral angle, and count based EM selection) and generated three spectral libraries, which were used to classify the test image. Spectral angle mapper was applied. The accuracy reports for the classification results were generated. The overall accuracy are 85% for the manual method, 81% for the PPI method, and 87% for the V-I-S method. The V-I-S EM selection method performs best in this study. This fact proves the value of V-I-S EM selection method in not only moderate spatial resolution satellite image but also the more and more accessible high spatial resolution airborne image. This semi-automatic EM selection method can be adopted into a wide range of remote sensing images and provide ISA map for hydrology analysis.

Growth, structural, thermal, linear and nonlinear optical and laser damage threshold studies of picolinium tartrate monohydrate single crystals.

PubMed

Peramaiyan, G; Pandi, P; Sornamurthy, B M; Bhagavannarayana, G; Mohan Kumar, R

2012-09-01

Picolinium tartrate monohydrate (PTM), a novel organic nonlinear optical material was synthesized and bulk crystals were grown from aqueous solution by slow cooling technique. The cell parameters of the grown crystal were found by single and powder X-ray diffraction analyses. The crystalline perfection of the grown crystals has been analyzed by high-resolution X-ray diffraction (HRXRD) rocking curve measurements. The presence of functional groups in the grown crystal was identified by FTIR and FT-Raman spectral analyses. UV-Vis spectral studies reveal PTM crystals are transparent in the wavelength region of 295-1100 nm. The thermal characteristics of PTM were analyzed by TGA/DTA studies. The dielectric and mechanical behaviours of PTM crystals were investigated. Dislocation density was estimated to be 2.89 × 10(3) cm(-2) on the flat-surface of PTM crystals from the etching studies. The laser induced surface damage threshold for the grown crystal was measured using Nd:YAG laser. Its second harmonic generation relative efficiency was measured by Kurtz and Perry powder technique and was observed to be comparable with KDP crystal. Copyright © 2012 Elsevier B.V. All rights reserved.

Assessment of the performance of a compact concentric spectrometer system for Atmospheric Differential Optical Absorption Spectroscopy

NASA Astrophysics Data System (ADS)

Whyte, C.; Leigh, R. J.; Lobb, D.; Williams, T.; Remedios, J. J.; Cutter, M.; Monks, P. S.

2009-12-01

A breadboard demonstrator of a novel UV/VIS grating spectrometer has been developed based upon a concentric arrangement of a spherical meniscus lens, concave spherical mirror and curved diffraction grating suitable for a range of atmospheric remote sensing applications from the ground or space. The spectrometer is compact and provides high optical efficiency and performance benefits over traditional instruments. The concentric design is capable of handling high relative apertures, owing to spherical aberration and comma being near zero at all surfaces. The design also provides correction for transverse chromatic aberration and distortion, in addition to correcting for the distortion called "smile", the curvature of the slit image formed at each wavelength. These properties render this design capable of superior spectral and spatial performance with size and weight budgets significantly lower than standard configurations. This form of spectrometer design offers the potential for exceptionally compact instrument for differential optical absorption spectroscopy (DOAS) applications from LEO, GEO, HAP or ground-based platforms. The breadboard demonstrator has been shown to offer high throughput and a stable Gaussian line shape with a spectral range from 300 to 450 nm at 0.5 nm resolution, suitable for a number of typical DOAS applications.

Multiple UV reflectance peaks in the iridescent neck feathers of pigeons

NASA Astrophysics Data System (ADS)

McGraw, Kevin J.

Recent studies of colorful plumage signals in birds have been aided by the finding that birds can see ultraviolet (UV) light and thus may communicate using colors invisible to humans. Some of the pioneering and more pivotal work on avian color vision was performed with domestic pigeons (Columba livia), yet surprisingly there have been few detailed reports of the UV-reflecting properties of pigeon feathers. Here, I use UV-VIS fiber-optic spectrometry to document the full-spectrum reflectance characteristics of iridescent purple and green neck plumage in pigeons. Neck feathers that appear purple to the human eye exhibit four reflectance peaks-two in the UV and one in the blue and red regions-and thus exhibit a UV-purple hue. Neck feathers that appear green to the human eye are characterized by five spectral peaks: two in the UV (UVA and UVB), a predominant green peak, and secondary violet and red peaks, conferring a UV-purple-green color. Such elaborate UV coloration suggests that birds may use an even more complex and `hidden' UV signaling system than previously thought.

Experimental evaluation of optimization method for developing ultraviolet barrier coatings

NASA Astrophysics Data System (ADS)

Gonome, Hiroki; Okajima, Junnosuke; Komiya, Atsuki; Maruyama, Shigenao

2014-01-01

Ultraviolet (UV) barrier coatings can be used to protect many industrial products from UV attack. This study introduces a method of optimizing UV barrier coatings using pigment particles. The radiative properties of the pigment particles were evaluated theoretically, and the optimum particle size was decided from the absorption efficiency and the back-scattering efficiency. UV barrier coatings were prepared with zinc oxide (ZnO) and titanium dioxide (TiO2). The transmittance of the UV barrier coating was calculated theoretically. The radiative transfer in the UV barrier coating was modeled using the radiation element method by ray emission model (REM2). In order to validate the calculated results, the transmittances of these coatings were measured by a spectrophotometer. A UV barrier coating with a low UV transmittance and high VIS transmittance could be achieved. The calculated transmittance showed a similar spectral tendency with the measured one. The use of appropriate particles with optimum size, coating thickness and volume fraction will result in effective UV barrier coatings. UV barrier coatings can be achieved by the application of optical engineering.

Modeling the natural UV irradiation and comparative UV measurements at Moussala BEO (BG)

NASA Astrophysics Data System (ADS)

Tyutyundzhiev, N.; Angelov, Ch; Lovchinov, K.; Nitchev, Hr; Petrov, M.; Arsov, T.

2018-03-01

Studies of and modeling the impact of natural UV irradiation on the human population are of significant importance for human activity and economics. The sharp increase of environmental problems – extraordinary temperature changes, solar irradiation abnormalities, icy rains – raises the question of developing novel means of assessing and predicting potential UV effects. In this paper, we discuss new UV irradiation modeling based on recent real-time measurements at Moussala Basic Environmental Observatory (BEO) on Moussala Peak (2925 m ASL) in Rila Mountain, Bulgaria, and highlight the development and initial validation of portable embedded devices for UV-A, UV-B monitoring using open-source software architecture, narrow bandpass UV sensors, and the popular Arduino controllers. Despite the high temporal resolution of the VIS and UV irradiation measurements, the results obtained reveal the need of new assumptions in order to minimize the discrepancy with available databases.

Light transmission and ultraviolet protection of contact lenses under artificial illumination.

PubMed

Artigas, José M; Navea, Amparo; García-Domene, M Carmen; Gené, Andrés; Artigas, Cristina

2016-04-01

To determine the spectral transmission of contact lenses (CLs), with and without an ultraviolet (UV) filter to evaluate their capacity for protection under UV radiation from artificial illumination (incandescent, fluorescent, xenon (Xe) lamps, or white LEDs (light-emitting diode)). The transmission curves of nine soft CLs were obtained by using a PerkinElmer Lambda 35 UV-vis spectrophotometer. A CIE standard was used for the emission spectra of incandescent and fluorescent lamps, and Xe lamps and white LEDs were measured by using an International Light Technologies ILT-950 spectroradiometer. Five of the nine soft CLs analysed state that they incorporate UV filters, but the other four do not specify anything in this regard. The spectral transmission of all the CLs studied is excellent in the visible region. The CLs with UV filters filter out this radiation more or less effectively. Xe lamps emit a part in the UV region. Incandescent, fluorescent and white LEDs do not emit at all in the UV. Incorporating UV filters is important when the illumination is from a Xe lamp since this light source emits in the UV region. This, however, does not occur with incandescent and fluorescent lamps or white LEDs. The CLs that do incorporate UV filters meet all the standard requirements that the U.S. FDA (Food and Drug Administration) has for UV-blocking CLs Class II (OcularScience, CooperVision and Neolens), and AcuvueMoist and HydronActifresh400 even comply with the stricter Class I. The CLs without UV filters let UVA, UVB and even some UVC through. Copyright © 2015. Published by Elsevier Ltd.

Predicting the Spectral Effects of Soils on Concentrating Photovoltaic Systems

DOE PAGES

Burton, Patrick D.; King, Bruce Hardison; Riley, Daniel M.

2014-12-15

The soiling losses on high concentrating photovoltaic (HCPV) systems may be influenced by the spectral properties of accumulated soil. We predicted the response of an isotype cell to changes in spectral content and reduction in transmission due to soiling using measured UV/vis transmittance through soil films. Artificial soil test blends deposited on glass coupons were used to supply the transmission data, which was then used to calculate the effect on model spectra. Moreover, the wavelength transparency of the test soil was varied by incorporating red and yellow mineral pigments into graded sand. The more spectrally responsive (yellow) soils were predictedmore » to alter the current balance between the top and middle subcells throughout a range of air masses corresponding to daily and seasonal variation.« less

Experimental and DFT studies of (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline: electronic and vibrational properties.

PubMed

Sun, Wenqi; Yuan, Guozan; Liu, Jingxin; Ma, Li; Liu, Chengbu

2013-04-01

The title molecule (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline (DPEQ) was synthesized and characterized by FT-IR, UV-vis, NMR spectroscopy. The molecular geometry, vibrational frequencies and gauge independent atomic orbital (GIAO) 1H and 13C NMR chemical shift values of the compound in the ground state have been calculated by using the density functional theory (DFT) method. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. The calculated results indicate that the theoretical vibrational frequencies, 1H and 13C NMR chemical shift values show good agreement with experimental data. The electronic properties like UV-vis spectral analysis and HOMO-LUMO analysis of DPEQ have been reported and compared with experimental data. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecule has been obtained by mapping electron density isosurface with molecular electrostatic potential (MEP). Copyright © 2013 Elsevier B.V. All rights reserved.

Experimental and DFT studies of (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline: Electronic and vibrational properties

NASA Astrophysics Data System (ADS)

Sun, Wenqi; Yuan, Guozan; Liu, Jingxin; Ma, Li; Liu, Chengbu

2013-04-01

The title molecule (E)-2-[2-(2,6-dichlorophenyl)ethenyl]-8-hydroxyquinoline (DPEQ) was synthesized and characterized by FT-IR, UV-vis, NMR spectroscopy. The molecular geometry, vibrational frequencies and gauge independent atomic orbital (GIAO) 1H and 13C NMR chemical shift values of the compound in the ground state have been calculated by using the density functional theory (DFT) method. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. The calculated results indicate that the theoretical vibrational frequencies, 1H and 13C NMR chemical shift values show good agreement with experimental data. The electronic properties like UV-vis spectral analysis and HOMO-LUMO analysis of DPEQ have been reported and compared with experimental data. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecule has been obtained by mapping electron density isosurface with molecular electrostatic potential (MEP).

Theoretical Calculation of the Uv-Vis Spectral Band Locations of Pahs with Unknown Syntheses Procedures and Prospective Carcinogenic Activity

NASA Astrophysics Data System (ADS)

Ona-Ruales, Jorge Oswaldo; Ruiz-Morales, Yosadara

2017-06-01

Annellation Theory and ZINDO/S semiempirical calculations have been used for the calculation of the locations of maximum absorbance (LMA) of the Ultraviolet-Visible (UV-Vis) of 31 C_{34}H_{16} PAHs (molecular mass 424 Da) with unknown protocols of synthesis. The presence of benzo[a]pyrene bay-like regions and dibenzo[a,l]pyrene fjord-like regions in several of the structures that could be linked to an enhancement of the biological behavior and carcinogenic activity stresses the importance of C_{34}H_{16} PAHs in fields like molecular biology and cancer research. In addition, the occurrence of large PAHs in oil asphaltenes exemplifies the importance of these calculations for the characterization of complex systems. The C_{34}H_{16} PAH group is the largest molecular mass group of organic compounds analyzed so far following the Annellation Theory and ZINDO/S methodology. Future analysis using the same approach will provide evidence regarding the LMA of other high molecular mass PAHs.

Spectrometric studies on the interaction of fluoroquinolones and bovine serum albumin

NASA Astrophysics Data System (ADS)

Ni, Yongnian; Su, Shaojing; Kokot, Serge

2010-02-01

The interaction between fluoroquinolones (FQs), ofloxacin and enrofloxacin, and bovine serum albumin (BSA) was investigated by fluorescence and UV-vis spectroscopy. It was demonstrated that the fluorescence quenching of BSA by FQ is a result of the formation of the FQ-BSA complex stabilized, in the main, by hydrogen bonds and van der Waals forces. The Stern-Volmer quenching constant, KSV, and the corresponding thermodynamic parameters, Δ H, Δ S and Δ G, were estimated. The distance, r, between the donor, BSA, and the acceptor, FQ, was estimated from fluorescence resonance energy transfer (FRET). The effect of FQ on the conformation of BSA was analyzed with the aid of UV-vis absorbance spectra and synchronous fluorescence spectroscopy. Spectral analysis showed that the two FQs affected the conformation of the BSA but in a different manner. Thus, with ofloxacin, the polarity around the tryptophan residues decreased and the hydrophobicity increased, while for enrofloxacin, the opposite effect was observed.

Total atmospheric ozone determined from spectral measurements of direct solar UV irradiance

NASA Astrophysics Data System (ADS)

Huber, Martin; Blumthaler, Mario; Ambach, Walter; Staehelin, Johannes

1995-01-01

With a double monochromator, high resolution spectral measurements of direct solar UV-irradiance were performed in Arosa during February and March, 1993. Total atmospheric ozone amount is determined by fitting model calculations to the measured spectra. The results are compared with the operationally performed measurements of a Dobson and a Brewer spectrometer. The total ozone amount determined from spectral measurements differs from the results of the Dobson instrument by -1.1±0.9% and from those of the Brewer instrument by -0.4±0.7%.

Synthesis and XRD, FT-IR vibrational, UV-vis, and nonlinear optical exploration of novel tetra substituted imidazole derivatives: A synergistic experimental-computational analysis

NASA Astrophysics Data System (ADS)

Ahmad, Muhammad Saeed; Khalid, Muhammad; Shaheen, Muhammad Ashraf; Tahir, Muhammad Nawaz; Khan, Muhammad Usman; Braga, Ataualpa Albert Carmo; Shad, Hazoor Ahmad

2018-04-01

Heterocyclic compounds have potential applications in many fields of life. We synthesized novel tetra substituted imidazoles by four-component condensation of benzil, substituted aldehydes, substituted anilines and ammonium acetate as a source of ammonia and acetic acid as the solvent. Their chemical structures were resolved through X-ray crystallographic and spectroscopic (Fourier transform IR and UV-vis) techniques. In addition to experimental analysis, density functional theory (DFT) calculations at the B3LYP/6-311 + G(d,p) level were performed on 4-bromo-2-(1-(4-methoxyphenyl)-4,5-diphenyl-1H-imidazole-2-yl)phenol (1), 4-bromo-2-(1-(1-naphthalen-yl)-4,5-diphenyl-1H-imidazole-2-yl)phenol (2), and 2-(1-(2-chlorophenyl)-4,5-diphenyl-1-H-imidazole-2-yl)-6-methoxyphenol (3) to obtain the optimized geometry and spectroscopic (Fourier transform IR and UV-vis) and non-linear optical properties. Frontier molecular orbital analysis was performed at the Hartee-Fock/6-311+g(d,p) and DFT/B3LYP/6-311+G(d,p) levels of theory. Natural bond orbital (NBO) and UV-vis spectral analyses were performed at the M06-2X/6-31+G(d,p) and time-dependent DFT/B3LYP/6-311+G(d,p) levels, respectively. Overall, the DFT findings show good agreement with the experimental data. The hyper conjugative interaction network, which is responsible for the stability of compounds 1, 2 and 3 was explored by the NBO approach. The global reactivity parameters were explored with use of the energy of the frontier molecular orbitals. DFT calculations predict the first-order hyperpolarizabilities of compounds 1, 2 and 3 are 294.89 × 10-30, 219.45 × 10-30 and 146.77 × 10-30 esu, respectively. A two-state model was used to describe the non-linear optical properties of the compounds investigated.

Molecular structure and spectroscopic investigation of sodium(E)-2-hydroxy-5-((4-sulfonatophenyl)diazenyl)benzoate: A DFT study

NASA Astrophysics Data System (ADS)

Shahab, Siyamak; Kumar, Rakesh; Darroudi, Mahdieh; Yousefzadeh Borzehandani, Mostafa

2015-03-01

Quantum-chemical calculations using the Density Functional Theory (DFT) approach for structural analysis of new azodye sodium(E)-2-hydroxy-5-((4-sulfonatophenyl)diazenyl) (trans isomer) is carried out using B3LYP methods with 6-31G∗ basis set. The comparison of measured UV-Vis data, IR and NMR spectra of the molecule with the experimental data were also described which allowed assignment of major spectral features of title molecule. The optimized geometrical parameters obtained by B3LYP methods show a good agreement with experimental data. On the basis of polyvinyl alcohol (PVA) and the dichroic synthesized dye polarizer absorbing in the UV region of the spectrum (λmax = 353 nm) with the effect of polarization in the absorption maximum 96% was developed. The spectral-polarization parameters of stretched PVA-films were calculated.

A Real-Time Ultraviolet Radiation Imaging System Using an Organic Photoconductive Image Sensor†

PubMed Central

Okino, Toru; Yamahira, Seiji; Yamada, Shota; Hirose, Yutaka; Odagawa, Akihiro; Kato, Yoshihisa; Tanaka, Tsuyoshi

2018-01-01

We have developed a real time ultraviolet (UV) imaging system that can visualize both invisible UV light and a visible (VIS) background scene in an outdoor environment. As a UV/VIS image sensor, an organic photoconductive film (OPF) imager is employed. The OPF has an intrinsically higher sensitivity in the UV wavelength region than those of conventional consumer Complementary Metal Oxide Semiconductor (CMOS) image sensors (CIS) or Charge Coupled Devices (CCD). As particular examples, imaging of hydrogen flame and of corona discharge is demonstrated. UV images overlapped on background scenes are simply made by on-board background subtraction. The system is capable of imaging weaker UV signals by four orders of magnitude than that of VIS background. It is applicable not only to future hydrogen supply stations but also to other UV/VIS monitor systems requiring UV sensitivity under strong visible radiation environment such as power supply substations. PMID:29361742

Optimizing UV Index determination from broadband irradiances

NASA Astrophysics Data System (ADS)

Tereszchuk, Keith A.; Rochon, Yves J.; McLinden, Chris A.; Vaillancourt, Paul A.

2018-03-01

A study was undertaken to improve upon the prognosticative capability of Environment and Climate Change Canada's (ECCC) UV Index forecast model. An aspect of that work, and the topic of this communication, was to investigate the use of the four UV broadband surface irradiance fields generated by ECCC's Global Environmental Multiscale (GEM) numerical prediction model to determine the UV Index. The basis of the investigation involves the creation of a suite of routines which employ high-spectral-resolution radiative transfer code developed to calculate UV Index fields from GEM forecasts. These routines employ a modified version of the Cloud-J v7.4 radiative transfer model, which integrates GEM output to produce high-spectral-resolution surface irradiance fields. The output generated using the high-resolution radiative transfer code served to verify and calibrate GEM broadband surface irradiances under clear-sky conditions and their use in providing the UV Index. A subsequent comparison of irradiances and UV Index under cloudy conditions was also performed. Linear correlation agreement of surface irradiances from the two models for each of the two higher UV bands covering 310.70-330.0 and 330.03-400.00 nm is typically greater than 95 % for clear-sky conditions with associated root-mean-square relative errors of 6.4 and 4.0 %. However, underestimations of clear-sky GEM irradiances were found on the order of ˜ 30-50 % for the 294.12-310.70 nm band and by a factor of ˜ 30 for the 280.11-294.12 nm band. This underestimation can be significant for UV Index determination but would not impact weather forecasting. Corresponding empirical adjustments were applied to the broadband irradiances now giving a correlation coefficient of unity. From these, a least-squares fitting was derived for the calculation of the UV Index. The resultant differences in UV indices from the high-spectral-resolution irradiances and the resultant GEM broadband irradiances are typically within 0.2-0.3 with a root-mean-square relative error in the scatter of ˜ 6.6 % for clear-sky conditions. Similar results are reproduced under cloudy conditions with light to moderate clouds, with a relative error comparable to the clear-sky counterpart; under strong attenuation due to clouds, a substantial increase in the root-mean-square relative error of up to 35 % is observed due to differing cloud radiative transfer models.

Exploring the potential of hyper-spectral imaging for the biogeochemical analysis of varved lake sediments

NASA Astrophysics Data System (ADS)

Butz, Christoph; Grosjean, Martin; Enters, Dirk; Tylmann, Wojciech

2014-05-01

Varved lake sediments have successfully been used to make inferences about past environmental and climate conditions from annual to multi-millennial scales. Among other proxies, concentrations of sedimentary photopigments have been used for temperature reconstructions. However, obtaining well calibrated annually resolved records from sediments still remains challenging. Most laboratory methods used to analyse lake sediments require physical subsampling and are destructive in the process. Hence, temporal resolution and number of data are limited by the amount of material available in the core. Furthermore, for very low sediment accumulation rates annual subsampling is often very difficult or even impossible. To address these problems we explore hyper-spectral imaging as a new method to analyse lake sediments based on their reflectance spectra in the visible and near infrared spectrum. In contrast to other fast and non-destructive methods like X-ray fluorescence, VIS/NIR reflectance spectrometry distinguishes between biogeochemical substances rather than single elements. Rein (2003) has shown that VIS-RS can be used to detect relative concentrations of sedimentary photopigments (e.g. chlorins, carotenoids) and clay minerals. This study presents an advanced approach using a hyper-spectral camera and remote sensing techniques to infer climate proxy data from reflectance spectra of varved lake sediments. Hyper-spectral imaging allows analysing an entire sediment core in a single measurement, producing a spectral dataset with very high spatial (30x30µm/pixel) and spectral resolutions (~1nm) and a higher spectral range (400-1000nm) compared to previously used spectrophotometers. This allows the analysis of data time series at sub-varve scales or spatial mapping of sedimentary substances (e.g. chlorophyll-a and diagenetic products) at very high resolution. The method is demonstrated on varved lake sediments from northern Poland showing the change of the relative concentrations of chlorin pigments within individual varve years. In a next step absolute concentrations of chlorins derived from HPLC measurements have been calibrated to the spectral data using a linear regression model. This results in a very high-resolution dataset of absolute sedimentary pigment concentrations. In a second example µXRF measurements are used to validate a spectral index for clay mineral detection.

Spectral transmittance of intraocular lenses under natural and artificial illumination: criteria analysis for choosing a suitable filter.

PubMed

Artigas, Jose M; Felipe, Adelina; Navea, Amparo; Artigas, Cristina; García-Domene, Maria C

2011-01-01

To compare the spectral transmission of different intraocular lenses (IOLs) with either ultraviolet (UV) or blue-light filters, and to analyze the performance of these filters with artificial light sources as well as sunlight. Experimental study. The spectral transmission curve of 10 IOLs was measured using a PerkinElmer Lambda 800 UV/VIS spectrometer (Waltham, MA). Different filtering simulations were performed using the D65 standard illuminant as daylight and standard incandescent lamp and fluorescent bulb illuminants. Spectral transmittance of the IOLs. All the IOLs studied provide good UVC (200-280 nm) and UVB (280-315 nm) protection, except for one that presented an appreciable window at 270 nm. Nevertheless, both natural and artificial sources have practically no emission under 300 nm. In the UVA (315-380 nm) range the curves of the different IOLs manifested different degrees of absorption. Not all the UV filters incorporated in different IOLs protect equally. The filters that provide greater photoprotection against UV radiation, even blue light, are yellow and orange. Then, yellow and orange IOL filters may be best suited for cases requiring special retinal protection. The filters that favor better photoreception of visible light (380-780 nm) are those that transmit this radiation close to 100%. Artificial illumination practically does not emit in the UV range, but its levels of illumination are very low when compared with solar light. A possible balance between photoprotection and photoreception could be a sharp cutoff filter with the cutoff wavelength near 400 nm and a maximum transmittance around 100%. Copyright © 2011 American Academy of Ophthalmology. Published by Elsevier Inc. All rights reserved.

Toward a hyperspectral optical signature of extra virgin olive oil

NASA Astrophysics Data System (ADS)

Mignani, A. G.; Ciaccheri, L.; Thienpont, H.; Ottevaere, H.; Attilio, C.; Cimato, A.

2007-05-01

Italian extra virgin olive oils bearing labels of certified area of origin were considered. Their multispectral digital signature was measured by means of absorption spectroscopy in the 200-1700 nm spectral range. The instrumentation was a fiber optic-based, cheap, and compact device. The spectral data were processed by means of multivariate analysis and plotted on a 2D classification map. The map showed sharp clusters according to the geographical origin of the oils, thus demonstrating the potentials of UV-VIS-NIR spectroscopy for optical fingerprinting. Then, the spectral data were correlated to the content of the most important fatty acids. The good fitting achieved demonstrated that the optical fingerprinting can be used also for predicting nutritional and chemical parameters.

UV-VIS depolarization from Arizona Test Dust particles at exact backscattering angle

NASA Astrophysics Data System (ADS)

Miffre, Alain; Mehri, Tahar; Francis, Mirvatte; Rairoux, Patrick

2016-01-01

In this paper, a controlled laboratory experiment is performed to accurately evaluate the depolarization from mineral dust particles in the exact backward scattering direction (ϴ=180.0±0.2°). The experiment is carried out at two wavelengths simultaneously (λ=355 nm, λ=532 nm), on a determined size and shape distribution of Arizona Test Dust (ATD) particles, used as a proxy for mineral dust particles. After validating the set-up on spherical water droplets, two determined ATD-particle size distributions, representative of mineral dust after long-range transport, are generated to accurately retrieve the UV-VIS depolarization from ATD-particles at exact backscattering angle, which is new. The measured depolarization reaches at most 37.5% at λ=355 nm (35.5% at λ=532 nm), and depends on the particle size distribution. Moreover, these laboratory findings agree with T-matrix numerical simulations, at least for a determined particle size distribution and at a determined wavelength, showing the ability of the spheroidal model to reproduce mineral dust particles in the exact backward scattering direction. However, the spectral dependence of the measured depolarization could not be reproduced with the spheroidal model, even for not evenly distributed aspect ratios. Hence, these laboratory findings can be used to evaluate the applicability of the spheroidal model in the backward scattering direction and moreover, to invert UV-VIS polarization lidar returns, which is useful for radiative transfer and climatology, in which mineral dust particles are strongly involved.

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.

Optical properties and molecular diversity of dissolved organic matter in the Bering Strait and Chukchi Sea

NASA Astrophysics Data System (ADS)

Gonsior, Michael; Luek, Jenna; Schmitt-Kopplin, Philippe; Grebmeier, Jacqueline M.; Cooper, Lee W.

2017-10-01

Changes in the molecular composition of dissolved organic matter (DOM) and its light absorbing chromophoric component (CDOM) are of particular interest in the Arctic region because of climate change effects that lead to warmer sea surface temperatures and longer exposure to sunlight. We used continuous UV-vis (UV-vis) spectroscopy, excitation emission matrix fluorescence and ultrahigh resolution mass spectrometry during a transect from the Aleutian Islands in the Bering Sea to the Chukchi Sea ice edge through Bering Strait to determine the variability of DOM and CDOM. These data were combined with discrete sampling for stable oxygen isotopes of seawater, in order to evaluate the contributions of melted sea ice versus runoff to the DOM and CDOM components. This study demonstrated that high geographical resolution of optical properties in conjunction with stable oxygen ratios and non-targeted ultrahigh resolution mass spectrometry was able to distinguish between different DOM sources in the Arctic, including identification of labile DOM sources in Bering Strait associated with high algal blooms and sampling locations influenced by terrestrially-derived DOM, such as the terrestrial DOM signal originating from Arctic rivers and dirty/anchor sea ice. Results of this study also revealed the overall variability and chemodiversity of Arctic DOM present in the Bering and Chukchi Seas.

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).

High-resolution setup for measuring wavelength sensitivity of photoyellowing of translucent materials

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

Vaskuri, Anna, E-mail: anna.vaskuri@aalto.fi; Kärhä, Petri; Heikkilä, Anu

2015-10-15

Polystyrene and many other materials turn yellow when exposed to ultraviolet (UV) radiation. All photodegradation mechanisms including photoyellowing are functions of the exposure wavelength, which can be described with an action spectrum. In this work, a new high-resolution transmittance measurement setup based on lasers has been developed for measuring color changes, such as the photoyellowing of translucent materials aged with a spectrograph. The measurement setup includes 14 power-stabilized laser lines between 325 nm and 933 nm wavelengths, of which one at a time is directed on to the aged sample. The power transmitted through the sample is measured with amore » silicon detector utilizing an integrating sphere. The sample is mounted on a high-resolution XY translation stage. Measurement at various locations aged with different wavelengths of exposure radiation gives the transmittance data required for acquiring the action spectrum. The combination of a UV spectrograph and the new high-resolution transmittance measurement setup enables a novel method for studying the UV-induced ageing of translucent materials with a spectral resolution of 3–8 nm, limited by the adjustable spectral bandwidth range of the spectrograph. These achievements form a significant improvement over earlier methods.« less

Study of energy transfer and spectral downshifting in Ce, RE (RE = Nd and Yb) co-doped lanthanum phosphate

NASA Astrophysics Data System (ADS)

Sawala, N. S.; Omanwar, S. K.

2017-03-01

The phosphors LaPO4 (Lanthanum phosphate) doped with Ce(III)/Ce3+ and co-doped with Ce3+-Nd3+ and Ce3+-Yb3+ were effectively synthesized by conventional solid state reaction method. The prepared samples were characterized by powder X-ray diffraction (XRD) and surface morphology was studied by scanning electronic microscope (SEM). The photoluminescence (PL) properties were studied by spectrophotometers in near infrared (NIR) and ultraviolet visible (UV-VIS) region. Additionally the luminescence time decay curves of samples were investigated to confirm energy transfer (ET) process. The Ce3+-Nd3+ ion co-doped LaPO4 phosphors can convert a photon of UV region (278 nm) into photons of NIR region (1058 nm). While Ce3+-Yb3+ ion doped LaPO4 phosphors convert photons of UV region (278 nm) into photons of NIR region (979 nm). The Ce3+ ion acts like sensitizer and Nd3+/Yb3+ ions act as activators. Both kinds of emissions are suitable for improving spectral response of solar cells.

Spectral, coordination and thermal properties of 5-arylidene thiobarbituric acids

NASA Astrophysics Data System (ADS)

Masoud, Mamdouh S.; El-Marghany, Adel; Orabi, Adel; Ali, Alaa E.; Sayed, Reham

2013-04-01

Synthesis of 5-arylidine thiobarbituric acids containing different functional groups with variable electronic characters were described and their Co2+, Ni2+ and Cu2+ complexes. The stereochemistry and mode of bonding of 5-(substituted benzylidine)-2-TBA complexes were achieved based on elemental analysis, spectral (UV-VIS, IR, 1H NMR, MS), magnetic susceptibility and conductivity measurements. The ligands were of bidentate and tridentate bonding through S, N and O of pyrimidine nucleolus. All complexes were of octahedral configuration. The thermal data of the complexes pointed to their stability. The mechanism of the thermal decomposition is discussed. The thermodynamic parameters of the dissociation steps were evaluated and discussed.

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.

Synthesis, spectroscopic and DNA binding ability of CoII, NiII, CuII and ZnII complexes of Schiff base ligand (E)-1-(((1H-benzo[d]imidazol-2-yl)methylimino)methyl)naphthalen-2-ol. X-ray crystal structure determination of cobalt (II) complex.

PubMed

Yarkandi, Naeema H; El-Ghamry, Hoda A; Gaber, Mohamed

2017-06-01

A novel Schiff base ligand, (E)-1-(((1H-benzo[d]imidazol-2-yl)methylimino)methyl)naphthalen-2-ol (HL), has been designed and synthesized in addition to its metal chelates [Co(L) 2 ]·l2H 2 O, [Ni(L)Cl·(H 2 O) 2 ].5H 2 O, [Cu(L)Cl] and [Zn(L)(CH 3 COO)]. The structures of the isolated compounds have been confirmed and identified by means of different spectral and physicochemical techniques including CHN analysis, 1 H & 13 C NMR, mass spectral analysis, molar conductivity measurement, UV-Vis, infrared, magnetic moment in addition to TGA technique. The infrared spectral results ascertained that the ligand acts as monobasic tridentate binding to the metal centers via deprotonated hydroxyl oxygen, azomethine and imidazole nitrogen atoms. The UV-Vis, magnetic susceptibility and molar conductivity data implied octahedral geometry for Co(II) & Ni(II) complexes, tetrahedral for Zn(II) complex and square planar for Cu(II) complex. X-ray structural analysis of Co(II) complex 1 has been reported and discussed. Moreover, the type of interaction between the ligand & its complexes towards salmon sperm DNA (SS-DNA) has been examined by the measurement of absorption spectra and viscosity which confirmed that the ligand and its complexes interact with DNA via intercalation interaction as concluded from the values of binding constants (K b ). Copyright © 2017 Elsevier B.V. All rights reserved.

Portable Multispectral Colorimeter for Metallic Ion Detection and Classification

PubMed Central

Jaimes, Ruth F. V. V.; Borysow, Walter; Gomes, Osmar F.; Salcedo, Walter J.

2017-01-01

This work deals with a portable device system applied to detect and classify different metallic ions as proposed and developed, aiming its application for hydrological monitoring systems such as rivers, lakes and groundwater. Considering the system features, a portable colorimetric system was developed by using a multispectral optoelectronic sensor. All the technology of quantification and classification of metallic ions using optoelectronic multispectral sensors was fully integrated in the embedded hardware FPGA ( Field Programmable Gate Array) technology and software based on virtual instrumentation (NI LabView®). The system draws on an indicative colorimeter by using the chromogen reagent of 1-(2-pyridylazo)-2-naphthol (PAN). The results obtained with the signal processing and pattern analysis using the method of the linear discriminant analysis, allows excellent results during detection and classification of Pb(II), Cd(II), Zn(II), Cu(II), Fe(III) and Ni(II) ions, with almost the same level of performance as for those obtained from the Ultravioled and visible (UV-VIS) spectrophotometers of high spectral resolution. PMID:28788082

Portable Multispectral Colorimeter for Metallic Ion Detection and Classification.

PubMed

Braga, Mauro S; Jaimes, Ruth F V V; Borysow, Walter; Gomes, Osmar F; Salcedo, Walter J

2017-07-28

This work deals with a portable device system applied to detect and classify different metallic ions as proposed and developed, aiming its application for hydrological monitoring systems such as rivers, lakes and groundwater. Considering the system features, a portable colorimetric system was developed by using a multispectral optoelectronic sensor. All the technology of quantification and classification of metallic ions using optoelectronic multispectral sensors was fully integrated in the embedded hardware FPGA ( Field Programmable Gate Array) technology and software based on virtual instrumentation (NI LabView ® ). The system draws on an indicative colorimeter by using the chromogen reagent of 1-(2-pyridylazo)-2-naphthol (PAN). The results obtained with the signal processing and pattern analysis using the method of the linear discriminant analysis, allows excellent results during detection and classification of Pb(II), Cd(II), Zn(II), Cu(II), Fe(III) and Ni(II) ions, with almost the same level of performance as for those obtained from the Ultravioled and visible (UV-VIS) spectrophotometers of high spectral resolution.

The versatility of limb scattered sunlight measurements

NASA Astrophysics Data System (ADS)

Bourassa, A. E.; Degenstein, D. A.; Sioris, C.; Rieger, L. A.; Zawada, D.

2017-12-01

Vertically resolved measurements of limb scattered sunlight spectra in the UV-Vis-NIR spectral range have been made from several satellite instruments in low earth orbit for many years, and there has been much success in using these measurements for retrievals of trace gas and aerosol from the upper troposphere to the mesosphere. Due in a large part to improvements in radiative transfer modelling, the versatility of the limb scatter measurement has continued to grow over the last several years. Using OSIRIS and OMPS instruments as primary examples, this talk will review the current capability of limb scatter measurements, and highlight recent results on ozone variability and trends in the UTLS, the continuation of the aerosol extinction record, NO2 distributions in the upper troposphere, and a new tomographic retrieval of ozone from the OMPS measurements. The future of limb scatter observations will also be discussed, including the development of two new Canadian suborbital instrument concepts that are targeted at high spatial resolution UTLS water vapor and cloud/aerosol measurements.

Synthesis, growth, structural, spectral, thermal, chemical etching, linear and nonlinear optical and mechanical studies of an organic single crystal 4-chloro 4-nitrostilbene (CONS): a potential NLO material.

PubMed

Dinakaran, Paul M; Kalainathan, S

2013-07-01

4-Chloro 4-nitrostilbene (CONS) a new organic nonlinear optical material has been synthesized. Employing slow evaporation method, good optical quality single crystals (dimensions up to 6×2×3 mm(3)) have been grown using ethyl methyl ketone (EMK) as a solvent. The grown crystals have been subjected to various characterizations such as single crystal X-ray diffraction, powder XRD, Fourier Transform Infrared spectroscopy (FTIR), proton NMR, solid UV absorption, SHG studies. Single crystal X-ray diffraction reveals that the crystal system belongs to monoclinic with noncentrosymmetric space group P21. The UV-Vis absorption spectrum has been recorded and found that the cut off wavelength is 380 nm. Functional groups and the structure of the title compound have been confirmed by FTIR and (1)H NMR spectroscopic analyses respectively. Molecular mass of the CONS confirmed by the high resolution mass spectral analysis .The thermal behavior of the grown crystal has been studied by TG/DTA analysis and it shows the melting point is at 188.66 °C. Dislocations and growth pattern present in the grown crystal revealed by the etching study. The mechanical strength of the CONS crystal has been studied by Vicker's hardness measurement. The SHG efficiency of the grown crystal has been determined by Kurtz and Perry powder test which revealed that the CONS crystal (327 mV) has 15 times greater efficiency than that of KDP (21.7 mV). Copyright © 2013 Elsevier B.V. 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).

UV-Vis reflection spectroscopy under variable angle incidence at the air-liquid interface.

PubMed

Roldán-Carmona, Cristina; Rubia-Payá, Carlos; Pérez-Morales, Marta; Martín-Romero, María T; Giner-Casares, Juan J; Camacho, Luis

2014-03-07

The UV-Vis reflection spectroscopy (UV-Vis-RS) in situ at the air-liquid interface provides information about tilt and aggregation of chromophores in Langmuir monolayers. This information is particularly important given in most cases the chromophore is located at the polar region of the Langmuir monolayer. This region of the Langmuir monolayers has been hardly accessible by other experimental techniques. In spite of its enormous potential, the application of UV-Vis-RS has been limited mainly to reflection measurements under light normal incidence or at lower incidence angles than the Brewster angle. Remarkably, this technique is quite sensitive to the tilt of the chromophores at values of incidence angles close to or larger than the Brewster angle. Therefore, a novel method to obtain the order parameter of the chromophores at the air-liquid interface by using s- and p-polarized radiation at different incidence angles is proposed. This method allowed for the first time the experimental observation of the two components with different polarization properties of a single UV-Vis band at the air-liquid interface. The method of UV-Vis spectroscopy under variable angle incidence is presented as a new tool for obtaining rich detailed information on Langmuir monolayers.

Applications of UV/Vis Spectroscopy in Characterization and Catalytic Activity of Noble Metal Nanoparticles Fabricated in Responsive Polymer Microgels: A Review.

PubMed

Begum, Robina; Farooqi, Zahoor H; Naseem, Khalida; Ali, Faisal; Batool, Madeeha; Xiao, Jianliang; Irfan, Ahmad

2018-11-02

Noble metal nanoparticles loaded smart polymer microgels have gained much attention due to fascinating combination of their properties in a single system. These hybrid systems have been extensively used in biomedicines, photonics, and catalysis. Hybrid microgels are characterized by using various techniques but UV/Vis spectroscopy is an easily available technique for characterization of noble metal nanoparticles loaded microgels. This technique is widely used for determination of size and shape of metal nanoparticles. The tuning of optical properties of noble metal nanoparticles under various stimuli can be studied using UV/Vis spectroscopic method. Time course UV/Vis spectroscopy can also be used to monitor the kinetics of swelling and deswelling of microgels and hybrid microgels. Growth of metal nanoparticles in polymeric network or growth of polymeric network around metal nanoparticle core can be studied by using UV/Vis spectroscopy. This technique can also be used for investigation of various applications of hybrid materials in catalysis, photonics, and sensing. This tutorial review describes the uses of UV/Vis spectroscopy in characterization and catalytic applications of responsive hybrid microgels with respect to recent research progress in this area.

VIIRS VisNIR/SMWIR end of life sensitivity predictions

NASA Astrophysics Data System (ADS)

Murgai, Vijay; Nelson, Neil; Johnson, Eric; Yokoyama, Karen

2012-09-01

The Visible/Infrared Imaging Radiometer Suite (VIIRS) is a key sensor on the Suomi National Polar-orbiting Partnership (NPP) satellite launched on October 28, 2011 into a polar orbit of 824 km nominal altitude. VIIRS collects radiometric and imagery data of the Earth's atmosphere, oceans, and land surfaces in 22 spectral bands spanning the visible and infrared spectrum from 0.4 to 12.5 μm. The radiometric response for VIIRS spectral bands in the 600 - 2300 nm wavelength range (I1, M5, M6, M7 / I2, M8, M9, M10 / I3, M11), which started with significant signal to noise ratio margin at beginning of life, has shown some degradation on orbit. This degradation has been correlated with UV exposure of the VIIRS optics. UV exposure of witness samples from the Rotating Telescope Assembly (RTA) mirrors by Aerospace Corporation showed reflectance loss with the same spectral signature as the response degradation observed for VIIRS. The investigation and root cause determination for the VIIRS response degradation are discussed in separate papers. A model of VIIRS throughput degradation has been developed from witness sample UV exposure test results made by Aerospace. A direct relationship is assumed between UV dose (fluence) and the reflectance degradation of the RTA mirrors. The UV dose on orbit for the primary mirror is proportional to the incident earthshine and its solid angle of view. For subsequent mirrors the UV dose is weighted by solid angle and preceding mirror UV reflectance. UV dose is converted to reflectance change based on witness sample exposure measurements. The change in VIIRS throughput is calculated by multiplying the reflectance of the four RTA mirrors and agrees with the on-orbit measured response changes as a function of UV exposure time. Model predictions of the radiometric sensitivity for the affected VIIRS bands show positive margin at end of life for all affected bands.

High spectral resolution observations of fluorescent molecular hydrogen in molecular clouds

NASA Technical Reports Server (NTRS)

Burton, Michael G.; Geballe, T. R.; Brand, P. W. J. L.; Moorhouse, A.

1990-01-01

The 1-0 S(1) line of molecular hydrogen has been observed at high spectral resolution in several sources where the emission was suspected of being fluorescent. In NGC 2023, the Orion Bar, and Parsamyan 18, the S(1) line is unresolved, and the line center close to the rest velocity of the ambient molecular cloud. Such behavior is expected for UV-excited line emission. The H2 line widths in molecular clouds thus can serve as diagnostic for shocked and UV-excitation mechanisms. If the lines are broader than several km/s or velocity shifts are observed across a source it is likely that shocks are responsible for the excitation of the gas.

"A bridge over troubled gaps": up-conversion driven photocatalysis for hydrogen generation and pollutant degradation by near-infrared excitation.

PubMed

Acosta-Mora, P; Domen, K; Hisatomi, T; Lyu, H; Méndez-Ramos, J; Ruiz-Morales, J C; Khaidukov, N M

2018-02-15

Spectral up-conversion (UC) has been attracting growing interest for the effective harvesting of the near-infrared (NIR) part of sunlight for photocatalytic hydrogen production and environmental purification. We present evidence of NIR-to-UV-VIS photon conversion for degradation of organic dyes and hydrogen and oxygen evolution via water-splitting by TiO 2 and Rh-Cr oxide-loaded SrTiO 3 :Al photocatalysts, respectively.

Spectral enhancement of leucocrystal violet treated footwear impression evidence in blood.

PubMed

Spence, Lindsay; Asmussen, Gary

2003-03-27

The results presented demonstrate the capacity for spectral enhancement to substantially improve the forensic examination of footwear impressions in blood treated with leucocrystal violet (LCV). The UV-Vis absorption spectra were generated of (i) an aqueous solution of leucocrystal violet, (ii) leucocrystal violet in 3% H(2)O(2), (iii) LCV working solution and (iv) whole blood added to LCV working solution. The resultant fluorescence emission spectra were subsequently generated (lambda(ex)=630nm, lambda(em)=661-900nm). The results indicate that the UV-Vis absorption spectra of an unbuffered solution of whole blood with LCV working solution produces a strong absorbance curve with a maxima at 630nm. Subsequent excitation at this wavelength and generation of the emission spectrum in the fluorescence mode indicates that a solution of whole blood added to LCV working solution is an extremely weak fluorophore. Therefore, to enable an adequate and timely enhancement of blood impression evidence treated with LCV utilising either visible fluorescence or infrared luminescence requires (i) selection of the most appropriate excitation wavelength (lambda(ex)) and emission wavelength (lambda(em)) with extremely narrow band pass filters, which in the absence of substrate matrix interference is excitation at 630nm producing the emission maxima at 665nm and (ii) a visual enhancement system such as a CCD colour IR video camera with image integration.

Kr photoionized plasma induced by intense extreme ultraviolet pulses

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

Bartnik, A., E-mail: andrzej.bartnik@wat.edu.pl; Wachulak, P.; Fiedorowicz, H.

Irradiation of any gas with an intense EUV (extreme ultraviolet) radiation beam can result in creation of photoionized plasmas. The parameters of such plasmas can be significantly different when compared with those of the laser produced plasmas (LPP) or discharge plasmas. In this work, the photoionized plasmas were created in a krypton gas irradiated using an LPP EUV source operating at a 10 Hz repetition rate. The Kr gas was injected into the vacuum chamber synchronously with the EUV radiation pulses. The EUV beam was focused onto a Kr gas stream using an axisymmetrical ellipsoidal collector. The resulting low temperature Krmore » plasmas emitted electromagnetic radiation in the wide spectral range. The emission spectra were measured either in the EUV or an optical range. The EUV spectrum was dominated by emission lines originating from Kr III and Kr IV ions, and the UV/VIS spectra were composed from Kr II and Kr I lines. The spectral lines recorded in EUV, UV, and VIS ranges were used for the construction of Boltzmann plots to be used for the estimation of the electron temperature. It was shown that for the lowest Kr III and Kr IV levels, the local thermodynamic equilibrium (LTE) conditions were not fulfilled. The electron temperature was thus estimated based on Kr II and Kr I species where the partial LTE conditions could be expected.« less

Kr photoionized plasma induced by intense extreme ultraviolet pulses

NASA Astrophysics Data System (ADS)

Bartnik, A.; Wachulak, P.; Fiedorowicz, H.; Skrzeczanowski, W.

2016-04-01

Irradiation of any gas with an intense EUV (extreme ultraviolet) radiation beam can result in creation of photoionized plasmas. The parameters of such plasmas can be significantly different when compared with those of the laser produced plasmas (LPP) or discharge plasmas. In this work, the photoionized plasmas were created in a krypton gas irradiated using an LPP EUV source operating at a 10 Hz repetition rate. The Kr gas was injected into the vacuum chamber synchronously with the EUV radiation pulses. The EUV beam was focused onto a Kr gas stream using an axisymmetrical ellipsoidal collector. The resulting low temperature Kr plasmas emitted electromagnetic radiation in the wide spectral range. The emission spectra were measured either in the EUV or an optical range. The EUV spectrum was dominated by emission lines originating from Kr III and Kr IV ions, and the UV/VIS spectra were composed from Kr II and Kr I lines. The spectral lines recorded in EUV, UV, and VIS ranges were used for the construction of Boltzmann plots to be used for the estimation of the electron temperature. It was shown that for the lowest Kr III and Kr IV levels, the local thermodynamic equilibrium (LTE) conditions were not fulfilled. The electron temperature was thus estimated based on Kr II and Kr I species where the partial LTE conditions could be expected.

Spectral properties of Dy3+ doped ZnAl2O4 phosphor

NASA Astrophysics Data System (ADS)

Prakash, Ram; Kumar, Sandeep; Mahajan, Rubby; Khajuria, Pooja; Kumar, Vinay; Choudhary, R. J.; Phase, D. M.

2018-05-01

Herein, Dy3+ doped ZnAl2O4 phosphor was synthesized by the solution combustion method. The synthesized phosphor was characterized by X-ray diffraction (XRD), photoluminescence (PL) spectroscopy, UV-Vis spectroscopy and X-ray photoelectron spectroscopy (XPS). The phase purity of the phosphor was confirmed by the XRD studies that showed cubic symmetry of the synthesized phosphor. Under UV excitation (388 nm) the PL emission spectrum of the phosphor shows characteristic transition from the Dy3+ ion. A band gap of 5.2 eV was estimated from the diffused reflectance spectroscopy. The surface properties of the phosphor were studied using the X-ray photoelectron spectroscopy.

Focal plane instrument for the Solar UV-Vis-IR Telescope aboard SOLAR-C

NASA Astrophysics Data System (ADS)

Katsukawa, Yukio; Suematsu, Yoshinori; Shimizu, Toshifumi; Ichimoto, Kiyoshi; Takeyama, Norihide

2011-10-01

It is presented the conceptual design of a focal plane instrument for the Solar UV-Vis-IR Telescope (SUVIT) aboard the next Japanese solar mission SOLAR-C. A primary purpose of the telescope is to achieve precise as well as high resolution spectroscopic and polarimetric measurements of the solar chromosphere with a big aperture of 1.5 m, which is expected to make a significant progress in understanding basic MHD processes in the solar atmosphere. The focal plane instrument consists of two packages: A filtergraph package is to get not only monochromatic images but also Dopplergrams and magnetograms using a tunable narrow-band filter and interference filters. A spectrograph package is to perform accurate spectro-polarimetric observations for measuring chromospheric magnetic fields, and is employing a Littrow-type spectrograph. The most challenging aspect in the instrument design is wide wavelength coverage from 280 nm to 1.1 μm to observe multiple chromospheric lines, which is to be realized with a lens unit including fluoride glasses. A high-speed camera for correlation tracking of granular motion is also implemented in one of the packages for an image stabilization system, which is essential to achieve high spatial resolution and high polarimetric accuracy.

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.

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.

Development and validation of a FIA/UV-vis method for pK(a) determination of oxime based acetylcholinesterase reactivators.

PubMed

Musil, Karel; Florianova, Veronika; Bucek, Pavel; Dohnal, Vlastimil; Kuca, Kamil; Musilek, Kamil

2016-01-05

Acetylcholinesterase reactivators (oximes) are compounds used for antidotal treatment in case of organophosphorus poisoning. The dissociation constants (pK(a1)) of ten standard or promising acetylcholinesterase reactivators were determined by ultraviolet absorption spectrometry. Two methods of spectra measurement (UV-vis spectrometry, FIA/UV-vis) were applied and compared. The soft and hard models for calculation of pK(a1) values were performed. The pK(a1) values were recommended in the range 7.00-8.35, where at least 10% of oximate anion is available for organophosphate reactivation. All tested oximes were found to have pK(a1) in this range. The FIA/UV-vis method provided rapid sample throughput, low sample consumption, high sensitivity and precision compared to standard UV-vis method. The hard calculation model was proposed as more accurate for pK(a1) calculation. Copyright © 2015 Elsevier B.V. All rights reserved.

Using DNA to Design Plasmonic Metamaterials with Tunable Optical Properties

DTIC Science & Technology

2014-01-01

using both UV –vis spectroscopy for ensemble measurements and optical micro- spectrophotometry for individual superlattice electric fi elds at...lated data). The red-shift seen between the micro-spectropho- tometer measurements (Figure 3 b) and the UV –vis ensemble measurements (Figure 3 a...the measurements. Using UV –vis spectroscopy ( Figure 3 a), red- shifting of the superlattices’ bulk LSPR with decreased nano- particle spacing is

Digital soil classification and elemental mapping using imaging Vis-NIR spectroscopy: How to explicitly quantify stagnic properties of a Luvisol under Norway spruce

NASA Astrophysics Data System (ADS)

Kriegs, Stefanie; Buddenbaum, Henning; Rogge, Derek; Steffens, Markus

2015-04-01

Laboratory imaging Vis-NIR spectroscopy of soil profiles is a novel technique in soil science that can determine quantity and quality of various chemical soil properties with a hitherto unreached spatial resolution in undisturbed soil profiles. We have applied this technique to soil cores in order to get quantitative proof of redoximorphic processes under two different tree species and to proof tree-soil interactions at microscale. Due to the imaging capabilities of Vis-NIR spectroscopy a spatially explicit understanding of soil processes and properties can be achieved. Spatial heterogeneity of the soil profile can be taken into account. We took six 30 cm long rectangular soil columns of adjacent Luvisols derived from quaternary aeolian sediments (Loess) in a forest soil near Freising/Bavaria using stainless steel boxes (100×100×300 mm). Three profiles were sampled under Norway spruce and three under European beech. A hyperspectral camera (VNIR, 400-1000 nm in 160 spectral bands) with spatial resolution of 63×63 µm² per pixel was used for data acquisition. Reference samples were taken at representative spots and analysed for organic carbon (OC) quantity and quality with a CN elemental analyser and for iron oxides (Fe) content using dithionite extraction followed by ICP-OES measurement. We compared two supervised classification algorithms, Spectral Angle Mapper and Maximum Likelihood, using different sets of training areas and spectral libraries. As established in chemometrics we used multivariate analysis such as partial least-squares regression (PLSR) in addition to multivariate adaptive regression splines (MARS) to correlate chemical data with Vis-NIR spectra. As a result elemental mapping of Fe and OC within the soil core at high spatial resolution has been achieved. The regression model was validated by a new set of reference samples for chemical analysis. Digital soil classification easily visualizes soil properties within the soil profiles. By combining both techniques, detailed soil maps, elemental balances and a deeper understanding of soil forming processes at the microscale become feasible for complete soil profiles.

Non-animal photosafety assessment approaches for cosmetics based on the photochemical and photobiochemical properties.

PubMed

Onoue, Satomi; Suzuki, Gen; Kato, Masashi; Hirota, Morihiko; Nishida, Hayato; Kitagaki, Masato; Kouzuki, Hirokazu; Yamada, Shizuo

2013-12-01

The main purpose of the present study was to establish a non-animal photosafety assessment approach for cosmetics using in vitro photochemical and photobiochemical screening systems. Fifty-one cosmetics, pharmaceutics and other chemicals were selected as model chemicals on the basis of animal and/or clinical photosafety information. The model chemicals were assessed in terms of photochemical properties by UV/VIS spectral analysis, reactive oxygen species (ROS) assay and 3T3 neutral red uptake phototoxicity testing (3T3 NRU PT). Most phototoxins exhibited potent UV/VIS absorption with molar extinction coefficients of over 1000M(-1)cm(-1), although false-negative prediction occurred for 2 cosmetic phototoxins owing to weak UV/VIS absorption. Among all the cosmetic ingredients, ca. 42% of tested chemicals were non-testable in the ROS assay because of low water solubility; thereby, micellar ROS (mROS) assay using a solubilizing surfactant was employed for follow-up screening. Upon combination use of ROS and mROS assays, the individual specificity was 88.2%, and the positive and negative predictivities were estimated to be 94.4% and 100%, respectively. In the 3T3 NRU PT, 3 cosmetics and 4 drugs were incorrectly predicted not to be phototoxic, although some of them were typical photoallergens. Thus, these in vitro screening systems individually provide false predictions; however, a systematic tiered approach using these assays could provide reliable photosafety assessment without any false-negatives. The combined use of in vitro assays might enable simple and fast non-animal photosafety evaluation of cosmetic ingredients. Copyright © 2013 Elsevier Ltd. All rights reserved.

Fabricating a UV-Vis and Raman Spectroscopy Immunoassay Platform.

PubMed

Hanson, Cynthia; Israelsen, Nathan D; Sieverts, Michael; Vargis, Elizabeth

2016-11-10

Immunoassays are used to detect proteins based on the presence of associated antibodies. Because of their extensive use in research and clinical settings, a large infrastructure of immunoassay instruments and materials can be found. For example, 96- and 384-well polystyrene plates are available commercially and have a standard design to accommodate ultraviolet-visible (UV-Vis) spectroscopy machines from various manufacturers. In addition, a wide variety of immunoglobulins, detection tags, and blocking agents for customized immunoassay designs such as enzyme-linked immunosorbent assays (ELISA) are available. Despite the existing infrastructure, standard ELISA kits do not meet all research needs, requiring individualized immunoassay development, which can be expensive and time-consuming. For example, ELISA kits have low multiplexing (detection of more than one analyte at a time) capabilities as they usually depend on fluorescence or colorimetric methods for detection. Colorimetric and fluorescent-based analyses have limited multiplexing capabilities due to broad spectral peaks. In contrast, Raman spectroscopy-based methods have a much greater capability for multiplexing due to narrow emission peaks. Another advantage of Raman spectroscopy is that Raman reporters experience significantly less photobleaching than fluorescent tags 1 . Despite the advantages that Raman reporters have over fluorescent and colorimetric tags, protocols to fabricate Raman-based immunoassays are limited. The purpose of this paper is to provide a protocol to prepare functionalized probes to use in conjunction with polystyrene plates for direct detection of analytes by UV-Vis analysis and Raman spectroscopy. This protocol will allow researchers to take a do-it-yourself approach for future multi-analyte detection while capitalizing on pre-established infrastructure.

[Measurement of Water COD Based on UV-Vis Spectroscopy Technology].

PubMed

Wang, Xiao-ming; Zhang, Hai-liang; Luo, Wei; Liu, Xue-mei

2016-01-01

Ultraviolet/visible (UV/Vis) spectroscopy technology was used to measure water COD. A total of 135 water samples were collected from Zhejiang province. Raw spectra with 3 different pretreatment methods (Multiplicative Scatter Correction (MSC), Standard Normal Variate (SNV) and 1st Derivatives were compared to determine the optimal pretreatment method for analysis. Spectral variable selection is an important strategy in spectrum modeling analysis, because it tends to parsimonious data representation and can lead to multivariate models with better performance. In order to simply calibration models, the preprocessed spectra were then used to select sensitive wavelengths by competitive adaptive reweighted sampling (CARS), Random frog and Successive Genetic Algorithm (GA) methods. Different numbers of sensitive wavelengths were selected by different variable selection methods with SNV preprocessing method. Partial least squares (PLS) was used to build models with the full spectra, and Extreme Learning Machine (ELM) was applied to build models with the selected wavelength variables. The overall results showed that ELM model performed better than PLS model, and the ELM model with the selected wavelengths based on CARS obtained the best results with the determination coefficient (R2), RMSEP and RPD were 0.82, 14.48 and 2.34 for prediction set. The results indicated that it was feasible to use UV/Vis with characteristic wavelengths which were obtained by CARS variable selection method, combined with ELM calibration could apply for the rapid and accurate determination of COD in aquaculture water. Moreover, this study laid the foundation for further implementation of online analysis of aquaculture water and rapid determination of other water quality parameters.

Assessment of the performance of a compact concentric spectrometer system for Atmospheric Differential Optical Absorption Spectroscopy

NASA Astrophysics Data System (ADS)

Whyte, C.; Leigh, R. J.; Lobb, D.; Williams, T.; Remedios, J. J.; Cutter, M.; Monks, P. S.

2009-08-01

A breadboard demonstrator of a novel UV/VIS grating spectrometer for atmospheric research has been developed based upon a concentric arrangement of a spherical meniscus lens, concave spherical mirror and curved diffraction grating suitable for a range of remote sensing applications from the ground or space. The spectrometer is compact and provides high optical efficiency and performance benefits over traditional instruments. The concentric design is capable of handling high relative apertures, owing to spherical aberration and coma being near zero at all surfaces. The design also provides correction for transverse chromatic aberration and distortion, in addition to correcting for the distortion called "smile", the curvature of the slit image formed at each wavelength. These properties render this design capable of superior spectral and spatial performance with size and weight budgets significantly lower than standard configurations. This form of spectrometer design offers the potential for an exceptionally compact instrument for differential optical absorption spectroscopy (DOAS) applications particularly from space (LEO, GEO orbits) and from HAPs or ground-based platforms. The breadboard demonstrator has been shown to offer high throughput and a stable Gaussian line shape with a spectral range from 300 to 450 nm at better than 0.5 nm resolution, suitable for a number of typical DOAS applications.

Estimating photosynthesis with high resolution field spectroscopy in a Mediterranean grassland under different nutrient availability

NASA Astrophysics Data System (ADS)

Perez-Priego, O.; Guan, J.; Fava, F.; Rossini, M.; Wutzler, T.; Moreno, G.; Carrara, A.; Kolle, O.; Schrumpf, M.; Reichstein, M.; Migliavacca, M.

2014-12-01

Recent studies have shown how human induced N:P imbalances are affecting essential processes (e.g. photosynthesis, plant growth rate) that lead to important changes in ecosystem structure and function. In this regard, the accuracy of the approaches based on remotely-sensed data for monitoring and modeling gross primary production (GPP) relies on the ability of vegetation indices (VIs) to track the dynamics of vegetation physiological and biophysical properties/variables. Promising results have been recently obtained when Chlorophyll-sensitive VIs and Chlorophyll fluorescence are combined with structural indices in the framework of the Monteith's light use efficiency (LUE) model. However, further ground-based experiments are required to validate LUE model performances, and their capability to be generalized under different nutrient availability conditions. In this study, the overall objective was to investigate the sensitivity of VIs to track short- and long-term GPP variations in a Mediterranean grassland under different N and P fertilization treatments. Spectral VIs were acquired manually using high resolution spectrometers (HR4000, OceanOptics, USA) along a phenological cycle. The VIs examined included photochemical reflectance index (PRI), MERIS terrestrial-chlorophyll index (MTCI) and normalized difference vegetation index (NDVI). Solar-induced chlorophyll fluorescence calculated at the oxygen absorption band O2-A (F760) using spectral fitting methods was also used. Simultaneously, measurements of GPP and environmental variables were conducted using a transient-state canopy chamber. Overall, GPP, F760 and VIs showed a clear seasonal time-trend in all treatments, which was driven by the phenological development of the grassland. Results showed significant differences (p<0.05) in midday GPP values between N and without N addition plots, in particular at the peak of the growing season during the flowering stage and at the end of the season during senescence. While NDVI did not show any significant difference between treatments, VIs sensitive to pigment variations and physiology (PRI, MTCI) and F760 behaved as GPP. Model performance test indicated that VIs related to physiology and fluorescence are key to account for nutrient availability in LUE models and to better predict GPP.

Structural, vibrational, thermal and optical studies of organic single crystal: Benzotriazolium p-toluene sulfonate (BTPTS)

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

Kumar, R. Ramesh; Sathya, P.; Gopalakrishnan, R., E-mail: krgkrishnan@yahoo.com

Benzotriazolium p-toluene sulfonate (BTPTS) was grown by solution growth technique. The powder X-ray diffraction analysis was carried out to evaluate crystal system of the compound. LeBail Profile fitting analysis was performed to extract the individual peak intensities. FTIR spectrum analysis was recorded to study vibration frequencies of the prepared organic salt. Thermal studies were carried out using TG-DSC analysis. Optical absorption and energy band gap of the title compound was evaluated by UV-Vis spectral study.

Adsorption behavior and mechanism of acidic blue 25 dye onto cucurbit[8]uril: A spectral and DFT study

NASA Astrophysics Data System (ADS)

Luo, Hanhan; Huang, Xiangyu; Luo, Yuhan; Li, Zhuang; Li, Lan; Gao, Chao; Xiong, Jinyan; Li, Wei

2018-03-01

The acidic blue 25 (AB25) dye was efficiently adsorbed by CB [8]; the saturated adsorption capacity (qexp) reached 434.8 mg/g and was far higher than those of previous reported adsorbents. The Langmuir and Freundich isotherms were used to fit the equilibrium data, and the results showed that the Freundlich isotherm seemed to agree better with the AB25 adsorption. The adsorption kinetics followed the pseudo-second-order model. Calculated thermodynamic parameters showed that the adsorption of AB25 onto CB [8] was a spontaneous and enthalpy-driven process. The adsorption mechanism was explored by N2 adsorption-desorption, TG, FT-IR, UV-vis as well as MD simulation and DFT calculations. TG analysis revealed that a new inclusion complex was produced, and FT-IR,UV-vis spectrum and DFT calculations verify its structure. In this inclusion complex, the AB25 dye molecule inserted into cavities of CB [8] from portal, and the sulfonate and phenyl groups stayed in the hydrophobic cavity. TDDFT calculations indicated that all excitation arisen from π → π* transition.

Ultraviolet, visible, and infrared laser delivery using laser-to-fiber coupling via a grazing-incidence-based hollow taper

NASA Astrophysics Data System (ADS)

Ilev, Ilko K.; Waynant, Ronald W.

2001-01-01

We present a novel all-optical-waveguide method for ultraviolet (UV), visible (VIS) and infrared (IR) laser delivery including a lens-free method of laser-to-fiber coupling using a simple uncoated glass hollow taper. Based on the grazing incidence effect, the hollow taper provides a way of direct launching, without any intermediate focusing elements, high power laser radiation into delivery fibers. Because of the mutual action of the nearly parallel laser excitation, the mode coupling process, and mode filtering effect, the hollow taper serves as a mode converter that transforms the highly multimode profile of the input laser emission into a high-quality Gaussian-shaped profile at the taper output. When the grazing incidence effect of the taper is applied to laser delivery, the maintenance of high reflectance coefficients in a wide spectral region allows to utilize the same uncoated hollow taper for laser radiation in the UV, VIS and IR ranges. Applying the experimental hollow-taper based delivery systems, we obtain high laser- to-taper and taper-to-fiber coupling efficiencies.

Trapped in imidazole: how to accumulate multiple photoelectrons on a black-absorbing ruthenium complex.

PubMed

Zedler, Linda; Kupfer, Stephan; de Moraes, Inês Rabelo; Wächtler, Maria; Beckert, Rainer; Schmitt, Michael; Popp, Jürgen; Rau, Sven; Dietzek, Benjamin

2014-03-24

Ruthenium dyes incorporating a 4H-imidazole chromophore as a ligand exhibit a spectrally broad absorption in the UV/Vis region. Furthermore, they show the ability to store two electrons within the 4H-imidazole ligand. These features render them promising molecular systems, for example, as inter- or intramolecular electron relays. To optimize the structures with respect to their electron-storage capability, it is crucial to understand the impact of structural changes accompanying photoinduced charge transfer in the electronic intermediates of multistep electron-transfer processes. The photophysical properties of these (reactive) intermediates might impact the function of the molecular systems quite substantially. However, the spectroscopic study of short-lived intermediates in stepwise multielectron-transfer processes is experimentally challenging. To this end, this contribution reports on the electrochemical generation of anions identical to intermediate structures and their spectroscopic characterization by in situ resonance Raman and UV/Vis spectroelectrochemistry and computational methods. Thereby, an efficient two-electron pathway to the 4H-imidazole electron-accepting ligand is identified. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Spectroscopic investigation on the efficient organic nonlinear crystals of pure and diethanolamine added DAST.

PubMed

Karthikeyan, C; Haja Hameed, A S; Sagaya Agnes Nisha, J; Ravi, G

2013-11-01

4-N,N'-dimethylamino-N-methyl-4-stilbazolium toyslate (DAST) and diethanolamine (DEA) added DAST crystals are grown by slow cooling method. The corresponding powder samples are examined by characterization studies such as XRD, FT-IR, FT-Raman, UV-Vis-NIR and photoluminescence studies. From the powder X-ray diffraction, their lattice parameter values are found out. Since the vibrational spectra of the molecules are considerably contributed to their linear and nonlinear optical effects, Infrared and Raman spectroscopic studies are carried out for the samples. The UV-Vis-NIR absorption spectra of the samples are used to find the nature of transitions occurred in the samples. Using the density functional theory, highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) analyses are done in order to explain the transition and density of states (DOS). The first order hyperpolarizability is calculated by HF and B3LYP/6-311 G(d,p) basis sets for the DAST molecule. From the photoluminescence (PL) spectral studies, the strong excitation emissions are observed. Copyright © 2013 Elsevier B.V. All rights reserved.

Fluorometric detection of nitroaromatics by fluorescent lead complexes: A spectroscopic assessment of detection mechanism

NASA Astrophysics Data System (ADS)

Chattopadhyay, Tanmay; Chatterjee, Sourav; Majumder, Ishani; Ghosh, Soumen; Yoon, Sangee; Sim, Eunji

2018-04-01

Three Schiff base ligands such as 2-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-2-hydroxymethyl-propane-1,3-diol (HL1), 2-[(2-Hydroxy-benzylidene)-amino]-2-hydroxymethyl-propane-1,3-diol (HL2), 2-[(3,5-Dichloro-2-hydroxy-benzylidene)-amino]-2-hydroxymethyl-propane-1,3-diol (HL3) have been synthesized by condensation of aldehydes (such as 3,5-Dichloro-2-hydroxy benzaldehyde, 2-Hydroxy-benzaldehyde, and 2-Hydroxy-3-methoxy-benzaldehyde) with Tris-(hydroxymethyl)amino methane and characterized by IR, UV-vis and 1H NMR spectroscopy. Then all these three ligands have been used to prepare Pb(II) complexes by reaction with lead(II) acetate tri-hydrate in methanol. In view of analytical and spectral (IR, UV-vis and Mass) studies, it has been concluded that, except HL2, other two ligands form 1:1 metal complexes (1 and 3) with lead. Between two complexes, complex 3 is highly fluorescent and this property has been used to identify the pollutant nitroaromatics. Finally, the quenching mechanism has been established by means of spectroscopic investigation.

Synthesis, growth, structural and optical studies of a novel organic Piperazine (bis) p-toluenesulfonate single crystal.

PubMed

Rekha, P; Peramaiyan, G; NizamMohideen, M; Kumar, R Mohan; Kanagadurai, R

2015-03-15

A novel organic single crystal of Piperazinium (bis) p-toluenesulfonate (PPTS) was grown by a slow evaporation solution growth technique. The structure of the grown crystal was determined using single crystal X-ray diffraction analysis. The PPTS crystal belongs to the triclinic crystal system with space group of P1¯. The presence of functional groups was confirmed by FTIR spectral analysis. The optical transmittance range and cut-off wavelength were identified by UV-vis-NIR spectral studies. The luminescent properties of PPTS crystal were investigated. The thermal behavior of PPTS crystal was studied by TG-DT analyses. Copyright © 2014 Elsevier B.V. All rights reserved.

Synthesis and spectral characterization of hydrazone derivative of furfural using experimental and DFT methods.

PubMed

Babu, N Ramesh; Subashchandrabose, S; Ali Padusha, M Syed; Saleem, H; Erdoğdu, Y

2014-01-01

The Spectral Characterization of (E)-1-(Furan-2-yl) methylene)-2-(1-phenylvinyl) hydrazine (FMPVH) were carried out by using FT-IR, FT-Raman and UV-Vis., Spectrometry. The B3LYP/6-311++G(d,p) level of optimization has been performed on the title compound. The conformational analysis was performed for this molecule, in which the cis and trans conformers were studied for spectral characterization. The recorded spectral results were compared with calculated results. The optimized bond parameters of FMPVH molecule was compared with X-ray diffraction data of related molecule. To study the intra-molecular charge transfers within the molecule the Lewis (bonding) and Non-Lewis (anti-bonding) structural calculation was performed. The Non-linear optical behavior of the title compound was measured using first order hyperpolarizability calculation. The atomic charges were calculated and analyzed. Copyright © 2013 Elsevier B.V. All rights reserved.

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.

Interaction of the minocycline with extracelluar protein and intracellular protein by multi-spectral techniques and molecular docking

NASA Astrophysics Data System (ADS)

Fang, Qing; Wang, Yirun; Hu, Taoying; Liu, Ying

2017-02-01

The interaction of minocyeline (MNC) with extracelluar protein (lysozyme, LYSO) or intracellular protein (bovine hemoglobin, BHb) was investigated using multi-spectral techniques and molecular docking in vitro. Fluorescence studies suggested that MNC quenched LYSO/BHb fluorescence in a static mode with binding constants of 2.01 and 0.26 × 104 L•mol-1 at 298 K, respectively. The LYZO-MNC system was more easily influenced by temperature (298 and 310 K) than the BHb-MNC system. The thermodynamic parameters demonstrated that hydrogen bonds and van der Waals forces played the major role in the binding process. Based on the Förster theory of nonradiative energy transfer, the binding distances between MNC and the inner tryptophan residues of LYSO and BHb were calculated to be 4.34 and 3.49 nm, respectively. Furthermore, circular dichroism spectra (CD), Fourier transforms infrared (FTIR), UV-vis, and three-dimensional fluorescence spectra results indicated the secondary structures of LYSO and BHb were partially destroyed by MNC with the α-helix percentage of LYZO-MNC increased (17.8-28.6%) while that of BHb-MNC was decreased (41.6-39.6%). UV-vis spectral results showed these binding interactions could cause conformational and some micro-environmental changes of LYSO and BHb. In accordance with the results of molecular docking, In LYZO-MNC system, MNC was mainly bound in the active site hinge region where Trp-62 and Trp-63 are located, and in MNC-BHb system, MNC was close to the subunit α 1 of BHb, molecular docking analysis supported the thermodynamic results well. The work contributes to clarify the mechanism of MNC with two proteins at molecular level.

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.

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.

Photocatalytic antibacterial effects on TiO2-anatase upon UV-A and UV-A/VIS threshold irradiation.

PubMed

Wu, Yanyun; Geis-Gerstorfer, Jürgen; Scheideler, Lutz; Rupp, Frank

2016-01-01

Photocatalysis mediated by the anatase modification of titanium dioxide (TiO2) has shown antibacterial effects in medical applications. The aim of this study was to investigate the possibility of expanding the excitation wavelengths for photocatalytic antibacterial effects from ultraviolet (UV) into the visible light range. After deposition of salivary pellicle and adhesion of Streptococcus gordonii on anatase, different irradiation protocols were applied to induce photocatalysis: ultraviolet A (UV-A) > 320 nm; ultraviolet/visible (UV-A/VIS) light > 380 nm and > 390 nm; and VIS light 400-410 nm. A quartz crystal microbalance with dissipation (QCM-D) tests and microscopic examination were used to observe the photoinduced antibacterial effects. Salivary pellicle could be photocatalytically decomposed under all irradiation protocols. In contrast, effective photocatalytic attack of bacteria could be observed by UV-A as well as by UV-A/VIS at 380 nm < λ < 390 nm only. Wavelengths above 380 nm show promise for in situ therapeutic antifouling applications.

Complementarity of UV and IR differential absorption lidar for global measurements of atmospheric species

NASA Technical Reports Server (NTRS)

Megie, G.; Menzies, R. T.

1980-01-01

An analysis of the potential capabilities of a spectrally diversified DIAL technique for monitoring atmospheric species is presented assuming operation from an earth-orbiting platform. Emphasis is given to the measurement accuracies and spatial and temporal resolutions required to meet present atmospheric science objectives. The discussion points out advantages of spectral diversity to perform comprehensive studies of the atmosphere; in general it is shown that IR systems have an advantage in lower atmospheric measurements, while UV systems are superior for middle and upper atmospheric measurements.

Photochemical and photocatalytic degradation of trans-resveratrol.

PubMed

Silva, Cláudia Gomes; Monteiro, Judith; Marques, Rita R N; Silva, Adrián M T; Martínez, Cristina; Canle, Moisés; Faria, Joaquim Luís

2013-04-01

Photochemical and photocatalytic degradation of the emerging pollutant trans-resveratrol has been studied under different irradiation wavelengths and using different TiO2 catalysts. trans-Resveratrol was more easily degraded when irradiated using the whole spectral range (UV-Vis) rather than with UV and near-UV to visible irradiation. The main intermediate of trans-resveratrol phototransformation was identified as its isomer cis-resveratrol. Different TiO2 catalysts were used to carry out the photocatalytic degradation of trans-resveratrol. Catalysts properties such as crystallite dimensions, surface area and presence of hydroxy surface groups are shown to be crucial to the photocatalytic efficiency of the materials tested. From the point of view of trans-resveratrol abatement, the photocatalytic process was more efficient than the pure photochemical one resulting in higher degradation rates and higher organic content removal. Six photoproducts of trans-resveratrol phototransformation were identified mainly resulting from the attack of the hydroxyl radical to the organic molecule.

Fast simulation tool for ultraviolet radiation at the earth's surface

NASA Astrophysics Data System (ADS)

Engelsen, Ola; Kylling, Arve

2005-04-01

FastRT is a fast, yet accurate, UV simulation tool that computes downward surface UV doses, UV indices, and irradiances in the spectral range 290 to 400 nm with a resolution as small as 0.05 nm. It computes a full UV spectrum within a few milliseconds on a standard PC, and enables the user to convolve the spectrum with user-defined and built-in spectral response functions including the International Commission on Illumination (CIE) erythemal response function used for UV index calculations. The program accounts for the main radiative input parameters, i.e., instrumental characteristics, solar zenith angle, ozone column, aerosol loading, clouds, surface albedo, and surface altitude. FastRT is based on look-up tables of carefully selected entries of atmospheric transmittances and spherical albedos, and exploits the smoothness of these quantities with respect to atmospheric, surface, geometrical, and spectral parameters. An interactive site, http://nadir.nilu.no/~olaeng/fastrt/fastrt.html, enables the public to run the FastRT program with most input options. This page also contains updated information about FastRT and links to freely downloadable source codes and binaries.

Development of miniaturized instrumentation for Planetary Exploration and its application to the Mars MetNet Precursor Mission

NASA Astrophysics Data System (ADS)

Guerrero, Hector

2010-05-01

In this communication is presented the current development of some miniaturized instruments developed for Lander and Rovers for Planetary exploration. In particular, we present a magnetometer with resolution below 10 nT and mass in the range of 45 g; a sun irradiance spectral sensor with 10 bands (UV-VIS-near IR) and a mass in the range of 75 g. These are being developed for the Finnish, Russian and Spanish MetNet Mars Precursor Mission, to be launched in 2011 within the Phobos Grunt (Sample Return). The magnetometer (at present at EQM level) has two triaxial magnetometers (based on commercial AMR technologies) that operate in gradiometer configuration. Moreover has inside the box there a triaxial accelerometer to get the gravitational orientation of the magnetometer after its deployment. This unit is being designed to operate under the Mars severe conditions (at night) without any thermal conditioning. The sun irradiance spectral irradiance sensor is composed by individual silicon photodiodes with interference filters on each, and collimators to prevent wavelength shifts due to oblique incidence. In order allow discrimination between direct and diffuse ambient light, the photodiodes are deployed on the top and lateral sides of this unit. The instrument is being optimized for deep UV detection, dust optical depth and Phobos transits. The accuracy for detecting some atmospheric gases traces is under study. Besides, INTA is developing optical wireless link technologies modules for operating on Mars at distances over 1 m, to minimize harness, reduce weight and improve Assembly Integration and Test (AIT) tasks. Actual emitter/receiver modules are below 10 g allowing data transmission rates over 1 Mbps.

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.

CUVE - Cubesat UV Experiment: Unveil Venus' UV Absorber with Cubesat UV Mapping Spectrometer

NASA Astrophysics Data System (ADS)

Cottini, V.; Aslam, S.; D'Aversa, E.; Glaze, L.; Gorius, N.; Hewagama, T.; Ignatiev, N.; Piccioni, G.

2017-09-01

Our Venus mission concept Cubesat UV Experiment (CUVE) is one of ten proposals selected for funding by the NASA PSDS3 Program - Planetary Science Deep Space SmallSat Studies. CUVE concept is to insert a CubeSat spacecraft into a Venusian orbit and perform remote sensing of the UV spectral region using a high spectral resolution point spectrometer to resolve UV molecular bands, observe nightglow, and characterize the unidentified main UV absorber. The UV spectrometer is complemented by an imaging UV camera with multiple bands in the UV absorber main band range for contextual imaging. CUVE Science Objectives are: the nature of the "Unknown" UV-absorber; the abundances and distributions of SO2 and SO at and above Venus's cloud tops and their correlation with the UV absorber; the atmospheric dynamics at the cloud tops, structure of upper clouds and wind measurements from cloud-tracking; the nightglow emissions: NO, CO, O2. This mission will therefore be an excellent platform to study Venus' cloud top atmospheric properties where the UV absorption drives the planet's energy balance. CUVE would complement past, current and future Venus missions with conventional spacecraft, and address critical science questions cost effectively.

Planning the 8-meter Chinese Giant Solar Telescope

NASA Astrophysics Data System (ADS)

Beckers, Jacques M.; Liu, Z.; Deng, Y.; Ji, H.

2013-07-01

The Chinese Giant Solar Telescope (CGST) will be a diffraction limited solar telescope optimized for the near-infrared (NIR) spectral region (0.8 - 2.5 microns). Its diffraction limit will be reached by the incorporation of Multi-Conjugate Adaptive Optics (MCAO) enhanced by image restoration techniques to achieve uniform (u.v) plane coverage over the angular spatial frequency region allowed by its 8-meter aperture. Thus it will complement the imaging capabilities of 4-meter telescopes being planned elsewhere which are optimized for the visible (VIS) spectral region (300 - 1000 nm) In the NIR spectral regions the CGST will have access to unique spectral features which will improve the diagnostics of the solar atmosphere. These include the CaII lines near 860 nm , the HeI lines near 1083 nm, the 1074 nm FeXIII coronal lines, the large Zeeman-split FeI line at 1548 nm, and (v) the H- continuum absorption minimum at 1.6 micron. Especially in sunspot umbrae the simultaneous observation of continua and lines across the NIR spectral range will cover a substantial depth range in the solar atmosphere. Of course the mid- and far- infrared regions are also available for unequalled high-angular resolution solar observations, for example, in the Hydrogen Bracket lines, CO molecular bands, and the MgI emission line at 12.3 microns. The CGST is a so-called ring telescope in which the light is captured by a 1 meter wide segmented ring or by a ring of 7 smaller off-axis aperture telescopes. The open central area of the telescope is large. The advantages of such a ring configuration is that (a) it covers all the spatial frequencies out to those corresponding to its outer diameter, (b) its circular symmetry makes it polarization neutral, (c) its large central hole helps thermal control, and (d) it provides ample space for the MCAO system and instrumentation in the Gregorian focus. Even though optimized for the NIR, we expect to use the CGST also at visible wavelengths in the so-called “Partial Adaptive Optics” (PAO) mode (Applied Optics 31,424,1992) to obtain angular resolution twice that of a 4-meter telescope if their observations indicate that higher resolution is desirable. The CGST is a Chinese solar community project.

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

Temperature dependent O3 absorption cross sections for GOME, SCIAMACHY and GOME-2: II. New laboratory measurements

NASA Astrophysics Data System (ADS)

Serdyuchenko, Anna; Gorshelev, Victor; Chehade, Wissam; Weber, Mark; Burrows, John P.

We report on the work devoted to the up-to-date measurements of the ozone absorption cross-sections. The main goal of the project is to produce a consolidated and consistent set of high resolution cross-sections for satellite spectrometers series that allows a derivation of the harmonized long term data set. The generation of long-term datasets of atmospheric trace gases is a major need and prerequisite for climate and air quality related studies. At present there are three atmospheric chemistry instruments (GOME1, SCIAMACHY and GOME2) in operation and two more spectrometers (GOME2) to be launched five years apart in the next decade resulting in a time series covering two or more decades of ozone observations. Information from different sensors has to be com-bined for a consistent long-term data record, since the lifetime of individual satellite missions is limited. The harmonization of cross-sections is carried out by combination of new experimental work with re-evaluation of the existing cross-sections data. New laboratory measurements of ozone cross-section are underway that will improve a) absolute scaling of cross-sections, b) temper-ature dependence of cross-sections (using very low temperatures starting at 190 K and higher sampling of temperatures up to room temperature) and c) improved wavelength calibration. We take advantage of a Fourier transform spectrometer (visible, near IR) and Echelle spectropho-tometer (UV, visible) to extend the dynamic range of the system (covering several orders of magnitude in cross-sections from UV up to the near IR). We plan to cover the spectral range 220 -1000 nm at a spectral resolution of 0.02 nm in UV/VIS with absolute intensity accuracy of at least 2%, and wavelength accuracy better than 0.001 nm in the temperature range 193-293 K in 10 K steps. A lot of attention is paid to the accuracy of determining the temperature of the ozone flow and new methods for absolute calibration of relative spectra. This work is in progress. Based on the results of the work, it is expected that the ozone data quality and time series will improve significantly as required for climate, air quality, and strato-spheric ozone trend studies. Updated ozone cross-sections will be available for reprocessing with satellite spectrometers and to the scientific community as well.

Design progress of the solar UV-Vis-IR telescope (SUVIT) aboard SOLAR-C

NASA Astrophysics Data System (ADS)

Katsukawa, Y.; Ichimoto, K.; Suematsu, Y.; Hara, H.; Kano, R.; Shimizu, T.; Matsuzaki, K.

2013-09-01

We present a design progress of the Solar UV-Vis-IR Telescope (SUVIT) aboard the next Japanese solar mission SOLAR-C. SUVIT has an aperture diameter of ~1.4 m for achieving spectro-polarimetric observations with spatial and temporal resolution exceeding the Hinode Solar Optical Telescope (SOT). We have studied structural and thermal designs of the optical telescope as well as the optical interface between the telescope and the focal plane instruments. The focal plane instruments are installed into two packages, filtergraph and spectrograph packages. The spectropolarimeter is the instrument dedicated to accurate polarimetry in the three spectrum windows at 525 nm, 854 nm, and 1083 nm for observing magnetic fields at both the photospheric and chromospheric layers. We made optical design of the spectrograph accommodating the conventional slit spectrograph and the integral field unit (IFU) for two-dimensional coverage. We are running feasibility study of the IFU using fiber arrays consisting of rectangular cores.

An Octanuclear Metallosupramolecular Cage Designed To Exhibit Spin-Crossover Behavior.

PubMed

Struch, Niklas; Bannwarth, Christoph; Ronson, Tanya K; Lorenz, Yvonne; Mienert, Bernd; Wagner, Norbert; Engeser, Marianne; Bill, Eckhard; Puttreddy, Rakesh; Rissanen, Kari; Beck, Johannes; Grimme, Stefan; Nitschke, Jonathan R; Lützen, Arne

2017-04-24

By employing the subcomponent self-assembly approach utilizing 5,10,15,20-tetrakis(4-aminophenyl)porphyrin or its zinc(II) complex, 1H-4-imidazolecarbaldehyde, and either zinc(II) or iron(II) salts, we were able to prepare O-symmetric cages having a confined volume of ca. 1300 Å 3 . The use of iron(II) salts yielded coordination cages in the high-spin state at room temperature, manifesting spin-crossover in solution at low temperatures, whereas corresponding zinc(II) salts led to the corresponding diamagnetic analogues. The new cages were characterized by synchrotron X-ray crystallography, high-resolution mass spectrometry, and NMR, Mössbauer, IR, and UV/Vis spectroscopy. The cage structures and UV/Vis spectra were independently confirmed by state-of-the-art DFT calculations. A remarkably high-spin-stabilizing effect through encapsulation of C 70 was observed. The spin-transition temperature T 1/2 is lowered by 20 K in the host-guest complex. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Thermal edible oil evaluation by UV-Vis spectroscopy and chemometrics.

PubMed

Gonçalves, Rhayanna P; Março, Paulo H; Valderrama, Patrícia

2014-11-15

Edible oils such as colza, corn, sunflower, soybean and olive were analysed by UV-Vis spectroscopy and Multivariate Curve Resolution with Alternating Least Squares (MCR-ALS). When vegetable oils were heated at high temperatures (frying), oxidation products were formed which were harmful to human health in addition to degrading the antioxidants present, and this study aimed to evaluate tocopherol (one antioxidant present in oils) and the behaviour of oxidation products in edible oils. The MCR-ALS results showed that the degradation started at 110°C and 85°C, respectively, for sunflower and colza oils, while tocopherol concentration decreased and oxidation products increased starting at 70°C in olive oil. In soybean and corn oils, tocopherol concentration started to decrease and oxidation products increased at 50°C. The results suggested that sunflower, colza and olive oils offered more resistance to increasing temperatures, while soybean and corn oils were less resistant. Copyright © 2014 Elsevier Ltd. All rights reserved.

sCMOS detector for imaging VNIR spectrometry

NASA Astrophysics Data System (ADS)

Eckardt, Andreas; Reulke, Ralf; Schwarzer, Horst; Venus, Holger; Neumann, Christian

2013-09-01

The facility Optical Information Systems (OS) at the Robotics and Mechatronics Center of the German Aerospace Center (DLR) has more than 30 years of experience with high-resolution imaging technology. This paper shows the scientific results of the institute of leading edge instruments and focal plane designs for EnMAP VIS/NIR spectrograph. EnMAP (Environmental Mapping and Analysis Program) is one of the selected proposals for the national German Space Program. The EnMAP project includes the technological design of the hyper spectral space borne instrument and the algorithms development of the classification. The EnMAP project is a joint response of German Earth observation research institutions, value-added resellers and the German space industry like Kayser-Threde GmbH (KT) and others to the increasing demand on information about the status of our environment. The Geo Forschungs Zentrum (GFZ) Potsdam is the Principal Investigator of EnMAP. DLR OS and KT were driving the technology of new detectors and the FPA design for this project, new manufacturing accuracy and on-chip processing capability in order to keep pace with the ambitious scientific and user requirements. In combination with the engineering research, the current generations of space borne sensor systems are focusing on VIS/NIR high spectral resolution to meet the requirements on earth and planetary observation systems. The combination of large swath and high spectral resolution with intelligent synchronization control, fast-readout ADC chains and new focal-plane concepts open the door to new remote-sensing and smart deep space instruments. The paper gives an overview over the detector verification program at DLR on FPA level, new control possibilities for sCMOS detectors in global shutter mode and key parameters like PRNU, DSNU, MTF, SNR, Linearity, Spectral Response, Quantum Efficiency, Flatness and Radiation Tolerance will be discussed in detail.

Observing the high redshift Universe with Euclid

NASA Astrophysics Data System (ADS)

Laureijs, René; Euclid Collaboration

2018-05-01

Euclid enables the exploration of large sky areas with diffraction limited resolution in the optical and near-infrared, and is sensitive enough to detect targets at cosmological distances. This combination of capabilities gives Euclid a clear advantage over telescope facilities with larger apertures, both on ground and in space. The decision to mount in the NISP instrument one extra grism for the wavelength range 0.92-1.3 μm with a spectral resolution of R ~260 makes possible a rest-frame UV survey of the early Universe in the redshift range 6.5 < z < 9.7. Euclid's standard imaging with VIS in the 0.55-0.9 μm band and with NISP in the Y, J, H bands provide complementary photometry for further target identification and characterization. Euclid is a suitable facility to discover and map the spatial distribution of rare high-redshift targets and to collect statistically relevant samples, in particular of high redshift Lyα emitters and QSOs, which can be used as signposts of the cosmic structures. The Euclid surveys are also a starting point for deeper follow up observations of the individual high-z objects. We present the Euclid mission and discuss the detectability of high-z objects to probe the epoch of ionization.

Faint Object Camera observations of M87 - The jet and nucleus

NASA Technical Reports Server (NTRS)

Boksenberg, A.; Macchetto, F.; Albrecht, R.; Barbieri, C.; Blades, J. C.; Crane, P.; Deharveng, J. M.; Disney, M. J.; Jakobsen, P.; Kamperman, T. M.

1992-01-01

UV and optical images of the central region and jet of the nearby elliptical galaxy M87 have been obtained with about 0.1 arcsec resolution in several spectral bands with the Faint Object Camera (FOC) on the HST, including polarization images. Deconvolution enhances the contrast of the complex structure and filamentary patterns in the jet already evident in the aberrated images. Morphologically there is close similarity between the FOC images of the extended jet and the best 2-cm radio maps obtained at similar resolution, and the magnetic field vectors from the UV and radio polarimetric data also correspond well. We observe structure in the inner jet within a few tenths arcsec of the nucleus which also has been well studied at radio wavelengths. Our UV and optical photometry of regions along the jet shows little variation in spectral index from the value 1.0 between markedly different regions and no trend to a steepening spectrum with distance along the jet.

BTDI detector technology for reconnaissance application

NASA Astrophysics Data System (ADS)

Hilbert, Stefan; Eckardt, Andreas; Krutz, David

2017-11-01

The Institute of Optical Sensor Systems (OS) at the Robotics and Mechatronics Center of the German Aerospace Center (DLR) has more than 30 years of experience with high-resolution imaging technology. This paper shows the institute's scientific results of the leading-edge detector design in a BTDI (Bidirectional Time Delay and Integration) architecture. This project demonstrates an approved technological design for high or multi-spectral resolution spaceborne instruments. DLR OS and BAE Systems were driving the technology of new detectors and the FPA design for future projects, new manufacturing accuracy in order to keep pace with ambitious scientific and user requirements. Resulting from customer requirements and available technologies the current generation of space borne sensor systems is focusing on VIS/NIR high spectral resolution to meet the requirements on earth and planetary observation systems. The combination of large swath and high-spectral resolution with intelligent control applications and new focal plane concepts opens the door to new remote sensing and smart deep space instruments. The paper gives an overview of the detector development and verification program at DLR on detector module level and key parameters like SNR, linearity, spectral response, quantum efficiency, PRNU, DSNU and MTF.

Evaluating the capabilities of vegetation spectral indices on chlorophyll content estimation at Sentinel-2 spectral resolutions

NASA Astrophysics Data System (ADS)

Sun, Qi; Jiao, Quanjun; Dai, Huayang

2018-03-01

Chlorophyll is an important pigment in green plants for photosynthesis and obtaining the energy for growth and development. The rapid, nondestructive and accurate estimation of chlorophyll content is significant for understanding the crops growth, monitoring the disease and insect, and assessing the yield of crops. Sentinel-2 equipped with the Multi-Spectral Instrument (MSI), which will provide images with high spatial, spectral and temporal resolution. It covers the VNIR/SWIR spectral region in 13 bands and incorporates two new spectral bands in the red-edge region and a spatial resolution of 20nm, which can be used to derive vegetation indices using red-edge bands. In this paper, we will focus on assessing the potential of vegetation spectral indices for retrieving chlorophyll content from Sentinel-2 at different angles. Subsequently, we used in-situ spectral data and Sentinel-2 data to test the relationship between VIs and chlorophyll content. The REP, MTCI, CIred-edge, CIgreen, Macc01, TCARI/OSAVI [705,750], NDRE1 and NDRE2 were calculated. NDRE2 index displays a strongly similar result for hyperspectral and simulated Sentinel-2 spectral bands (R2 =0.53, R2 =0.51, for hyperspectral and Sentinel-2, respectively). At different observation angles, NDRE2 has the smallest difference in performance (R2 = 0.51, R2 =0.64, at 0° and 15° , respectively).

Visualization of the spatial and spectral signals of orb-weaving spiders, Nephila pilipes, through the eyes of a honeybee.

PubMed

Chiao, Chuan-Chin; Wu, Wen-Yen; Chen, Sheng-Hui; Yang, En-Cheng

2009-07-01

It is well known that the honeybee has good color vision. However, the spectral range in which the bee can see is different from that of the human eye. To study how bees view their world of colors, one has to see through the eyes of the bee, not the eyes of a human. A conventional way to examine the color signals that animals can detect is to measure the surface reflectance spectra and compute the quantum catches of each photoreceptor type based on its known spectral sensitivity. Color signal and color contrast are then determined from the loci of these quantum catches in the color space. While the point-by-point measurements of the reflectance spectra using a standard spectrometer have yielded a significant amount of data for analyzing color signals, the lack of spatial information and low sampling efficiency constrain their applications. Using a special filter coating technique, a set of filters with transmission spectra that were closely matched to the bee's sensitivity spectra of three photoreceptor types (UV, blue, and green) was custom made. By placing these filters in front of a UV/VIS-sensitive CCD camera and acquiring images sequentially, we could collect images of a bee's receptor with only three shots. This allowed a direct visualization of how bees view their world in a pseudo-color RGB display. With this imaging system, spatial and spectral signals of the orb-weaving spider, Nephila pilipes, were recorded, and color contrast images corresponding to the bee's spatial resolution were constructed and analyzed. The result not only confirmed that the color markings of N. pilipes are of high chromatic contrast to the eyes of a bee, but it also indicated that the spatial arrangement of these markings resemble flower patterns which may attract bees to visit them. Thus, it is likely that the orb-weaving spider (N. pilipes) deploys a similar strategy to that of the Australian crab spider (Thomisus spectabilis) to exploit the bee's pre-existing preference for flowers with color patterning.

NIR-Vis-UV Light-Responsive Actuator Films of Polymer-Dispersed Liquid Crystal/Graphene Oxide Nanocomposites.

PubMed

Cheng, Zhangxiang; Wang, Tianjie; Li, Xiao; Zhang, Yihe; Yu, Haifeng

2015-12-16

To take full advantage of sunlight for photomechanical materials, NIR-vis-UV light-responsive actuator films of polymer-dispersed liquid crystal (PDLC)/graphene oxide (GO) nanocomposites were fabricated. The strategy is based on phase transition of LCs from nematic to isotropic phase induced by combination of photochemical and photothermal processes in the PDLC/GO nanocomposites. Upon mechanical stretching of the film, both topological shape change and mesogenic alignment occurred in the separated LC domains, enabling the film to respond to NIR-vis-UV light. The homodispersed GO flakes act as photoabsorbent and nanoscale heat source to transfer NIR or VIS light into thermal energy, heating the film and photothermally inducing phase transition of LC microdomains. By utilizing photochemical phase transition of LCs upon UV-light irradiation, one azobenzene dye was incorporated into the LC domains, endowing the nanocomposite films with UV-responsive property. Moreover, the light-responsive behaviors can be well-controlled by adjusting the elongation ratio upon mechanical treatment. The NIR-vis-UV light-responsive PDLC/GO nanocomposite films exhibit excellent properties of easy fabrication, low-cost, and good film-forming and mechanical features, promising their numerous applications in the field of soft actuators and optomechanical systems driven directly by sunlight.

FT-IR, UV-vis, 1H and 13C NMR spectra and the equilibrium structure of organic dye molecule disperse red 1 acrylate: a combined experimental and theoretical analysis.

PubMed

Cinar, Mehmet; Coruh, Ali; Karabacak, Mehmet

2011-12-01

This study reports the characterization of disperse red 1 acrylate compound by spectral techniques and quantum chemical calculations. The spectroscopic properties were analyzed by FT-IR, UV-vis, (1)H NMR and (13)C NMR techniques. FT-IR spectrum in solid state was recorded in the region 4000-400 cm(-1). The UV-vis absorption spectrum of the compound that dissolved in methanol was recorded in the range of 200-800 nm. The (1)H and (13)C NMR spectra were recorded in CDCl(3) solution. The structural and spectroscopic data of the molecule in the ground state were calculated using density functional theory (DFT) employing B3LYP exchange correlation and the 6-311++G(d,p) basis set. The vibrational wavenumbers were calculated and scaled values were compared with experimental FT-IR spectrum. A satisfactory consistency between the experimental and theoretical spectra was obtained and it shows that the hybrid DFT method is very useful in predicting accurate vibrational structure, especially for high-frequency region. The complete assignments were performed on the basis of the experimental results and total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method. Isotropic chemical shifts were calculated using the gauge-invariant atomic orbital (GIAO) method. A study on the electronic properties were performed by timedependent DFT (TD-DFT) and CIS(D) approach. To investigate non linear optical properties, the electric dipole moment μ, polarizability α, anisotropy of polarizability Δα and molecular first hyperpolarizability β were computed. The linear polarizabilities and first hyperpolarizabilities of the studied molecule indicate that the compound can be a good candidate of nonlinear optical materials. Copyright © 2011 Elsevier B.V. All rights reserved.

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.

Analysis of anthocyanins in commercial fruit juices by using nano-liquid chromatography-electrospray-mass spectrometry and high-performance liquid chromatography with UV-vis detector.

PubMed

Fanali, Chiara; Dugo, Laura; D'Orazio, Giovanni; Lirangi, Melania; Dachà, Marina; Dugo, Paola; Mondello, Luigi

2011-01-01

Nano-LC and conventional HPLC techniques were applied for the analysis of anthocyanins present in commercial fruit juices using a capillary column of 100 μm id and a 2.1 mm id narrow-bore C(18) column. Analytes were detected by UV-Vis at 518 nm and ESI-ion trap MS with HPLC and nano-LC, respectively. Commercial blueberry juice (14 anthocyanins detected) was used to optimize chromatographic separation of analytes and other analysis parameters. Qualitative identification of anthocyanins was performed by comparing the recorded mass spectral data with those of published papers. The use of the same mobile phase composition in both techniques revealed that the miniaturized method exhibited shorter analysis time and higher sensitivity than narrow-bore chromatography. Good intra-day and day-to-day precision of retention time was obtained in both methods with values of RSD less than 3.4 and 0.8% for nano-LC and HPLC, respectively. Quantitative analysis was performed by external standard curve calibration of cyanidin-3-O-glucoside standard. Calibration curves were linear in the concentration ranges studied, 0.1-50 and 6-50 μg/mL for HPLC-UV/Vis and nano-LC-MS, respectively. LOD and LOQ values were good for both methods. In addition to commercial blueberry juice, qualitative and quantitative analysis of other juices (e.g. raspberry, sweet cherry and pomegranate) was performed. The optimized nano-LC-MS method allowed an easy and selective identification and quantification of anthocyanins in commercial fruit juices; it offered good results, shorter analysis time and reduced mobile phase volume with respect to narrow-bore HPLC. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Revision of iron(III)-citrate speciation in aqueous solution. Voltammetric and spectrophotometric studies.

PubMed

Vukosav, Petra; Mlakar, Marina; Tomišić, Vladislav

2012-10-01

A detailed study of iron (III)-citrate speciation in aqueous solution (θ=25°C, I(c)=0.7 mol L(-1)) was carried out by voltammetric and UV-vis spectrophotometric measurements and the obtained data were used for reconciled characterization of iron (III)-citrate complexes. Four different redox processes were registered in the voltammograms: at 0.1 V (pH=5.5) which corresponded to the reduction of iron(III)-monocitrate species (Fe:cit=1:1), at about -0.1 V (pH=5.5) that was related to the reduction of FeL(2)(5-), FeL(2)H(4-) and FeL(2)H(2)(3-) complexes, at -0.28 V (pH=5.5) which corresponded to the reduction of polynuclear iron(III)-citrate complex(es), and at -0.4V (pH=7.5) which was probably a consequence of Fe(cit)(2)(OH)(x) species reduction. Reversible redox process at -0.1 V allowed for the determination of iron(III)-citrate species and their stability constants by analyzing E(p) vs. pH and E(p) vs. [L(4-)] dependence. The UV-vis spectra recorded at varied pH revealed four different spectrally active species: FeLH (logβ=25.69), FeL(2)H(2)(3-) (log β=48.06), FeL(2)H(4-) (log β=44.60), and FeL(2)(5-) (log β=38.85). The stability constants obtained by spectrophotometry were in agreement with those determined electrochemically. The UV-vis spectra recorded at various citrate concentrations (pH=2.0) supported the results of spectrophotometric-potentiometric titration. Copyright © 2012 Elsevier B.V. All rights reserved.

Development of variable pathlength UV-vis spectroscopy combined with partial-least-squares regression for wastewater chemical oxygen demand (COD) monitoring.

PubMed

Chen, Baisheng; Wu, Huanan; Li, Sam Fong Yau

2014-03-01

To overcome the challenging task to select an appropriate pathlength for wastewater chemical oxygen demand (COD) monitoring with high accuracy by UV-vis spectroscopy in wastewater treatment process, a variable pathlength approach combined with partial-least squares regression (PLSR) was developed in this study. Two new strategies were proposed to extract relevant information of UV-vis spectral data from variable pathlength measurements. The first strategy was by data fusion with two data fusion levels: low-level data fusion (LLDF) and mid-level data fusion (MLDF). Predictive accuracy was found to improve, indicated by the lower root-mean-square errors of prediction (RMSEP) compared with those obtained for single pathlength measurements. Both fusion levels were found to deliver very robust PLSR models with residual predictive deviations (RPD) greater than 3 (i.e. 3.22 and 3.29, respectively). The second strategy involved calculating the slopes of absorbance against pathlength at each wavelength to generate slope-derived spectra. Without the requirement to select the optimal pathlength, the predictive accuracy (RMSEP) was improved by 20-43% as compared to single pathlength spectroscopy. Comparing to nine-factor models from fusion strategy, the PLSR model from slope-derived spectroscopy was found to be more parsimonious with only five factors and more robust with residual predictive deviation (RPD) of 3.72. It also offered excellent correlation of predicted and measured COD values with R(2) of 0.936. In sum, variable pathlength spectroscopy with the two proposed data analysis strategies proved to be successful in enhancing prediction performance of COD in wastewater and showed high potential to be applied in on-line water quality monitoring. Copyright © 2013 Elsevier B.V. All rights reserved.

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.

Unveiling the Aggregation of Lycopene in Vitro and in Vivo: UV-Vis, Resonance Raman, and Raman Imaging Studies.

PubMed

Ishigaki, Mika; Meksiarun, Phiranuphon; Kitahama, Yasutaka; Zhang, Leilei; Hashimoto, Hideki; Genkawa, Takuma; Ozaki, Yukihiro

2017-08-31

The present study investigates the structure of lycopene aggregates both in vitro and in vivo using ultraviolet-visible (UV-vis) and Raman spectroscopies. The electronic absorption bands of the J- and H-aggregates in vitro shift to lower and higher energies, respectively, compared to that of the lycopene monomer. Along with these results, the frequencies of the ν 1 Raman bands were shifted to lower and higher frequencies, respectively. By plotting the frequencies of the ν 1 Raman band against the S 0 → S 2 transition energy, a linear relationship between the data set with different aggregation conformations can be obtained. Therefore, the band positions depending on the different conformations can be explained based on the idea that the effective conjugated C═C chain lengths within lycopene molecules are different due to the environmental effect (site-shift effect) caused by the aggregation conformation. Applying this knowledge to the in vivo measurement of a tomato fruit sample, the relationship between the aggregation conformation of lycopene and the spectral patterns observed in the UV-vis as well as Raman spectra in different parts of tomato fruits was discussed in detail. The results showed that the concentration of lycopene (particularly that of the J-aggregate) specifically increased, whereas that of chlorophyll decreased, with ripening. Furthermore, Raman imaging indicated that lycopene with different aggregate conformations was distributed inhomogeneously, even within one sample. The layer formation in tomato tissues with high concentrations of J- and H-aggregates was successfully visualized. In this manner, the presence of lycopene distributions with different aggregate conformations was unveiled in vivo.

Response of spectral vegetation indices to soil moisture in grasslands and shrublands

USGS Publications Warehouse

Zhang, Li; Ji, Lei; Wylie, Bruce K.

2011-01-01

The relationships between satellite-derived vegetation indices (VIs) and soil moisture are complicated because of the time lag of the vegetation response to soil moisture. In this study, we used a distributed lag regression model to evaluate the lag responses of VIs to soil moisture for grasslands and shrublands at Soil Climate Analysis Network sites in the central and western United States. We examined the relationships between Moderate Resolution Imaging Spectroradiometer (MODIS)-derived VIs and soil moisture measurements. The Normalized Difference Vegetation Index (NDVI) and Normalized Difference Water Index (NDWI) showed significant lag responses to soil moisture. The lag length varies from 8 to 56 days for NDVI and from 16 to 56 days for NDWI. However, the lag response of NDVI and NDWI to soil moisture varied among the sites. Our study suggests that the lag effect needs to be taken into consideration when the VIs are used to estimate soil moisture.

Definition of a metrology servo-system for a solar imaging fourier transform spectrometer working in the far UV (IFTSUV)

NASA Astrophysics Data System (ADS)

Ruiz de Galarreta Fanju, C.; Philippon, A.; Bouzit, M.; Appourchaux, T.; Vial, J.-C.; Maillard, J.-P.; Lemaire, P.

2017-11-01

The understanding of the solar outer atmosphere requires a simultaneous combination of imaging and spectral observations concerning the far UV lines that arise from the high chromospheres up to the corona. These observations must be performed with enough spectral, spatial and temporal resolution to reveal the small atmospheric structures and to resolve the solar dynamics. An Imaging Fourier Transform Spectrometer working in the far-UV (IFTSUV, Figure 1) is an attractive instrumental solution to fulfill these requirements. However, due to the short wavelength, to preserve IFTSUV spectral precision and Signal to Noise Ratio (SNR) requires a high optical surface quality and a very accurate (linear and angular) metrology to maintain the optical path difference (OPD) during the entire scanning process by: optical path difference sampling trigger; and dynamic alignment for tip/tilt compensation (Figure 2).

SWIR, VIS and LWIR observer performance against handheld objects: a comparison

NASA Astrophysics Data System (ADS)

Adomeit, Uwe

2016-10-01

The short wave infrared spectral range caused interest to be used in day and night time military and security applications in the last years. This necessitates performance assessment of SWIR imaging equipment in comparison to the one operating in the visual (VIS) and thermal infrared (LWIR) spectral range. In the military context (nominal) range is the main performance criteria. Discriminating friend from foe is one of the main tasks in today's asymmetric scenarios and so personnel, human activities and handheld objects are used as targets to estimate ranges. The later was also used for an experiment at Fraunhofer IOSB to get a first impression how the SWIR performs compared to VIS and LWIR. A human consecutively carrying one of nine different civil or military objects was recorded from five different ranges in the three spectral ranges. For the visual spectral range a 3-chip color-camera was used, the SWIR range was covered by an InGaAs-camera and the LWIR by an uncooled bolometer. It was ascertained that the nominal spatial resolution of the three cameras was in the same magnitude in order to enable an unbiased assessment. Daytime conditions were selected for data acquisition to separate the observer performance from illumination conditions and to some extend also camera performance. From the recorded data, a perception experiment was prepared. It was conducted as a nine-alternative forced choice, unlimited observation time test with 15 observers participating. Before the experiment, the observers were trained on close range target data. Outcome of the experiment was the average probability of identification versus range between camera and target. The comparison of the range performance achieved in the three spectral bands gave a mixed result. On one hand a ranking VIS / SWIR / LWIR in decreasing order can be seen in the data, but on the other hand only the difference between VIS and the other bands is statistically significant. Additionally it was not possible to explain the outcome with typical contrast metrics. Probably form is more important than contrast here as long as the contrast is generally high enough. These results were unexpected and need further exploration.

An innovative application of time-domain spectroscopy on localized surface plasmon resonance sensing

NASA Astrophysics Data System (ADS)

Li, Meng-Chi; Chang, Ying-Feng; Wang, Huai-Yi; Lin, Yu-Xen; Kuo, Chien-Cheng; Annie Ho, Ja-An; Lee, Cheng-Chung; Su, Li-Chen

2017-03-01

White-light scanning interferometry (WLSI) is often used to study the surface profiles and properties of thin films because the strength of the technique lies in its ability to provide fast and high resolution measurements. An innovative attempt is made in this paper to apply WLSI as a time-domain spectroscopic system for localized surface plasmon resonance (LSPR) sensing. A WLSI-based spectrometer is constructed with a breadboard of WLSI in combination with a spectral centroid algorithm for noise reduction and performance improvement. Experimentally, the WLSI-based spectrometer exhibits a limit of detection (LOD) of 1.2 × 10-3 refractive index units (RIU), which is better than that obtained with a conventional UV-Vis spectrometer, by resolving the LSPR peak shift. Finally, the bio-applicability of the proposed spectrometer was investigated using the rs242557 tau gene, an Alzheimer’s and Parkinson’s disease biomarker. The LOD was calculated as 15 pM. These results demonstrate that the proposed WLSI-based spectrometer could become a sensitive time-domain spectroscopic biosensing platform.

Plant-mediated synthesis of silver nanoparticles using parsley ( Petroselinum crispum) leaf extract: spectral analysis of the particles and antibacterial study

NASA Astrophysics Data System (ADS)

Roy, Kaushik; Sarkar, C. K.; Ghosh, C. K.

2015-12-01

Synthesis of nanomaterials may involve various routes including physical, chemical and biological approaches. Here, the biological green route was chosen to prepare silver nanoparticles from silver salts to avoid the requirement of costly instruments and involvement of hazardous chemicals as well. To make the process clean and green, leaf extract of parsley ( Petroselinum crispum) was used to synthesize Ag nanoparticles at room temperature. The formation of Ag-nanoparticles was monitored by UV-Vis spectroscopy. The presence of silver in the sample and its crystalline nature were verified by X-ray diffraction (XRD) analysis. The size distribution profile and particle size in the suspension were manipulated from dynamic light scattering (DLS) pattern. The shape, size and morphology of the biogenic nanoparticles were studied using high resolution transmission electron microscope (TEM). Fourier transform infra-red spectroscopy was used to detect the biomolecules responsible for reduction of silver ions. These biogenic Ag-nanoparticles showed appreciable antibacterial efficacy against three bacteria— Klebsiella pneumoniae, Escherichia coli and Staphylococcus aureus.

Studies on growth, thermal, optical, vibrational properties and hyperpolarizability of a complex orthonitroaniline with picric acid

NASA Astrophysics Data System (ADS)

Anandhi, S.; Shyju, T. S.; Gopalakrishnan, R.

2010-11-01

The present article reports the growth of single crystals of a complex Orthonitroaniline with picric acid (2[C 6H 6N 2O 2]·C 6H 2(NO 2) 3OH) (ONAP) by solution growth (slow evaporation) method at room temperature. Single crystal XRD, UV-vis spectral analysis and TGA/DTA studies were carried out. FT-IR and Raman spectra were recorded to explore information of the functional groups. The high-resolution X-ray diffraction curve reveals the internal structural low angle boundaries. The PL spectrum of the title compound shows green emission. Dielectric behaviour was investigated at 33 and 70 °C. The dipole moment and first-order hyperpolarizability ( β) values were evaluated by using Gaussian 98 W software package with the help of B3LYP the density functional theory (DFT) method. The possible modes of vibrations are theoretically predicted by factor group analysis. The mechanical stability of the grown crystal was tested with Vicker's microhardness tester and the work hardening coefficient of the grown material was estimated.

Antioxidant activity and phytochemical compounds of snake fruit (Salacca Zalacca)

NASA Astrophysics Data System (ADS)

Suica-Bunghez, I. R.; Teodorescu, S.; Dulama, I. D.; Voinea, O. C.; imionescu, S.; Ion, R. M.

2016-06-01

Snake fruit (Salacca zalacca) is a palm tree species, which is found in Malaysia and Indonesia. This study was conducted to investigate and compare the composition, total phenolic, flavonoid, tanins and monoterpenoids contents in the core and shell fruits. Concentration values of extracts were obtained from standard curves obtained. Antioxidant activity was determined using DPPH method. For all methods it was used the UV-VIS Specord M40, using different wavelength. The infrared spectral analysis was carried out to caracterized the type of functional group existent in snake fruit parts (shell and core).

Fluorescent Sensing of Guanine and Guanosine Monophosphate with Conjugated Receptors Incorporating Aniline and Naphthyridine Moieties.

PubMed

Lu, Shao-Hung; Phang, Riping; Fang, Jim-Min

2016-04-15

Ethyne-linked naphthyridine-aniline conjugated molecules are selective sensors of decylguanine in dichloromethane and guanosine monophosphate in water (Kass = 16,000 M(-1)). The 2-acetamido-1,8-naphthyridine moiety binds with guanine in a DAA-ADD triply hydrogen-bonded motif. The aniline moiety enhances an electron-donating effect, and the substituent is tuned to attain extra hydrogen bonds, π-π stacking, and electrostatic interactions. The proposed binding modes are supported by a Job plot, ESI-MS, (1)H NMR, UV-vis, and fluorescence spectral analyses.

Pyrrole based Schiff bases as colorimetric and fluorescent chemosensors for fluoride and hydroxide anions.

PubMed

Velmathi, Sivan; Reena, Vijayaraghavan; Suganya, Sivalingam; Anandan, Sambandam

2012-01-01

An efficient colorimetric sensor with pyrrole-NH moiety as binding site and nitro group as a signaling unit has been synthesized by a one step procedure and characterized by spectroscopic techniques, which displays excellent selectivity and sensitivity for fluoride and hydroxide ions. The hydrogen bonding with these anions provides remarkable colorimetric responses. (1)H NMR and FT IR studies has been carried out to confirm the hydrogen bonding. UV-vis and fluorescence spectral changes can be exploited for real time and on site application.

Computational study of some fluoroquinolones: Structural, spectral and docking investigations

NASA Astrophysics Data System (ADS)

Sayin, Koray; Karakaş, Duran; Kariper, Sultan Erkan; Sayin, Tuba Alagöz

2018-03-01

Quantum chemical calculations are performed over norfloxacin, tosufloxacin and levofloxacin. The most stable structures for each molecule are determined by thermodynamic parameters. Then the best level for calculations is determined by benchmark analysis. M062X/6-31 + G(d) level is used in calculations. IR, UV-VIS and NMR spectrum are calculated and examined in detail. Some quantum chemical parameters are calculated and the tendency of activity is recommended. Additionally, molecular docking calculations are performed between related compounds and a protein (ID: 2J9N).

Dihydronaphthalenone Carboxylates - Spectral Characteristics and Structure

NASA Astrophysics Data System (ADS)

Bakalova, Sn.; Georgieva, A.; Nikolov, P.; Stanoeva, E.

1997-05-01

The absorption and luminescence characteristics of a group of newly synthesized methyl esters of 2-alkyl (p-substituted-aryl) -aminomethylene-3,4-dihydro-1(2 H)-naphthalenone-4-carboxylic acids have been investigated. The studied compounds may exist in three tautomeric forms. On the basis of comparison of their electronic spectra to those of similar substances, the observed substituent effect on the position of the UV-VIS absorption bands, the IR spectra and the results of PPP-SCF-CI quantum-chemical calculations it is concluded that the keto tautomer predominates in solution.

Photophysical, electrochemical, thermal and aggregation properties of new metal phthalocyanines

NASA Astrophysics Data System (ADS)

Jeong, Jaemyeng; Kumar, Rangaraju Satish; Mergu, Naveen; Son, Young-A.

2017-11-01

In this study, the synthesis of di(ethylene glycol) naphthalene substituted metal-phthalocyanines was reported. These novel phthalocyanines were characterized by elemental and spectroscopic analysis, including 1H NMR, FT-IR, UV-Vis spectral and MALDI-TOF mass data. The aggregation behavior of these phthalocyanines was examined in chloroform at different concentrations, and we confirmed that the phthalocyanines were non-aggregated. Further thermal stability, electrochemical, theoretical studies and metal sensing properties also investigated. In addition, we successfully prepared phthalocyanine (6d) blended polyurethane electrospun (ES) nanofibers.

NIST High Accuracy Reference Reflectometer-Spectrophotometer

PubMed Central

Proctor, James E.; Yvonne Barnes, P.

1996-01-01

A new reflectometer-spectrophotometer has been designed and constructed using state-of-the-art technology to enhance optical properties of materials measurements over the ultraviolet, visible, and near-infrared (UV-Vis-NIR) wavelength range (200 nm to 2500 nm). The instrument, Spectral Tri-function Automated Reference Reflectometer (STARR), is capable of measuring specular and diffuse reflectance, bidirectional reflectance distribution function (BRDF) of diffuse samples, and both diffuse and non-diffuse transmittance. Samples up to 30 cm by 30 cm can be measured. The instrument and its characterization are described. PMID:27805081

The electrodeposition of multilayers on a polymeric substrate in Flexible Organic Light Emitting Diode (OLED)

NASA Astrophysics Data System (ADS)

Guedes, Andre F. S.; Guedes, Vilmar P.; Tartari, Simone; Cunha, Idaulo Jose

2016-09-01

The development of Organic Light Emitting Diode (OLED), using an optically transparent substrate material and organic semiconductor materials, has been widely utilized by the electronic industry when producing new technological products. The OLED are the base Poly(3,4-ethylenedioxythiophene), PEDOT, Poly(p-phenylenevinylene), PPV, and Polyaniline, PANI, were deposited in Indium Tin Oxide, ITO, and characterized by UV-Visible Spectroscopy (UV-Vis), Optical Parameters (OP) and Scanning Electron Microscopy (SEM). In addition, the thin film obtained by the deposition of PANI, prepared in perchloric acid solution, was identified through PANI-X1. The result obtained by UV-Vis has demonstrated that the PET/ITO/PEDOT/PPV/PANI-X1/Al layer does not have displacement of absorption for wavelengths greaters after spin-coating and electrodeposition. Thus, the spectral irradiance of the OLED informed the irradiance of 100 W/m2, and this result, compared with the standard Light Emitting Diode (LED), has indicated that the OLED has higher irradiance. After 1200 hours of electrical OLED tests, the appearance of nanoparticles visible for images by SEM, to the migration process of organic semiconductor materials, was present, then. Still, similar to the phenomenon of electromigration observed in connections and interconnections of microelectronic devices, the results have revealed a new mechanism of migration, which raises the passage of electric current in OLED.

NIR absorbing diferrocene-containing meso-cyano-BODIPY with a UV-Vis-NIR spectrum remarkably close to that of magnesium tetracyanotetraferrocenyltetraazaporphyrin.

PubMed

Didukh, Natalia O; Zatsikha, Yuriy V; Rohde, Gregory T; Blesener, Tanner S; Yakubovskyi, Viktor P; Kovtun, Yuriy P; Nemykin, Victor N

2016-10-04

Diferrocene-containing meso-cyano-BODIPY (4) was prepared by the direct cyanation/oxidation reaction of symmetric BODIPY 1 followed by Knoevenagel condensation with ferrocenealdehyde. Ferrocene-containing BODIPY 4 was characterized by a variety of spectroscopic, electrochemical, and theoretical methods and its UV-Vis-NIR spectrum has a striking similarity with a UV-Vis-NIR spectrum of the previously reported magnesium 2(3),7(8),12(13),17(18)-tetracyano-3(2),8(7),13(12),18(17)-tetraferrocenyl-5,10,15,20-tetraazaporphyrin.

Coupling Reagent for UV/vis Absorbing Azobenzene-Based Quantitative Analysis of the Extent of Functional Group Immobilization on Silica.

PubMed

Choi, Ra-Young; Lee, Chang-Hee; Jun, Chul-Ho

2018-05-18

A methallylsilane coupling reagent, containing both a N-hydroxysuccinimidyl(NHS)-ester group and a UV/vis absorbing azobenzene linker undergoes acid-catalyzed immobilization on silica. Analysis of the UV/vis absorption band associated with the azobenzene group in the adduct enables facile quantitative determination of the extent of loading of the NHS groups. Reaction of NHS-groups on the silica surface with amine groups of GOx and rhodamine can be employed to generate enzyme or dye-immobilized silica for quantitative analysis.

A study of meteor spectroscopy and physics from earth-orbit: A preliminary survey into ultraviolet meteor spectra

NASA Technical Reports Server (NTRS)

Meisel, D. D.

1976-01-01

Preliminary data required to extrapolate available meteor physics information (obtained in the photographic, visual and near ultraviolet spectral regions) into the middle and far ultraviolet are presented. Wavelength tables, telluric attenuation factors, meteor rates, and telluric airglow data are summarized in the context of near-earth observation vehicle parameters using moderate to low spectral resolution instrumentation. Considerable attenuation is given to the problem of meteor excitation temperatures since these are required to predict the strength of UV features. Relative line intensities are computed for an assumed chondritic composition. Features of greatest predicted intensities, the major problems in meteor physics, detectability of UV meteor events, complications of spacecraft motion, and UV instrumentation options are summarized.

Present and future CCDs for UV and X-ray scientific measurements

NASA Technical Reports Server (NTRS)

Janesick, J. R.; Elliott, S. T.; Mccarthy, J. K.; Marsh, H. H.; Collins, S. A.; Blouke, M. M.

1985-01-01

Interacting quantum efficiencies in excess of 50 percent have been demonstrated with CCDs throughout the spectral range 600-9,00 A, and comparable sensitivity is expected to continue to wavelengths as short as a few Angstroms. Nondispersive X-ray spectra throughout the 250-8000 V range have been obtained with an FWHM spectral resolution of 200-250 eV. At present, however, both spectral and spatial resolution is limited at some energies by the diffusion of photogenerated charge into more than one picture element. Progress in reducing charge diffusion is reported, with particular attention given to a theoretical diffusion model and its implications for further improvement.

Self-assembly of nitrogen-doped carbon nanoparticles: a new ratiometric UV-vis optical sensor for the highly sensitive and selective detection of Hg(2+) in aqueous solution.

PubMed

Ruan, Yudi; Wu, Lie; Jiang, Xiue

2016-05-23

Water-soluble nitrogen-doped carbon nanoparticles (N-CNPs) prepared by the one-step hydrothermal treatment of uric acid were found to show ratiometric changes in their UV-vis spectra due to Hg(2+)-mediated self-assembly. For the first time, such a property was developed into a UV-vis optical sensor for detecting Hg(2+) in aqueous solutions with high sensitively and selectively (detection limit = 1.4 nM). More importantly, this novel sensor exhibits a higher linear sensitivity over a wider concentration range compared with the fluorescence sensor based on the same N-CNPs. This work opens an exciting new avenue to explore the use of carbon nanoparticles in constructing UV-vis optical sensors for the detection of metal ions and the use of carbon nanoparticles as a new building block to self-assemble into superlattices.

Directional Degradation of Spectralon Diffuser Under Ionizing Radiation for Calibration of Space-Based Sensors

NASA Technical Reports Server (NTRS)

Georgiev, G. T.; Butler, J. J.; Kowalewski, M. G.; Ding, L.

2012-01-01

Assessment of the effect of Vacuum Ultra Violet (VUV) irradiation on the Bidirectional Reflectance Distribution Function (BRDF) of Spectralon is presented in this paper. The sample was a 99% white Spectralon calibration standard irradiated with VUV source positioned at 60o off the irradiation direction for a total of 20 hours. The BRDF before and after VUV irradiation was measured and compared at number of wavelengths in the UV, VIS and IR. Non-isotropic directional degradation of Spectralon diffuser under ionizing radiation was detected at different BRDF measurement geometries primarily at UV spectral range. The 8o directional/hemispherical reflectance of the same sample was also measured and compared from 200nm to 2500nm. Index Terms BRDF, Reflectance, Multiangular, Spectralon, Remote Sensing

Structural, optical and dielectric properties of pure and chromium (Cr) doped nickel oxide nanoparticles

NASA Astrophysics Data System (ADS)

Gupta, Jhalak; Ahmed, Arham S.

2018-05-01

The pure and Cr doped nickel oxide (NiO) nanoparticles have been synthesized by cost effective co-precipitation method having nickel nitrate as initial precursor. The synthesized samples were characterized by X-Ray diffraction (XRD), UV-Visible Spectroscopy(UV-Vis) and LCR meter for structural, optical and dielectric properties respectively. The crystallite size of pure nickel oxide nanoparticles characterized by XRD using Debye Scherer's formula was found to be 21.7nm and the same decreases on increasing Cr concentration whereas optical and dielectric properties were analyzed by UV-Vis and LCR meter respectively. The energy band gaps were determined by UV-Vis using Tauc relation.

Synthesis and Spectral Evaluation of Some Unsymmetrical Mesoporphyrinic Complexes

PubMed Central

Boscencu, Rica; Oliveira, Anabela Sousa; Ferreira, Diana P.; Ferreira, Luís Filipe Vieira

2012-01-01

Synthesis and spectral evaluation of new zinc and copper unsymmetrical mesoporphyrinic complexes are reported. Zn(II)-5-(4-acetoxy-3-methoxyphenyl)-10,15,20- tris-(4-carboxymethylphenyl)porphyrin, Zn(II)-5-[(3,4-methylenedioxy)phenyl]-10,15,20- tris-(4-carboxymethylphenyl)porphyrin, Cu(II)-5-(4-acetoxy-3-methoxyphenyl)-10,15,20- tris-(4-carboxymethylphenyl)porphyrin and Cu(II)-5-[(3,4-methylenedioxy)phenyl]-10,15,20- tris-(4-carboxymethylphenyl)porphyrin were synthesized using microwave-assisted synthesis. The complexes were characterized by elemental analysis, FT-IR, UV-Vis, EPR and NMR spectroscopy, which fully confirmed their structure. The spectral absorption properties of the porphyrinic complexes were studied in solvents with different polarities. Fluorescence emission and singlet oxygen formation quantum yields were evaluated for the compounds under study, revealing high yields for the zinc derivatives. The copper complexes are not emissive and only display residual capacity for singlet oxygen formation. PMID:22942693

A chemosensor for micro- to nano-molar detection of Ag+ and Hg2+ ions in pure aqueous media and its applications in cell imaging.

PubMed

Nandre, Jitendra P; Patil, Samadhan R; Sahoo, Suban K; Pradeep, Chullikkattil P; Churakov, Andrei; Yu, Fabiao; Chen, Lingxin; Redshaw, Carl; Patil, Ashok A; Patil, Umesh D

2017-10-24

The pyridine substituted thiourea derivative PTB-1 was synthesized and characterized by spectroscopic techniques as well as by single crystal X-ray crystallography. The metal ion sensing ability of PTB-1 was explored by various experimental (naked-eye, UV-Vis, fluorescence, mass spectrometry and 1 H NMR spectroscopy) and theoretical (B3LYP/6-31G**/LANL2DZ) methods. PTB-1 exhibited a highly selective naked-eye detectable color change from colorless to dark brown and UV-Vis spectral changes for the detection of Ag + with a detection limit of 3.67 μM in aqueous medium. The detection of Ag + ions was achieved by test paper strip and supported silica methods. In contrast, PTB-1 exhibited a 23-fold enhanced emission at 420 nm in the presence of Hg 2+ ions with a nano-molar detection limit of 0.69 nM. Finally, the sensor PTB-1 was applied successfully for the intracellular detection of Hg 2+ ions in a HepG2 liver cell line, which was monitored by the use of confocal imaging techniques.

Polarization, excited states, trans-cis properties and anisotropy of thermal and electrical conductivity of the 4-(phenyldiazenyl)aniline in PVA matrix

NASA Astrophysics Data System (ADS)

Shahab, Siyamak; Filippovich, Liudmila; Sheikhi, Masoome; Kumar, Rakesh; Dikusar, Evgenij; Yahyaei, Hooriye; Muravsky, Alexander

2017-08-01

In the present work, Polarization, Excited States, Trans-Cis (E → Z) Isomerization Properties and Anisotropy of Thermal and Electrical Conductivity of the 4-(phenyldiazenyl)aniline in the presence of polyvinyl alcohol (PVA) matrix were studied. DFT, UV/Vis, IR-Spectroscopies and Indicator Method were used for Determination of Thermal Conductivity of polymer films. The absorption spectra of the 4-(phenyldiazenyl)aniline in dimethylformamide (DMF) solvent and in aqueous medium were calculated. The nature of absorption peaks of the 4-(phenyldiazenyl)aniline in the UV/Vis spectral regions were interpreted. The solvent effect on the absorption spectrum of the 4-(phenyldiazenyl)aniline has established. The molecular HOMO-LUMO, excitation energies and oscillator strengths for E and Z isomers of the 4-(phenyldiazenyl)aniline have also been calculated and presented. Optical Properties of the PVA-films containing 4-(phenyldiazenyl)aniline have been also investigated. Polarizing Efficiency (PE) of obtained PVA-film is 98-99% at Stretching Degree (Rs) 3.5. Anisotropy of thermal and electrical conductivity of PVA-films containing E and Z isomers of the 4-(phenyldiazenyl)aniline was also measured and discussed.

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.

Spectral and quantum chemical studies on 1,3-bis(N(1)-4-amino-6-methoxypyrimidinebenzenesulfonamide-2,2,4,4-ethane-1,2-dithiol)-2,4-dichlorocyclodiphosph(V)azane and its erbium complex.

PubMed

Al-Mogren, Muneerah M; Alaghaz, Abdel-Nasser M A; El-Gogary, Tarek M

2014-01-24

Novel 1,3-bis(N(1)-4-amino-6-methoxypyrimidine-benzenesulfonamide-2,2,4,4-ethane-1,2-dithiol)-2,4-dichlorocyclodiphosph(V)azane (L), was prepared and their coordinating behavior towards the lanthanide ion Er(III) was studied. The structures of the isolated products are proposed based on elemental analyses, IR, UV-VIS., (1)H NMR, (13)C NMR, (31)P NMR, SEM, XRD, mass spectra, effective magnetic susceptibility measurements and thermogravimetric analysis (TGA). Computational studies have been carried out at the DFT-B3LYP/6-31G(d) level of theory on the structural and spectroscopic properties of 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 17.7 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 compared by the measured electronic spectra. Copyright © 2013 Elsevier B.V. All rights reserved.

Where Is the Electronic Oscillator Strength? Mapping Oscillator Strength across Molecular Absorption Spectra.

PubMed

Zheng, Lianjun; Polizzi, Nicholas F; Dave, Adarsh R; Migliore, Agostino; Beratan, David N

2016-03-24

The effectiveness of solar energy capture and conversion materials derives from their ability to absorb light and to transform the excitation energy into energy stored in free carriers or chemical bonds. The Thomas-Reiche-Kuhn (TRK) sum rule mandates that the integrated (electronic) oscillator strength of an absorber equals the total number of electrons in the structure. Typical molecular chromophores place only about 1% of their oscillator strength in the UV-vis window, so individual chromophores operate at about 1% of their theoretical limit. We explore the distribution of oscillator strength as a function of excitation energy to understand this circumstance. To this aim, we use familiar independent-electron model Hamiltonians as well as first-principles electronic structure methods. While model Hamiltonians capture the qualitative electronic spectra associated with π electron chromophores, these Hamiltonians mistakenly focus the oscillator strength in the fewest low-energy transitions. Advanced electronic structure methods, in contrast, spread the oscillator strength over a very wide excitation energy range, including transitions to Rydberg and continuum states, consistent with experiment. Our analysis rationalizes the low oscillator strength in the UV-vis spectral region in molecules, a step toward the goal of oscillator strength manipulation and focusing.

p Ka determinations of xanthene derivates in aqueous solutions by multivariate analysis applied to UV-Vis spectrophotometric data

NASA Astrophysics Data System (ADS)

Batistela, Vagner Roberto; Pellosi, Diogo Silva; de Souza, Franciane Dutra; da Costa, Willian Ferreira; de Oliveira Santin, Silvana Maria; de Souza, Vagner Roberto; Caetano, Wilker; de Oliveira, Hueder Paulo Moisés; Scarminio, Ieda Spacino; Hioka, Noboru

2011-09-01

Xanthenes form to an important class of dyes which are widely used. Most of them present three acid-base groups: two phenolic sites and one carboxylic site. Therefore, the p Ka determination and the attribution of each group to the corresponding p Ka value is a very important feature. Attempts to obtain reliable p Ka through the potentiometry titration and the electronic absorption spectrophotometry using the first and second orders derivative failed. Due to the close p Ka values allied to strong UV-Vis spectral overlap, multivariate analysis, a powerful chemometric method, is applied in this work. The determination was performed for eosin Y, erythrosin B, and bengal rose B, and also for other synthesized derivatives such as 2-(3,6-dihydroxy-9-acridinyl) benzoic acid, 2,4,5,7-tetranitrofluorescein, eosin methyl ester, and erythrosin methyl ester in water. These last two compounds (esters) permitted to attribute the p Ka of the phenolic group, which is not easily recognizable for some investigated dyes. Besides the p Ka determination, the chemometry allowed for estimating the electronic spectrum of some prevalent protolytic species and the substituents effects evaluation.

Structure and spectroscopic study of aqueous Fe(III)-As(V) complexes using UV-Vis, XAS and DFT-TDDFT.

PubMed

Chai, Liyuan; Yang, Jinqin; Zhang, Ning; Wu, Pin-Jiun; Li, Qingzhu; Wang, Qingwei; Liu, Hui; Yi, Haibo

2017-09-01

Aqueous complexes between ferric (Fe(III)) and arsenate (As(V)) are indispensable for understanding the mobility of arsenic (As) in Fe(III)-As(V)-rich systems. In this study, aqueous Fe(III)-As(V) complexes, FeH 2 AsO 4 2+ and FeHAsO 4 + , were postulated based on the qualitative analysis of UV-Vis spectra in both Fe(III)-As(V)-HClO 4 and Fe(III)-As(V)-H 2 SO 4 systems. Subsequently, monodentate structures were evidenced by Fe K-edge EXAFS and modeled as [FeH 2 AsO 4 (H 2 O) 5 ] 2+ and [FeHAsO 4 (H 2 O) 5 ] + by DFT. The feature band at ∼280 nm was verified as electron excitation chiefly from Fe-As-bridged O atoms to d-orbital of Fe in [FeH 2 AsO 4 (H 2 O) 5 ] 2+ and [FeHAsO 4 (H 2 O) 5 ] + . The structural and spectral information of Fe(III)-As(V) complexes will enable future speciation analysis in Fe(III)-As(V)-rich system. Copyright © 2017. Published by Elsevier Ltd.

Design of geometry, synthesis, spectroscopic (FT-IR, UV/Vis, excited state, polarization) and anisotropy (thermal conductivity and electrical) properties of new synthesized derivatives of (E,E)-azomethines in colored stretched poly (vinyl alcohol) matrix

NASA Astrophysics Data System (ADS)

Shahab, Siyamak; Sheikhi, Masoome; Filippovich, Liudmila; Dikusar, Evgenij; Yahyaei, Hooriye; Kumar, Rakesh; Khaleghian, Mehrnoosh

2018-04-01

In the present work, the molecular structures of two new azomethine dyes: have been predicted and investigated using Density Functional Theory (DFT) in dimethylformamide (DMF). The geometries of the azomethine dyes were optimized by B3LYP/6-31+G* level of theory. The electronic spectra of these azomethine dyes in a DMF solvent was carried out by using TD-B3LYP/6-31+G* method. After quantum-chemical calculations two new azomethine dyes for optoelectronic applications were synthesized. FT-IR spectra of the title compounds are recorded and discussed. The computed absorption spectral data of the azomethine dyes are in good agreement with the experimental data, thus allowing an assignment of the UV/Vis spectra. On the basis of polyvinyl alcohol (PVA) and the new synthesized azomethine dyes polarizing films for visible region of spectrum were developed. The main optical parameters of the polarizing PVA-films (Transmittance, Polarization Efficiency and Dichroic Ratio) have been measured and discussed. Anisotropy of thermal and electrical conductivity of the PVA-films have been studied and explained.

New derivatives of (E,E)-azomethines: Design, quantum chemical modeling, spectroscopic (FT-IR, UV/Vis, polarization) studies, synthesis and their applications: Experimental and theoretical investigations

NASA Astrophysics Data System (ADS)

Sheikhi, Masoome; Shahab, Siyamak; Filippovich, Liudmila; Yahyaei, Hooriye; Dikusar, Evgenij; Khaleghian, Mehrnoosh

2018-01-01

In present work, Polarization, Excited States, FT-IR, 1H, 13C NMR, Trans-Cis (E → Z) Isomerization Properties and Anisotropy of Thermal and Electrical Conductivity of the three new Azomethines dyes such as: 4-((E)-((4-((E)-phenyldiazenyl)phenyl)imino)methyl)benzoic acid (I), 5-phenyl-N-(pyrimidin-2-yl)isoxazole-3-carboxamide (II) and (Z)-1-(4-((E)-((4-phenylcyclopenta-1,4-dien-1-yl)methylene)amino)phenyl)ethanone oxime (III) in the presence of polyvinyl alcohol (PVA) matrix were studied. The absorption spectrum of the I, II and III in dimethylformamide (DMF) solution was calculated. The nature of absorption peaks of the dyes in the UV/Vis spectral regions was interpreted. The molecular HOMO-LUMO, excitation energies and oscillator strengths for E and Z isomers of the I, II and III have also been calculated and presented. Optical Properties of the PVA-films containing these new synthesized dyes have investigated. Polarizing Efficiency (PE) of obtained PVA-film is 97-98% at Stretching Degree (Rs) 3.5. Anisotropy of thermal and electrical conductivity of the PVA-films containing the title compounds was also measured and discussed.

Shedding light on the photostability of two intermolecular charge-transfer complexes between highly fluorescent bis-1,8-naphthalimide dyes and some π-acceptors: A spectroscopic study in solution and solid states

NASA Astrophysics Data System (ADS)

Refat, Moamen S.; Ismail, Lamia A.; Adam, Abdel Majid A.

2015-01-01

Given the great importance of the various uses of 1,8-naphthalimides in the trends of biology, medicine and industry, the current study focused on extending the scope of these dyes by introducing some of their charge-transfer (CT) complexes. For this purpose, two highly fluorescent bis-1,8-naphthalimide dyes and their complexes with some π-acceptors have been synthesized and characterized spectroscopically. The π-acceptors include picric acid (PA), chloranilic acid (CLA), tetracyanoquinodimethane (TCNQ) and dichlorodicyanobenzoquinone (DDQ). The molecular structure, spectroscopic and fluorescence properties as well as the binding modes were deduced from IR, UV-vis and 1H NMR spectral studies. The binding ratio of complexation was determined to be 1:1 according to the elemental analyses and photometric titrations. It has been found that the order of acceptance ability for the different acceptors is TCNQ > DDQ > CLA > PA. The photostability of 1,8-naphthalimide dye as a donor and its charge-transfer complex doped in polymethyl methacrylate/PMMA were exposed to UV-Vis radiation and the change in the absorption spectra was achieved at different times during irradiation period.

Synthesis and Elucidation Structure of Tetrakis-diphenylaminecopper(II) Chloride Hexahydrate

NASA Astrophysics Data System (ADS)

Syaima, H.; Rahardjo, S. B.; Suciningrum, E.

2017-11-01

CuCl2·2H2O with diphenylamine formed a complex compound in 1:4-mole ratio of metal to the ligand in methanol. Its structural properties were investigated by employing metal content analysis by Atomic Absorption Spectroscopy (AAS), magnetic susceptibility, UV-vis and FTIR spectroscopy. The forming of the complex was indicated by shifting of UV-Vis spectra. The result of analysis Cu(II) in the complex showed empirical formula of the complex were Cu(diphenylamine)4Cl2(H2O)6. The electrical conductivity of complex showed the charge ratio of cation and anion = 2:1. Finally, the proposed formula of the complex was [Cu(diphenylamine)4]Cl2·6H2O. Based on infrared spectra, it was revealed that diphenylamine existed as monodentate bind to copper(II) through the functional group of N-H. The electronic spectral study of the complex showed three transition peaks on 861, 592, and 419 nm corresponding to the 2B1g → 2A1g, 2B1g → 2B2g dan 2B1g → 2Eg transitions. The complex was paramagnetic and indicated that ligands form square planar geometry around the Cu(II).

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.

Spectral study on conformation switchable cationic calix[4]carbazole serving as curcumin container, stabilizer and sustained-delivery carrier

NASA Astrophysics Data System (ADS)

Zhao, Liang; Kang, Le; Chen, Yan; Li, Gang; Wang, Lan; Hu, Chun; Yang, Peng

2018-03-01

A fluorescent 2,7-dimethoxy-substituted calix[4]carbazole (1) is facilely synthesized. The spectral behaviors of both the guest-induced switchable conformation of 1 and its abilities serving as the stabilizer and molecular carrier of curcumin are investigated. UV-vis, fluorescence and NMR spectral results show that upon binding to curcumin, the 1,3-alternate conformation of 1 is converted to be the cone one. The relative high association constant (6.4 × 106 M- 1) of 1 binding to curcumin enables it to stabilize the curcumin, to suppress its degradation, and to sustainably deliver it into the EYPC vesicles within 20 h. Moreover, the cytotoxicity assay shows that 1 does not interfere the antiproliferative activities of curcumin. All these properties endow 1 the potential capability of serving as the molecular drug carrier. Our current result may pave the way looking for more efficient fluorescent calixcarbazoles and thereof spectral utilities.

Photoemission Experiments for Charge Characteristics of Individual Dust Grains

NASA Technical Reports Server (NTRS)

Abbas, M. M.; Spann, James F., Jr.; Craven, Paul D.; West, E.; Pratico, Jared; Scheianu, D.; Tankosic, D.; Venturini, C. C.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

Photoemission experiments with UV radiation have been performed to investigate the microphysics and charge characteristics of individual isolated dust grains of various compositions and sizes by using the electrodynamic balance facility at NASA Marshall Space Flight Center. Dust particles of 1 - 100 micrometer diameter are levitated in a vacuum chamber at pressures approx. 10(exp -5) torr and exposed to a collimated beam of UV radiation in the 120-300 nanometers spectral range from a deuterium lamp source with a MgF2 window. A monochromator is used to select the UV radiation wavelength with a spectral resolution of 8 nanometers. The electrodynamic facility permits measurements of the charge and diameters of particles of known composition, and monitoring of photoemission rates with the incident UV radiation. Experiments have been conducted on Al2O3 and silicate particles, and in particular on JSC-1 Mars regolith simulants, to determine the photoelectron yields and surface equilibrium potentials of dust particles when exposed to UV radiation in the 120-250 micrometers spectral range. A brief discussion of the experimental procedure, the results of photoemission experiments, and comparisons with theoretical models will be presented.

EarthFinder: A Precise Radial Velocity Survey Probe Mission of our Nearest Stellar Neighbors for Earth-Mass Habitable Zone Analogs Using High-Resolution UV-Vis-NIR Echelle Spectroscopy on a Space Platform

NASA Astrophysics Data System (ADS)

Plavchan, Peter; EarthFinder Team

2018-01-01

We are investigating the science case for a 1.0-1.4 meter space telescope to survey the closest, brightest FGKM main sequence stars to search for Habitable Zone (HZ) Earth analogs using the precise radial velocity (PRV) technique at a precision of 1-10 cm/s. Our baseline instrument concept uses two diffraction-limited spectrographs operating in the 0.4-1.0 microns and 1.0-2.4 microns spectral regions each with a spectral resolution of R=150,000~200,000, with the possibility of a third UV arm. Because the instrument utilizes a diffraction-limited input beam, the spectrograph would be extremely compact, less than 50 cm on a side, and illumination can be stabilized with the coupling of starlight into single mode fibers. With two octaves of wavelength coverage and a cadence unimpeded by any diurnal, seasonal, and atmospheric effects, EarthFinder will offer a unique platform for recovering stellar activity signals from starspots, plages, granulation, etc. to detect exoplanets at velocity semi-amplitudes currently not obtainable from the ground. Variable telluric absorption and emission lines may potentially preclude achieving PRV measurements at or below 10 cm/s in the visible and <50 cm/s in the near-infrared from the ground. Placed in an Earth-trailing (e.g. Spitzer, Kepler) or Lagrange orbit, the space-based cadence of observations of a star can be year-round at the ecliptic poles, with two ~100-day "seasons" every 6 months in the ecliptic plane. This will provide a distinct advantage compared to an annual ~3-6 month observing season from the ground for mitigating stellar activity and detecting the orbital periods of HZ Earth-mass analogs (e.g. ~6-months to ~2 years). Finally, we are compiling a list of ancillary science cases for the observatory, ranging from asteroseismology to the direct measurement of the expansion of the Universe.

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.

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.

UV astronomy throughout the ages: a historical perspective

NASA Astrophysics Data System (ADS)

Linsky, Jeffrey L.

2018-05-01

Astronomers have long recognized the critical need for ultraviolet imaging, photometry and spectroscopy of stars, planets, and galaxies, but this need could not be satisfied without access to space and the development of efficient instrumentation. When UV measurements became feasible, first with rockets and then with satellites, major discoveries came rapidly. It is true in the UV spectral region as in all others, that significant increases in sensitivity, spectral resolution, and time domain coverage have led to significant new understanding of astrophysical phenomena. I will describe a selection of these discoveries made in each of three eras: (1) the early history of rocket instrumentation and Copernicus, the first UV satellite, (2) the discovery phase pioneered by the IUE, FUSE and EUVE satellites, and (3) the full flowering of UV astronomy with the successful operation of HST and its many instruments. I will also mention a few areas where future UV instrumentation could lead to new discoveries. This review concentrates on developments in stellar and interstellar UV spectroscopy; the major discoveries in galactic, extragalactic, and solar system research are beyond the scope of this review. The important topic of UV technologies and detectors, which enable the remarkable advances in UV astronomy are also not included in this review.

Synthesis, spectroscopy, X-ray crystallography, DFT calculations, DNA binding and molecular docking of a propargyl arms containing Schiff base.

PubMed

Balakrishnan, C; Subha, L; Neelakantan, M A; Mariappan, S S

2015-11-05

A propargyl arms containing Schiff base (L) was synthesized by the condensation of 1-[2-hydroxy-4-(prop-2-yn-1-yloxy)phenyl]ethanone with trans-1,2-diaminocyclohexane. The structure of L was characterized by IR, (1)H NMR, (13)C NMR and UV-Vis spectroscopy and by single crystal X-ray diffraction analysis. The UV-Visible spectral behavior of L in different solvents exhibits positive solvatochromism. Density functional calculation of the L in gas phase was performed by using DFT (B3LYP) method with 6-31G basis set. The computed vibrational frequencies and NMR signals of L were compared with the experimental data. Tautomeric stability study inferred that the enolimine is more stable than the ketoamine form. The charge delocalization has been analyzed using natural bond orbital (NBO) analysis. Electronic absorption and emission spectral studies were used to study the binding of L with CT-DNA. The molecular docking was done to identify the interaction of L with A-DNA and B-DNA. Copyright © 2015 Elsevier B.V. All rights reserved.

Hydroxamic acids as weak base indicators: protonation in strong acid media.

PubMed

García, B; Ibeas, S; Hoyuelos, F J; Leal, J M; Secco, F; Venturini, M

2001-11-30

The protonation equilibria of N-phenylbenzohydroxamic, benzohydroxamic, salicylhydroxamic, and N-p-tolylcinnamohydroxamic acids have been studied at 25 degrees C in concentrated sulfuric, hydrochloric, and perchloric acid media; the UV-vis spectral measurements were analyzed using the Hammett equation and the Bunnett-Olsen and excess acidity methods. The medium effects observed in the UV spectral curves were corrected with the Cox-Yates and vector analysis methods. The H(A) acidity function based on benzamides provided the best results. The range of variation of the solvation coefficient m is similar to that of amides, this indicating similar solvation requirements for amides and hydroxamic acids. For the same substrate, the observed variations of pK(BH)(+) with the mineral acid used was justified by formation of solvent-separated ion pairs; for the same mineral acid, the observed changes in pK(BH)(+) can be explained by the solvation of BH(+). The change of the pK(BH)(+) values was in reasonably good agreement with the sequence of the catalytic efficiency of the mineral acids used, HCl > H(2)SO(4) > HClO(4).

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.

Variation in the Humification Degree of Dissolved Organic Matter from Cattle Manure during Composting as Analyzed by Ultraviolet-Visible and Fluorescence Spectroscopy.

PubMed

Chen, Yukun; Jiang, Zhao; Zhang, Xiuyuan; Cao, Bo; Yang, Fan; Wang, Ziyi; Zhang, Ying

2017-11-01

This study investigated the degree of humification of dissolved organic matter (DOM) during different periods of cattle manure composting using ultraviolet-visible (UV-vis) and fluorescence spectroscopy (emission, synchronous scan, and excitation-emission matrix) and determined which method is more suitable for analysis of the humification degree of DOM. Two composting piles were prepared by mixing manure and corn straw. One pile (Pile A [PA]) contained inoculated exogenous composite agents at a ratio of 2% (v/v), and a pile without the addition of inoculants (PNA) served as the control treatment. The results showed that ultraviolet integrated absorption intensities in the range of 226 to 400 nm and 260 to 280 nm and specific ultraviolet absorbances at 254 and 280 nm of both PA and PNA gradually increased with composting time. Based on the fluorescence regional integration analysis and parallel factor analysis, the humic-like substances became the main components of the DOM after composting. Our study demonstrated that the humification degree of DOM was enhanced during composting and that the inoculation composite agent was beneficial for the humification of DOM at the mesophilic and thermophilic phases of the composting process. Moreover, the results of correlation analysis and principal component analysis demonstrated that the fluorescence spectral parameters evaluated the humification degree of DOM during the whole cattle manure composting process better than the UV-vis spectral parameters. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

In situ analysis of proteins at high temperatures mediated by capillary-flow hydrothermal UV-vis spectrophotometer with a water-soluble chromogenic reagent.

PubMed

Kawamura, Kunio; Nagayoshi, Hiroki; Yao, Toshio

2010-05-14

In situ monitoring of quantities, interactions, and conformations of proteins is essential for the study of biochemistry under hydrothermal environments and the analysis of hyperthermophilic organisms in natural hydrothermal systems on Earth. We have investigated the potential of a capillary-flow hydrothermal UV-vis spectrophotometer (CHUS) for performing in situ measurements of proteins and determining their behavior at extremely high temperatures, in combination with a chromogenic reagents probe, which interacts with the proteins. The spectral shift obtained using a combination of water-soluble porphyrin (TPPS) and bovine serum albumin (BSA) was the best among the spectral shifts obtained using different combinations of chromogenic reagents and proteins. The association behavior of TPPS with BSA was investigated in detail using CHUS at temperatures up to 175 degrees C and the association constant (K(ass)) of TPPS with BSA was successfully determined at temperatures up to 100 degrees C. The lnK(ass) values were inversely proportional to the T(-1) values in the temperature range 50-100 degrees C. These analyses showed for the first time that the decrease of association of TPPS with BSA is due to the conformational change, fragmentation, and/or denaturing of BSA rather than the decrease of the hydrophobic association between TPPS and BSA. This study conclusively demonstrates the usability of the CHUS system with a chromogenic reagent as an in situ detection and measurement system for thermostable proteins at extremely high temperatures. Copyright 2010 Elsevier B.V. All rights reserved.

Tunable diode laser measurements of HO2NO2 absorption coefficients near 12.5 microns

NASA Technical Reports Server (NTRS)

May, R. D.; Molina, L. T.; Webster, C. R.

1988-01-01

A tunable diode laser spectrometer has been used to measure absorption coefficients of peroxynitric acid (HO2NO2) near the 803/cm Q branch. HO2NO2 concentrations in a low-pressure flowing gas mixture were determined from chemical titration procedures and UV absorption spectroscopy. The diode laser measured absorption coefficients, at a spectral resolution of better than 0.001/cm, are about 10 percent larger than previous Fourier transform infrared measurements made at a spectral resolution of 0.06/cm.

UV-Visible Absorption Spectroscopy Enhanced X-ray Crystallography at Synchrotron and X-ray Free Electron Laser Sources.

PubMed

Cohen, Aina E; Doukov, Tzanko; Soltis, Michael S

2016-01-01

This review describes the use of single crystal UV-Visible Absorption micro-Spectrophotometry (UV-Vis AS) to enhance the design and execution of X-ray crystallography experiments for structural investigations of reaction intermediates of redox active and photosensitive proteins. Considerations for UV-Vis AS measurements at the synchrotron and associated instrumentation are described. UV-Vis AS is useful to verify the intermediate state of an enzyme and to monitor the progression of reactions within crystals. Radiation induced redox changes within protein crystals may be monitored to devise effective diffraction data collection strategies. An overview of the specific effects of radiation damage on macromolecular crystals is presented along with data collection strategies that minimize these effects by combining data from multiple crystals used at the synchrotron and with the X-ray free electron laser.

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.

Formation and characterization of a reactive chromium(v)–oxo complex: mechanistic insight into hydrogen-atom transfer reactions† †Electronic supplementary information (ESI) available: Crystallographic data of 2 and 3 in CIF, ESI-TOF-MS, UV-vis, ESR, DFT calculations, 1H NMR, and GC-MS data. CCDC 1017025 and 1017026. See DOI: 10.1039/c4sc02285h Click here for additional data file.

PubMed Central

Kaida, Suzue; Ishizuka, Tomoya; Sakaguchi, Miyuki; Ogura, Takashi; Shiota, Yoshihito; Yoshizawa, Kazunari

2015-01-01

A mononuclear Cr(v)–oxo complex, [CrV(O)(6-COO–-tpa)](BF4)2 (1; 6-COO–-tpa = N,N-bis(2-pyridylmethyl)-N-(6-carboxylato-2-pyridylmethyl)amine) was prepared through the reaction of a Cr(iii) precursor complex with iodosylbenzene as an oxidant. Characterization of 1 was achieved using ESI-MS spectrometry, electron paramagnetic resonance, UV-vis, and resonance Raman spectroscopies. The reduction potential (E red) of 1 was determined to be 1.23 V vs. SCE in acetonitrile based on analysis of the electron-transfer (ET) equilibrium between 1 and a one-electron donor, [RuII(bpy)3]2+ (bpy = 2,2′-bipyridine). The reorganization energy (λ) of 1 was also determined to be 1.03 eV in ET reactions from phenol derivatives to 1 on the basis of the Marcus theory of ET. The smaller λ value in comparison with that of an Fe(iv)–oxo complex (2.37 eV) is caused by the small structural change during ET due to the dπ character of the electron-accepting LUMO of 1. When benzyl alcohol derivatives (R-BA) with different oxidation potentials were employed as substrates, corresponding aldehydes were obtained as the 2e–-oxidized products in moderate yields as determined from 1H NMR and GC-MS measurements. One-step UV-vis spectral changes were observed in the course of the oxidation reactions of BA derivatives by 1 and a kinetic isotope effect (KIE) was observed in the oxidation reactions for deuterated BA derivatives at the benzylic position as substrates. These results indicate that the rate-limiting step is a concerted proton-coupled electron transfer (PCET) from substrate to 1. In sharp contrast, in the oxidation of trimethoxy-BA (E ox = 1.22 V) by 1, trimethoxy-BA radical cation was observed by UV-vis spectroscopy. Thus, it was revealed that the mechanism of the oxidation reaction changed from one-step PCET to stepwise ET–proton transfer (ET/PT), depending on the redox potentials of R-BA. PMID:29560181

Discrimination of various paper types using diffuse reflectance ultraviolet-visible near-infrared (UV-Vis-NIR) spectroscopy: forensic application to questioned documents.

PubMed

Kumar, Raj; Kumar, Vinay; Sharma, Vishal

2015-06-01

Diffuse reflectance ultraviolet-visible-near-infrared (UV-Vis-NIR) spectroscopy is applied as a means of differentiating various types of writing, office, and photocopy papers (collected from stationery shops in India) on the basis of reflectance and absorbance spectra that otherwise seem to be almost alike in different illumination conditions. In order to minimize bias, spectra from both sides of paper were obtained. In addition, three spectra from three different locations (from one side) were recorded covering the upper, middle, and bottom portions of the paper sample, and the mean average reflectivity of both the sides was calculated. A significant difference was observed in mean average reflectivity of Side A and Side B of the paper using Student's pair >t-test. Three different approaches were used for discrimination: (1) qualitative features of the whole set of samples, (2) principal component analysis, and (3) a combination of both approaches. On the basis of the first approach, i.e., qualitative features, 96.49% discriminating power (DP) was observed, which shows highly significant results with the UV-Vis-NIR technique. In the second approach the discriminating power is further enhanced by incorporating the principal component analysis (PCA) statistical method, where this method describes each UV-Vis spectrum in a group through numerical loading values connected to the first few principal components. All components described 100% variance of the samples, but only the first three PCs are good enough to explain the variance (PC1 = 51.64%, PC2 = 47.52%, and PC3 = 0.54%) of the samples; i.e., the first three PCs described 99.70% of the data, whereas in the third approach, the four samples, C, G, K, and N, out of a total 19 samples, which were not differentiated using qualitative features (approach no. 1), were therefore subjected to PCA. The first two PCs described 99.37% of the spectral features. The discrimination was achieved by using a loading plot between PC1 and PC2. It is therefore concluded that maximum discrimination of writing, office, and photocopy paper could be achieved on the basis of the second approach. Hence, the present inexpensive analytical method can be appropriate for application to routine questioned document examination work in forensic laboratories because it provides nondestructive, quantitative, reliable, and repeatable results.

Explaining Space-Weathering Effects on UV-Vis-NIR Spectra with Light-Scattering Methods

NASA Astrophysics Data System (ADS)

Penttilä, Antti; Väisänen, Timo; Martikainen, Julia; Kohout, Tomas; Muinonen, Karri

2015-11-01

Space-weathering (SW) introduces changes to the asteroid reflectance spectra. In silicate minerals, SW is known to darken the spectra and reduce the silicate absorption band depths. In olivine, the neutral slope in Vis and NIR wavelengths is becoming positive [1]. In pyroxene, the positive slope over the 1 µm absorption band is decreasing, and the negative slope over the 2 µm band is increasing towards positive values with increasing SW [2].The SW process generates small nanophase iron (npFe0) inclusions in the surface layers of mineral grains. The inclusions are some tens of nm in size. This mechanism has been linked to the Moon and to a certain extent also to the silicate-rich S-complex asteroids.We offer two simple explanations from light-scattering theory to explain the SW effects on the spectral slope. First, the npFe0 will introduce a posititive general slope (reddening) to the spectra. The npFe0 inclusions (~10 nm) are in the Rayleigh domain with the wavelength λ in the UV-Vis-NIR range. Their absorption cross-section follows approximately the 1/λ-relation from the Rayleigh theory. Absorption is more efficient in the UV than in the NIR wavelengths, therefore the spectra are reddening.Second, the effect of npFe0 absorption is more efficient for originally brighter reflectance values. Explanation combines the effective medium theory and the exponential attenuation in the medium. When adding a small amount of highly absorbing npFe0, the effective absorption coefficient k will increase approximately the same Δk for the typical values of silicates. This change will increase more effectively the exponential attenuation if the original k was very small, and thus the reflectance high. Therefore, both positive and negative spectral slopes will approach zero with SW.We conclude that the SW will introduce a general reddening, and neutralize local slopes. This is verified using the SIRIS code [3], which combines geometric optics with small internal diffuse scatterers in the radiative transfer domain.[1] Kohout T. et al. (2014), Icarus 237(15), 75-83.[2] Kohout T. et al. (2015), Workshop on Space Weathering of Airless Bodies, Abstract.[3] Muinonen K. et al. (2009), JQSRT 110, 1628-1639.

UVMag: Space UV and visible spectropolarimetry

NASA Astrophysics Data System (ADS)

Pertenais, Martin; Neiner, Coralie; Parès, Laurent P.; Petit, Pascal; Snik, Frans; van Harten, Gerard

2014-07-01

UVMag is a project of a space mission equipped with a high-resolution spectropolarimeter working in the UV and visible range. This M-size mission will be proposed to ESA at its M4 call. The main goal of UVMag is to measure the magnetic fields, winds and environment of all types of stars to reach a better understanding of stellar formation and evolution and of the impact of stellar environment on the surrounding planets. The groundbreaking combination of UV and visible spectropolarimetric observations will allow the scientists to study the stellar surface and its environment simultaneously. The instrumental challenge for this mission is to design a high-resolution space spectropolarimeter measuring the full- Stokes vector of the observed star in a huge spectral domain from 117 nm to 870 nm. This spectral range is the main difficulty because of the dispersion of the optical elements and of birefringence issues in the FUV. As the instrument will be launched into space, the polarimetric module has to be robust and therefore use if possible only static elements. This article presents the different design possibilities for the polarimeter at this point of the project.

Novel axially carborane-cage substituted silicon phthalocyanine photosensitizer; synthesis, characterization and photophysicochemical properties

NASA Astrophysics Data System (ADS)

Atmaca, Göknur Yaşa; Dizman, Cemil; Eren, Tarık; Erdoğmuş, Ali

2015-02-01

The novel axially dicarborane substituted silicon (IV) (SiPc-DC) phthalocyanine was synthesized by treating silicon phthalocyanine dichloride SiPc(Cl)2 (SiPc) with o-Carborane monool. The compound was characterized by mass spectrometry, UV-Vis, FT-IR, 1H and 11B Nuclear Magnetic Resonance Spectroscopy (NMR). Spectral, photophysical (fluorescence quantum yield) and photochemical (singlet oxygen (ΦΔ) and photodegradation quantum yield (Φd)) properties of the complex were reported in different solutions (Dimethyl sulfoxide (DMSO), Dimethylformamide (DMF) and Toluene). The results of spectral measurements showed that both SiPc and carborane cage can have potential to be used as sensitizers in photodynamic therapy (PDT) and boron neutron capture therapy (BNCT) by their singlet oxygen efficiencies (ΦΔ = 0.41, 0.39).

Clementine High Resolution Camera Mosaicking Project. Volume 14; CL 6014; 0 deg N to 80 deg N Latitude, 270 deg E to 300 deg E Longitude; 1

NASA Technical Reports Server (NTRS)

Malin, Michael; Revine, Michael; Boyce, Joseph M. (Technical Monitor)

1998-01-01

This compact disk (CD) is part of the Malin Space Science Systems (MSSS) effort to mosaic Clementine I high resolution (HiRes) camera lunar images. These mosaics were developed through calibration and semi-automated registration against the recently released geometrically and photometrically controlled Ultraviolet/Visible (UV/Vis) Basemap Mosaic, which is available through the PDS, as CD-ROM volumes CL_3001-3015. The HiRes mosaics are compiled from non-uniformity corrected, 750 nanometer ("D") filter high resolution observations from the HiRes imaging system onboard the Clementine Spacecraft. These mosaics are spatially warped using the sinusoidal equal-area projection at a scale of 20 m/pixel. The geometric control is provided by the 100 m/pixel U.S. Geological Survey (USGS) Clementine Basemap Mosaic compiled from the 750 nm Ultraviolet/Visible Clementine imaging system. Calibration was achieved by removing the image nonuniformity largely caused by the HiRes system's light intensifier. Also provided are offset and scale factors, achieved by a fit of the HiRes data to the corresponding photometrically calibrated UV/Vis basemap that approximately transform the 8-bit HiRes data to photometric units. The mosaics on this CD were compiled from sub-polar data (latitudes 80 degrees South to 80 degrees North; -80 to +80) within the longitude range 0-30 deg E. The mosaics are divided into tiles that cover approximately 1.75 degrees of latitude and span the longitude range of the mosaicked frames. Images from a given orbit are map projected using the orbit's nominal central latitude. This CD contains ancillary data files that support the HiRes mosaic. These files include browse images with UV/Vis context stored in a Joint Photographic Experts Group (JPEG) format, index files ('imgindx.tab' and 'srcindx.tab') that tabulate the contents of the CD, and documentation files. For more information on the contents and organization of the CD volume set refer to the "FILES, DIRECTORIES AND DISK CONTENTS" section of this document. The image files are organized according to NASA's Planetary Data System (PDS) standards. An image file (tile) is organized as a PDS labeled file containing an "image object".

Clementine High Resolution Camera Mosaicking Project. Volume 17; CL 6017; 0 deg to 80 deg S Latitude, 330 deg E Longitude; 1

NASA Technical Reports Server (NTRS)

Malin, Michael; Revine, Michael; Boyce, Joseph M. (Technical Monitor)

1998-01-01

This compact disk (CD) is part of the Malin Space Science Systems (MSSS) effort to mosaic Clementine I high resolution (HiRes) camera lunar images. These mosaics were developed through calibration and semi-automated registration against the recently released geometrically and photometrically controlled Ultraviolet/Visible (UV/Vis) Basemap Mosaic, which is available through the PDS, as CD-ROM volumes CL_3001-3015. The HiRes mosaics are compiled from non-uniformity corrected, 750 nanometer ("D") filter high resolution observations from the HiRes imaging system onboard the Clementine Spacecraft. These mosaics are spatially warped using the sinusoidal equal-area projection at a scale of 20 m/pixel. The geometric control is provided by the 100 m/pixel U.S. Geological Survey (USGS) Clementine Basemap Mosaic compiled from the 750 nm Ultraviolet/Visible Clementine imaging system. Calibration was achieved by removing the image nonuniformity largely caused by the HiRes system's light intensifier. Also provided are offset and scale factors, achieved by a fit of the HiRes data to the corresponding photometrically calibrated UV/Vis basemap that approximately transform the 8-bit HiRes data to photometric units. The mosaics on this CD were compiled from sub-polar data (latitudes 80 degrees South to 80 degrees North; -80 to +80) within the longitude range 0-30 deg E. The mosaics are divided into tiles that cover approximately 1.75 degrees of latitude and span the longitude range of the mosaicked frames. Images from a given orbit are map projected using the orbit's nominal central latitude. This CD contains ancillary data files that support the HiRes mosaic. These files include browse images with UV/Vis context stored in a Joint Photographic Experts Group (JPEG) format, index files ('imgindx.tab' and 'srcindx.tab') that tabulate the contents of the CD, and documentation files. For more information on the contents and organization of the CD volume set refer to the "FILES, DIRECTORIES AND DISK CONTENTS" section of this document. The image files are organized according to NASA's Planetary Data System (PDS) standards. An image file (tile) is organized as a PDS labeled file containing an "image object".

Clementine High Resolution Camera Mosaicking Project. Volume 15; CL 6015; 0 deg S to 80 deg S Latitude, 270 deg E to 300 deg E Longitude; 1

NASA Technical Reports Server (NTRS)

Malin, Michael; Revine, Michael; Boyce, Joseph M. (Technical Monitor)

1998-01-01

This compact disk (CD) is part of the Malin Space Science Systems (MSSS) effort to mosaic Clementine I high resolution (HiRes) camera lunar images. These mosaics were developed through calibration and semi-automated registration against the recently released geometrically and photometrically controlled Ultraviolet/Visible (UV/Vis) Basemap Mosaic, which is available through the PDS, as CD-ROM volumes CL_3001-3015. The HiRes mosaics are compiled from non-uniformity corrected, 750 nanometer ("D") filter high resolution observations from the HiRes imaging system onboard the Clementine Spacecraft. These mosaics are spatially warped using the sinusoidal equal-area projection at a scale of 20 m/pixel. The geometric control is provided by the 100 m/pixel U. S. Geological Survey (USGS) Clementine Basemap Mosaic compiled from the 750 nm Ultraviolet/Visible Clementine imaging system. Calibration was achieved by removing the image nonuniformity largely caused by the HiRes system's light intensifier. Also provided are offset and scale factors, achieved by a fit of the HiRes data to the corresponding photometrically calibrated UV/Vis basemap that approximately transform the 8-bit HiRes data to photometric units. The mosaics on this CD were compiled from sub-polar data (latitudes 80 degrees South to 80 degrees North; -80 to +80) within the longitude range 0-30 deg E. The mosaics are divided into tiles that cover approximately 1.75 degrees of latitude and span the longitude range of the mosaicked frames. Images from a given orbit are map projected using the orbit's nominal central latitude. This CD contains ancillary data files that support the HiRes mosaic. These files include browse images with UV/Vis context stored in a Joint Photographic Experts Group (JPEG) format, index files ('imgindx.tab' and 'srcindx.tab') that tabulate the contents of the CD, and documentation files. For more information on the contents and organization of the CD volume set refer to the "FILES, DIRECTORIES AND DISK CONTENTS" section of this document. The image files are organized according to NASA's Planetary Data System (PDS) standards. An image file (tile) is organized as a PDS labeled file containing an "image object".

Clementine High Resolution Camera Mosaicking Project. Volume 13; CL 6013; 0 deg S to 80 deg S Latitude, 240 deg to 270 deg E Longitude; 1

NASA Technical Reports Server (NTRS)

Malin, Michael; Revine, Michael; Boyce, Joseph M. (Technical Monitor)

1998-01-01

This compact disk (CD) is part of the Malin Space Science Systems (MSSS) effort to mosaic Clementine I high resolution (HiRes) camera lunar images. These mosaics were developed through calibration and semi-automated registration against the recently released geometrically and photometrically controlled Ultraviolet/Visible (UV/Vis) Basemap Mosaic, which is available through the PDS, as CD-ROM volumes CL_3001-3015. The HiRes mosaics are compiled from non-uniformity corrected, 750 nanometer ("D") filter high resolution observations from the HiRes imaging system onboard the Clementine Spacecraft. These mosaics are spatially warped using the sinusoidal equal-area projection at a scale of 20 m/pixel. The geometric control is provided by the 100 m/pixel U.S. Geological Survey (USGS) Clementine Basemap Mosaic compiled from the 750 nm Ultraviolet/Visible Clementine imaging system. Calibration was achieved by removing the image nonuniformity largely caused by the HiRes system's light intensifier. Also provided are offset and scale factors, achieved by a fit of the HiRes data to the corresponding photometrically calibrated UV/Vis basemap that approximately transform the 8-bit HiRes data to photometric units. The mosaics on this CD were compiled from sub-polar data (latitudes 80 degrees South to 80 degrees North; -80 to +80) within the longitude range 0-30 deg E. The mosaics are divided into tiles that cover approximately 1.75 degrees of latitude and span the longitude range of the mosaicked frames. Images from a given orbit are map projected using the orbit's nominal central latitude. This CD contains ancillary data files that support the HiRes mosaic. These files include browse images with UV/Vis context stored in a Joint Photographic Experts Group (JPEG) format, index files ('imgindx.tab' and 'srcindx.tab') that tabulate the contents of the CD, and documentation files. For more information on the contents and organization of the CD volume set refer to the "FILES, DIRECTORIES AND DISK CONTENTS" section of this document. The image files are organized according to NASA's Planetary Data System (PDS) standards. An image file (tile) is organized as a PDS labeled file containing an "image object".

Clementine High Resolution Camera Mosaicking Project. Volume 18; CL 6018; 80 deg N to 80 deg S Latitude, 330 deg E to 360 deg E Longitude; 1

NASA Technical Reports Server (NTRS)

Malin, Michael; Revine, Michael; Boyce, Joseph M. (Technical Monitor)

1998-01-01

This compact disk (CD) is part of the Malin Space Science Systems (MSSS) effort to mosaic Clementine I high resolution (HiRes) camera lunar images. These mosaics were developed through calibration and semi-automated registration against the recently released geometrically and photometrically controlled Ultraviolet/Visible (UV/Vis) Basemap Mosaic, which is available through the PDS, as CD-ROM volumes CL_3001-3015. The HiRes mosaics are compiled from non-uniformity corrected, 750 nanometer ("D") filter high resolution observations from the HiRes imaging system onboard the Clementine Spacecraft. These mosaics are spatially warped using the sinusoidal equal-area projection at a scale of 20 m/pixel. The geometric control is provided by the 100 m/pixel U. S. Geological Survey (USGS) Clementine Basemap Mosaic compiled from the 750 nm Ultraviolet/Visible Clementine imaging system. Calibration was achieved by removing the image nonuniformity largely caused by the HiRes system's light intensifier. Also provided are offset and scale factors, achieved by a fit of the HiRes data to the corresponding photometrically calibrated UV/Vis basemap that approximately transform the 8-bit HiRes data to photometric units. The mosaics on this CD were compiled from sub-polar data (latitudes 80 degrees South to 80 degrees North; -80 to +80) within the longitude range 0-30 deg E. The mosaics are divided into tiles that cover approximately 1.75 degrees of latitude and span the longitude range of the mosaicked frames. Images from a given orbit are map projected using the orbit's nominal central latitude. This CD contains ancillary data files that support the HiRes mosaic. These files include browse images with UV/Vis context stored in a Joint Photographic Experts Group (JPEG) format, index files ('imgindx.tab' and 'srcindx.tab') that tabulate the contents of the CD, and documentation files. For more information on the contents and organization of the CD volume set refer to the "FILES, DIRECTORIES AND DISK CONTENTS" section of this document. The image files are organized according to NASA's Planetary Data System (PDS) standards. An image file (tile) is organized as a PDS labeled file containing an "image object".

Clementine High Resolution Camera Mosaicking Project. Volume 12; CL 6012; 0 deg N to 80 deg N Latitude, 240 deg to 270 deg E Longitude; 1

NASA Technical Reports Server (NTRS)

Malin, Michael; Revine, Michael; Boyce, Joseph M. (Technical Monitor)

1998-01-01

This compact disk (CD) is part of the Malin Space Science Systems (MSSS) effort to mosaic Clementine I high resolution (HiRes) camera lunar images. These mosaics were developed through calibration and semi-automated registration against the recently released geometrically and photometrically controlled Ultraviolet/Visible (UV/Vis) Basemap Mosaic, which is available through the PDS, as CD-ROM volumes CL_3001-3015. The HiRes mosaics are compiled from non-uniformity corrected, 750 nanometer ("D") filter high resolution observations from the HiRes imaging system onboard the Clementine Spacecraft. These mosaics are spatially warped using the sinusoidal equal-area projection at a scale of 20 m/pixel. The geometric control is provided by the 100 m/pixel U.S. Geological Survey (USGS) Clementine Basemap Mosaic compiled from the 750 nm Ultraviolet/Visible Clementine imaging system. Calibration was achieved by removing the image nonuniformity largely caused by the HiRes system's light intensifier. Also provided are offset and scale factors, achieved by a fit of the HiRes data to the corresponding photometrically calibrated UV/Vis basemap that approximately transform the 8-bit HiRes data to photometric units. The mosaics on this CD were compiled from sub-polar data (latitudes 80 degrees South to 80 degrees North; -80 to +80) within the longitude range 0-30 deg E. The mosaics are divided into tiles that cover approximately 1.75 degrees of latitude and span the longitude range of the mosaicked frames. Images from a given orbit are map projected using the orbit's nominal central latitude. This CD contains ancillary data files that support the HiRes mosaic. These files include browse images with UV/Vis context stored in a Joint Photographic Experts Group (JPEG) format, index files ('imgindx.tab' and 'srcindx.tab') that tabulate the contents of the CD, and documentation files. For more information on the contents and organization of the CD volume set refer to the "FILES, DIRECTORIES AND DISK CONTENTS" section of this document. The image files are organized according to NASA's Planetary Data System (PDS) standards. An image file (tile) is organized as a PDS labeled file containing an "image object".

Clementine High Resolution Camera Mosaicking Project. Volume 10; CL 6010; 0 deg N to 80 deg N Latitude, 210 deg E to 240 deg E Longitude; 1

NASA Technical Reports Server (NTRS)

Malin, Michael; Revine, Michael; Boyce, Joseph M. (Technical Monitor)

1998-01-01

This compact disk (CD) is part of the Malin Space Science Systems (MSSS) effort to mosaic Clementine I high resolution (HiRes) camera lunar images. These mosaics were developed through calibration and semi-automated registration against the recently released geometrically and photometrically controlled Ultraviolet/Visible (UV/Vis) Basemap Mosaic, which is available through the PDS, as CD-ROM volumes CL_3001-3015. The HiRes mosaics are compiled from non-uniformity corrected, 750 nanometer ("D") filter high resolution observations from the HiRes imaging system onboard the Clementine Spacecraft. These mosaics are spatially warped using the sinusoidal equal-area projection at a scale of 20 m/pixel. The geometric control is provided by the 100 m/pixel U.S. Geological Survey (USGS) Clementine Basemap Mosaic compiled from the 750 nm Ultraviolet/Visible Clementine imaging system. Calibration was achieved by removing the image nonuniformity largely caused by the HiRes system's light intensifier. Also provided are offset and scale factors, achieved by a fit of the HiRes data to the corresponding photometrically calibrated UV/Vis basemap that approximately transform the 8-bit HiRes data to photometric units. The mosaics on this CD were compiled from sub-polar data (latitudes 80 degrees South to 80 degrees North; -80 to +80) within the longitude range 0-30 deg E. The mosaics are divided into tiles that cover approximately 1.75 degrees of latitude and span the longitude range of the mosaicked frames. Images from a given orbit are map projected using the orbit's nominal central latitude. This CD contains ancillary data files that support the HiRes mosaic. These files include browse images with UV/Vis context stored in a Joint Photographic Experts Group (JPEG) format, index files ('imgindx.tab' and 'srcindx.tab') that tabulate the contents of the CD, and documentation files. For more information on the contents and organization of the CD volume set refer to the "FILES, DIRECTORIES AND DISK CONTENTS" section of this document. The image files are organized according to NASA's Planetary Data System (PDS) standards. An image file (tile) is organized as a PDS labeled file containing an "image object".

Clementine High Resolution Camera Mosaicking Project. Volume 16; CL 6016; 0 deg N to 80 deg N Latitude, 300 deg E to 330 deg E Longitude; 1

NASA Technical Reports Server (NTRS)

Malin, Michael; Revine, Michael; Boyce, Joseph M. (Technical Monitor)

1998-01-01

This compact disk (CD) is part of the Malin Space Science Systems (MSSS) effort to mosaic Clementine I high resolution (HiRes) camera lunar images. These mosaics were developed through calibration and semi-automated registration against the recently released geometrically and photometrically controlled Ultraviolet/Visible (UV/Vis) Basemap Mosaic, which is available through the PDS, as CD-ROM volumes CL_3001-3015. The HiRes mosaics are compiled from non-uniformity corrected, 750 nanometer ("D") filter high resolution observations from the HiRes imaging system onboard the Clementine Spacecraft. These mosaics are spatially warped using the sinusoidal equal-area projection at a scale of 20 m/pixel. The geometric control is provided by the 100 m/pixel U.S. Geological Survey (USGS) Clementine Basemap Mosaic compiled from the 750 nm Ultraviolet/Visible Clementine imaging system. Calibration was achieved by removing the image nonuniformity largely caused by the HiRes system's light intensifier. Also provided are offset and scale factors, achieved by a fit of the HiRes data to the corresponding photometrically calibrated UV/Vis basemap that approximately transform the 8-bit HiRes data to photometric units. The mosaics on this CD were compiled from sub-polar data (latitudes 80 degrees South to 80 degrees North; -80 to +80) within the longitude range 0-30 deg E. The mosaics are divided into tiles that cover approximately 1.75 degrees of latitude and span the longitude range of the mosaicked frames. Images from a given orbit are map projected using the orbit's nominal central latitude. This CD contains ancillary data files that support the HiRes mosaic. These files include browse images with UV/Vis context stored in a Joint Photographic Experts Group (JPEG) format, index files ('imgindx.tab' and 'srcindx.tab') that tabulate the contents of the CD, and documentation files. For more information on the contents and organization of the CD volume set refer to the "FILES, DIRECTORIES AND DISK CONTENTS" section of this document. The image files are organized according to NASA's Planetary Data System (PDS) standards. An image file (tile) is organized as a PDS labeled file containing an "image object".

Enhanced UV-visible response of bismuth subcarbonate nanowires for degradation of xanthate and photocatalytic reaction mechanism.

PubMed

Cui, Kuixin; He, Yuehui; Jin, Shengming

2016-04-01

(BiO)2CO3 nanowires were prepared by simple hydrothermal treatment of commercial Bi2O3 powders and characterized by X-ray diffractometry, scanning electron microscopy, transmission electron microscopy (TEM), high-resolution TEM, and X-ray photoelectron spectroscopy (XPS). The photocatalytic activity of (BiO)2CO3 nanowires was studied through degradation of sodium isopropyl xanthate. Photocatalytic experimental results indicated that the as-prepared (BiO)2CO3 nanowires show high photocatalytic efficiency. Photocatalytic activity increased after two cycles. Time-dependent UV-vis spectra demonstrated that the final degradation products included isopropyl alcohol and carbon disulfide. UV-vis diffuse reflection spectra showed that the band gap of the as-prepared (BiO)2CO3 nanowires and recycled (BiO)2CO3 nanowires were 2.75 eV and 1.15 eV, respectively. XPS results indicated that formation of Bi2S3@(BiO)2CO3 core-shell nanowires occurred after recycled photodegradation of isopropyl xanthate owing to existence of two types of Bi configurations in the recycled (BiO)2CO3 nanowires. A probable degradation mechanism of isopropyl xanthate was also proposed. Copyright © 2016 Elsevier Ltd. All rights reserved.

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.

Hyper-spectral imaging: A promising tool for quantitative pigment analysis of varved lake sediments

NASA Astrophysics Data System (ADS)

Butz, Christoph; Grosjean, Martin; Tylmann, Wojciech

2015-04-01

Varved lake sediments are good archives for past environmental and climate conditions from annual to multi-millennial scales. Among other proxies, concentrations of sedimentary photopigments have been used for temperature reconstructions. However, obtaining well calibrated annually resolved records from sediments still remains challenging. Most laboratory methods used to analyse lake sediments require physical subsampling and are destructive in the process. Hence, temporal resolution and number of data are limited by the amount of material available in the core. Furthermore, for very low sediment accumulation rates annual subsampling is often very difficult or even impossible. To address these problems we explore hyper-spectral imaging as a non-destructive method to analyse lake sediments based on their reflectance spectra in the visible and near infrared spectrum. In contrast to other scanning methods like X-ray fluorescence, VIS/NIR reflectance spectrometry distinguishes between biogeochemical substances rather than single elements. Among others Rein (2003) has shown that VIS-RS can be used to detect relative concentrations of sedimentary photopigments (e.g. chlorins, carotenoids) and clay minerals. In this study hyper-spectral imaging is used to infer ecological proxy data from reflectance spectra of varved lake sediments. Hyper-spectral imaging permits the measurement of an entire sediment core in a single run at high spatial (30x30µm/pixel) and spectral resolutions (~2.8nm) within the visual to near infrared spectrum (400-1000nm). This allows the analysis of data time series and spatial mapping of sedimentary substances (e.g. chlorophylls/bacterio-chlorophylls and diagenetic products) at sub-varve scales. The method is demonstrated on two varved lake sediments from northern Poland showing the distributions of relative concentrations of two types of sedimentary pigments (Chlorophyll-a + derivatives and Bacterio-pheophytin-a) within individual varve years. The relative concentrations from the spectral data set have then been calibrated with absolute concentrations derived by High-Performance-Liquid-Chromatography (HPLC). This results in very high-resolution data sets of absolute sedimentary pigment concentrations suitable for the analysis of seasonal pigment variations.

UV-visible spectroscopy as an alternative to liquid chromatography for determination of everolimus in surfactant-containing dissolution media: a useful approach based on solid-phase extraction.

PubMed

Kamberi, Marika; Tran, Thu-Ngoc

2012-11-01

High-throughput 96-well solid phase extraction (SPE) plate with C-18 reversed phase sorbent followed by UV-visible (UV-Vis) microplate reader was applied to the analysis of hydrophobic drugs in surfactant-containing dissolution media, which are often used to evaluate the in-vitro drug release of drug eluting stents (DES). Everolimus and dissolution medium containing Triton X-405 were selected as representatives, and the appropriate SPE conditions (adsorption, washing and elution) were investigated to obtain a practical and reliable sample clean-up. It was shown that the developed SPE procedure was capable of removing interfering components (Triton X-405 and its impurities), allowing for an accurate automated spectrophotometric analysis to be performed. The proposed UV-Vis spectrophotometric method yielded equivalent results compared to a classical LC analysis method. Linear regression analysis indicated that both methods have the ability to obtain test results that are directly proportional to the concentration of analyte in the sample within the selected range of 1.0-10 μg/ml for everolimus, with a coefficient of correlation (r(2)) value of >0.998 and standard deviation of the residuals (Syx) of <2%. The individual recoveries of everolimus ranged from 97 to 104% for the UV-Vis spectrophotometric method and from 98 to 102 for the HPLC method, respectively. The 95% CI of the mean recovery for the UV-Vis spectrophotometric method was 99-102% and for the HPLC method was 99-101%. No statistical difference was found between the mean recoveries of the methods (p=0.42). Hence the methods are free from interference due to Triton and other chemicals present in the dissolution medium. The variation in the amount of everolimus estimated by UV-Vis spectrophotometric and HPLC methods was ≤3.5%, and the drug release profiles obtained by both methods were found to be equivalent by evaluation with two-one-sided t-test (two-tailed, p=0.62; mean of differences, 0.17; 95% CI, 0.62-0.96) and similarity factor f2 (f2 value, 87). The excellent conformity of the results makes UV-Vis spectrophotometer an ideal tool for analyzing the drugs in the media containing surfactants, after SPE. The 96-well SPE plates in combination with UV-Vis microplate reader provide a high throughput method for the determination of in-vitro drug release profile of DES. Switching from HPLC to UV-Vis spectrophotometer microplate reader assay reduces the solvent consumption and labor required for the sample analyses. This directly impacts the profitability of the laboratory. Copyright © 2012 Elsevier B.V. All rights reserved.

UV-Vis spectroscopy of tyrosine side-groups in studies of protein structure. Part 2: selected applications.

PubMed

Antosiewicz, Jan M; Shugar, David

In Part 2 we discuss application of several different types of UV-Vis spectroscopy, such as normal, difference, and second-derivative UV absorption spectroscopy, fluorescence spectroscopy, linear and circular dichroism spectroscopy, and Raman spectroscopy, of the side-chain of tyrosine residues in different molecular environments. We review the ways these spectroscopies can be used to probe complex protein structures.

UV-Vis spectroscopy of tyrosine side-groups in studies of protein structure. Part 2: selected applications.

PubMed

Antosiewicz, Jan M; Shugar, David

2016-06-01

In Part 2 we discuss application of several different types of UV-Vis spectroscopy, such as normal, difference, and second-derivative UV absorption spectroscopy, fluorescence spectroscopy, linear and circular dichroism spectroscopy, and Raman spectroscopy, of the side-chain of tyrosine residues in different molecular environments. We review the ways these spectroscopies can be used to probe complex protein structures.

Ultraviolet Imaging Telescope observations of the Crab Nebula

NASA Technical Reports Server (NTRS)

Hennessy, Gregory S.; O'Connell, Robert W.; Cheng, Kwang P.; Bohlin, Ralph C.; Collins, Nicholas R.; Gull, Theodore P.; Hintzen, Paul; Isensee, Joan E.; Landsman, Wayne B.; Roberts, Morton S.

1992-01-01

We obtained ultraviolet images of the Crab Nebula with the Ultraviolet Imaging Telescope during the Astro-1 Space Shuttle mission in 1990 December. The UV continuum morphology of the Crab is generally similar to that in the optical region, but the wispy structures are less conspicuous in the UV and X-ray. UV line emission from the thermal filaments is not strong. UV spectral index maps with a resolution of 10 arcsecs show a significant gradient across the nebula, with the outer parts being redder, as expected from synchrotron losses. The location of the bluest synchrotron continuum does not coincide with the pulsar.

Energy Levels, wavelengths and hyperfine structure measurements of Sc II

NASA Astrophysics Data System (ADS)

Hala, Fnu; Nave, Gillian

2018-01-01

Lines of singly ionized Scandium (Sc II) along with other Iron group elements have been observed [1] in the region surrounding the massive star Eta Carinae [2,3] called the strontium filament (SrF). The last extensive analysis of Sc II was the four-decade old work of Johansson & Litzen [4], using low-resolution grating spectroscopy. To update and extend the Sc II spectra, we have made observation of Sc/Ar, Sc/Ne and Sc/Ge/Ar hollow cathode emission spectrum on the NIST high resolution FT700 UV/Vis and 2 m UV/Vis/IR Fourier transform spectrometers (FTS). More than 850 Sc II lines have been measured in the wavelength range of 187 nm to 3.2 μm. connecting a total of 152 energy levels. The present work also focuses to resolve hyperfine structure (HFS) in Sc II lines. We aim to obtain accurate transition wavelengths, improved energy levels and HFS constants of Sc II. The latest results from work in progress will be presented.Reference[1] Hartman H, Gull T, Johansson S and Smith N 2004 Astron. Astrophys. 419 215[2] Smith N, Morse J A and Gull T R 2004 Astrophys. J. 605 405[3] Davidson K and Humphreys R M 1997 Annu. Rev. Astron. Astrophys. 35[4] Johansson S and Litzén U 1980 Phys. Scr. 22 49

Low Dark-Current, High Current-Gain of PVK/ZnO Nanoparticles Composite-Based UV Photodetector by PN-Heterojunction Control.

PubMed

Lee, Sang-Won; Cha, Seung-Hwan; Choi, Kyung-Jae; Kang, Byoung-Ho; Lee, Jae-Sung; Kim, Sae-Wan; Kim, Ju-Seong; Jeong, Hyun-Min; Gopalan, Sai-Anand; Kwon, Dae-Hyuk; Kang, Shin-Won

2016-01-07

We propose a solution-processable ultraviolet (UV) photodetector with a pn-heterojunction hybrid photoactive layer (HPL) that is composed of poly-n-vinylcarbazole (PVK) as a p-type polymer and ZnO nanoparticles (NPs) as an n-type metal oxide. To observe the effective photo-inducing ability of the UV photodetector, we analyzed the optical and electrical properties of HPL which is controlled by the doping concentration of n-type ZnO NPs in PVK matrix. Additionally, we confirmed that the optical properties of HPL dominantly depend on the ZnO NPs from the UV-vis absorption and the photoluminescence (PL) spectral measurements. This HPL can induce efficient charge transfer in the localized narrow pn-heterojunction domain and increases the photocurrent gain. It is essential that proper doping concentration of n-type ZnO NPs in polymer matrix is obtained to improve the performance of the UV photodetector. When the ZnO NPs are doped with the optimized concentration of 3.4 wt.%, the electrical properties of the photocurrent are significantly increased. The ratio of the photocurrent was approximately 10³ higher than that of the dark current.

Low Dark-Current, High Current-Gain of PVK/ZnO Nanoparticles Composite-Based UV Photodetector by PN-Heterojunction Control

PubMed Central

Lee, Sang-Won; Cha, Seung-Hwan; Choi, Kyung-Jae; Kang, Byoung-Ho; Lee, Jae-Sung; Kim, Sae-Wan; Kim, Ju-Seong; Jeong, Hyun-Min; Gopalan, Sai-Anand; Kwon, Dae-Hyuk; Kang, Shin-Won

2016-01-01

We propose a solution-processable ultraviolet (UV) photodetector with a pn-heterojunction hybrid photoactive layer (HPL) that is composed of poly-n-vinylcarbazole (PVK) as a p-type polymer and ZnO nanoparticles (NPs) as an n-type metal oxide. To observe the effective photo-inducing ability of the UV photodetector, we analyzed the optical and electrical properties of HPL which is controlled by the doping concentration of n-type ZnO NPs in PVK matrix. Additionally, we confirmed that the optical properties of HPL dominantly depend on the ZnO NPs from the UV-vis absorption and the photoluminescence (PL) spectral measurements. This HPL can induce efficient charge transfer in the localized narrow pn-heterojunction domain and increases the photocurrent gain. It is essential that proper doping concentration of n-type ZnO NPs in polymer matrix is obtained to improve the performance of the UV photodetector. When the ZnO NPs are doped with the optimized concentration of 3.4 wt.%, the electrical properties of the photocurrent are significantly increased. The ratio of the photocurrent was approximately 103 higher than that of the dark current. PMID:26751453

Instrumental Analysis in the High School Classroom: UV-Vis Spectroscopy

ERIC Educational Resources Information Center

Erhardt, Walt

2007-01-01

Note is presented on the standard lab from a second year chemistry course. The lab "Determining which of the Seven FD&C Food-Approved Dyes are Used in Making Green Skittles", familiarizes students with the operation of the CHEM2000 UV-Vis spectrophorometer.

The Determination of Caffeine in Coffee: Sense or Nonsense?

ERIC Educational Resources Information Center

Beckers, Jozef L.

2004-01-01

The presence of caffeine in coffee is determined by the use of separation devices and UV-vis spectrophotometry. The results indicate that the use of various analytical tools helps to perceive the higher concentration values obtained through UV-vis spectrophotometry than with separation methods.

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.

[Application of asymmetrical flow field-flow fractionation for size characterization of low density lipoprotein in egg yolk plasma].

PubMed

Zhang, Wenhui; Cai, Chunxue; Wang, Jing; Mao, Zhen; Li, Yueqiu; Ding, Liang; Shen, Shigang; Dou, Haiyang

2017-08-08

Home-made asymmetrical flow field-flow fractionation (AF4) system, online coupled with ultraviolet/visible (UV/Vis) detector was employed for the separation and size characterization of low density lipoprotein (LDL) in egg yolk plasma. At close to natural condition of egg yolk, the effects of cross flow rate, sample loading, and type of membrane on the size distribution of LDL were investigated. Under the optimal operation conditions, AF4-UV/Vis provides the size distribution of LDL. Moreover, the precision of AF4-UV/Vis method proposed in this work for the analysis of LDL in egg yolk plasma was evaluated. The intra-day precisions were 1.3% and 1.9% ( n =7) and the inter-day precisions were 2.4% and 2.3% ( n =7) for the elution peak height and elution peak area of LDL, respectively. Results reveal that AF4-UV/Vis is a useful tool for the separation and size characterization of LDL in egg yolk plasma.

Interfacial effect on the structural and optical properties of pure SnO2 and dual shells (ZnO; SiO2) coated SnO2 core-shell nanospheres for optoelectronic applications

NASA Astrophysics Data System (ADS)

Selvi, N.; Sankar, S.; Dinakaran, K.

2014-12-01

Nanocrystallites of SnO2 core and dual shells (ZnO, SiO2) coated SnO2 core-shell nanospheres were successfully synthesized by co-precipitation method. The as prepared and annealed samples were characterized by X-ray diffraction (XRD), Fourier Transform Infrared spectroscopy (FTIR), High resolution transmission electron microscopy (HRTEM) and UV-Vis analysis. XRD pattern confirms the obtained SnO2 core with tetragonal rutile crystalline structure and the shell ZnO with hexagonal structure. FTIR result shows the functional groups present in the samples. The spherical morphology and the formation of the core-shell structures have been confirmed by HRTEM measurements. The UV-Vis showed that band gap is red shifted for as-prepared and the shells coated core-shell samples. From this investigation it can be concluded that the surface modification with different metal and insulating oxides strongly influences the optical properties of the core-shell materials which enhance their potential applications towards optical devices fabrication.

Vibrational spectroscopic study, structural analysis, photophysical properties and theoretical calculations of cis-(±)-2,4,5-tris(pyridin-2-yl)imidazoline

NASA Astrophysics Data System (ADS)

Baldenebro-López, Jesús; Báez-Castro, Alberto; Glossman-Mitnik, Daniel; Höpfl, Herbert; Cruz-Enríquez, Adriana; Miranda-Soto, Valentín; Parra-Hake, Miguel; Campos-Gaxiola, José J.

2017-02-01

cis-(±)-2,4,5-tris(pyridin-2-yl)imidazoline has been fully characterized by FT-IR, FT-Raman, UV-Vis and fluorescence spectroscopy, one- and two-dimensional NMR spectroscopy (1H, 1H-1H gCOSY, 1H-1H gNOESY,13C{1H} ATP, 1H-13C and 1H-15N gHSQC and 1H-13C gHMBC), high-resolution mass spectrometry (HR-FAB+), TG-DSC analysis and low-temperature single-crystal X-ray diffraction analysis. Additionally, the molecular geometry and the vibrational infrared and Raman frequencies were calculated by density functional theory using the M06/6-31G(d) level of theory, showing good agreement with the experimental results. The title compound showed interesting photophysical properties, which were studied experimentally in solution and in the solid state by UV-Vis and fluorescence spectroscopy and compared to the theoretically obtained parameters using TD-DFT calculations. Natural and Mulliken atomic charges and the molecular electrostatic potential (MEP) have been mapped.

Nucleation and growth of thin films of the organic conductor TTF-iodide over glassy carbon. Electrochemical and spectroelectrochemical study.

PubMed

Gómez, L; Rodríguez-Amaro, R

2009-04-21

On the basis of the electrochemical and spectroelectrochemical behavior of thin films of TTF over a glassy carbon electrode in iodide media, a new, more complete mechanism for the electrode processes involved is proposed. The voltammetric and chronoamperometric results for the films can be explained in light of a recently developed nucleation-growth model involving a layer-by-layer mechanism. Also, their in situ UV-vis spectral data expand the available knowledge about the overall mechanism and the nature of the compound formed over the glassy carbon electrode.

EPR, UV-vis, magnetic, spectral studies and electrochemical behaviour of mononuclear transition metal complexes derived from novel hexa-aza-macrotricyclic ligand

NASA Astrophysics Data System (ADS)

Chandra, Sulekh; Gupta, Nidhi; Gupta, Rachna; Bawa, Sukhwant Singh

2005-11-01

Aza-macrocyclic complexes have gained importance because of their pharmacological properties [N.K. Singh, Srivastava, Trans. Met. Chem. 25 (2000) 133]. Hexa-aza-macrocyles containing glutarimide efficiently coordinate as hexa-dentate ligand, to give complexes of Cu(II) possessing tetragonal structure and Mn(II), Co(II) and Ni(II) metal ions that are essentially octahedral. Spectroscopic, and chemical characterizations of these systems are presented in this article. For Ni(II) complexes results on electron transfer processes measured by cyclic voltammetry and colourimetry have been studied.

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.

Synthesis of 2-Azulenyltetrathiafulvalenes by Palladium-Catalyzed Direct Arylation of 2-Chloroazulenes with Tetrathiafulvalene and Their Optical and Electrochemical Properties.

PubMed

Shoji, Taku; Araki, Takanori; Sugiyama, Shuhei; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Okujima, Tetsuo; Toyota, Kozo

2017-02-03

Tetrathiafulvalene (TTF) derivatives with 2-azulenyl substituents 5-11 were prepared by the palladium-catalyzed direct arylation reaction of 2-chloroazulenes with TTF in good yield. Photophysical properties of these compounds were investigated by UV-vis spectroscopy and theoretical calculations. Redox behavior of the novel azulene-substituted TTFs was examined by using cyclic voltammetry and differential pulse voltammetry, which revealed their multistep electrochemical oxidation and/or reduction properties. Moreover, these TTF derivatives showed significant spectral change in the visible region under the redox conditions.

Quantum Chemical Simulation of the Interaction of Functional Groups in Polyurethanes with 3 d-Metal Ions During Their Extraction from Aqueous Solutions

NASA Astrophysics Data System (ADS)

Ksenofontov, M. A.; Bobkova, E. Yu.; Shundalau, M. B.; Ostrovskaya, L. E.; Vasil'eva, V. S.

2017-11-01

The interaction of the functional groups in the polyurethane foam adsorbent Penopurm® with the cations of some 3d-metals upon their extraction from aqueous solutions has been studied by atomic emission spectroscopy, UV/Vis and vibrational IR spectroscopy, and quantum chemical simulation using density functional theory. Penopurm® absorbs 3d-metal cations from aqueous solutions in the pH range 5-7. Some spectral criteria have been found indicating a predominant interaction of Ni2+ ions with various fragments of the polyurethane foam structure.

Optical properties of ZnO/BaCO3 nanocomposites in UV and visible regions.

PubMed

Zak, Ali Khorsand; Hashim, Abdul Manaf; Darroudi, Majid

2014-01-01

Pure zinc oxide and zinc oxide/barium carbonate nanoparticles (ZnO-NPs and ZB-NPs) were synthesized by the sol-gel method. The prepared powders were characterized by X-ray diffraction (XRD), ultraviolet-visible (UV-Vis), Auger spectroscopy, and transmission electron microscopy (TEM). The XRD result showed that the ZnO and BaCO3 nanocrystals grow independently. The Auger spectroscopy proved the existence of carbon in the composites besides the Zn, Ba, and O elements. The UV-Vis spectroscopy results showed that the absorption edge of ZnO nanoparticles is redshifted by adding barium carbonate. In addition, the optical parameters including the refractive index and permittivity of the prepared samples were calculated using the UV-Vis spectra. 81.05.Dz; 78.40.Tv; 42.70.-a.

EPIC Radiance Simulator for Deep Space Climate ObserVatoRy (DSCOVR)

NASA Technical Reports Server (NTRS)

Lyapustin, Alexei; Marshak, Alexander; Wang, Yujie; Korkin, Sergey; Herman, Jay

2011-01-01

The Deep Space Climate ObserVatoRy (DSCOVR) is a planned space weather mission for the Sun and Earth observations from the Lagrangian L1 point. Onboard of DSCOVR is a multispectral imager EPIC designed for unique observations of the full illuminated disk of the Earth with high temporal and 10 km spatial resolution. Depending on latitude, EPIC will observe the same Earth surface area during the course of the day in a wide range of solar and view zenith angles in the backscattering view geometry with the scattering angle of 164-172 . To understand the information content of EPIC data for analysis of the Earth clouds, aerosols and surface properties, an EPIC radiance Simulator was developed covering the UV -VIS-NIR range including the oxygen A and B-bands (A=340, 388, 443, 555, 680, 779.5, 687.7, 763.3 nm). The Simulator uses ancillary data (surface pressure/height, NCEP wind speed) as well as MODIS-based geophysical fields such as spectral surface bidirectional reflectance, column water vapor, and properties of aerosols and clouds including optical depth, effective radius, phase and cloud top height. The original simulations are conducted at 1 km resolution using the look-up table approach and then are averaged to 10 km EPIC radiances. This talk will give an overview of the EPIC Simulator with analysis of results over the continental USA and northern Atlantic.

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

UV-Vis spectroscopy of tyrosine side-groups in studies of protein structure. Part 1: basic principles and properties of tyrosine chromophore.

PubMed

Antosiewicz, Jan M; Shugar, David

Spectroscopic properties of tyrosine residues may be employed in structural studies of proteins. Here we discuss several different types of UV-Vis spectroscopy, like normal, difference and second-derivative UV absorption spectroscopy, fluorescence spectroscopy, linear and circular dichroism spectroscopy, and Raman spectroscopy, and corresponding optical properties of the tyrosine chromophore, phenol, which are used to study protein structure.

UV-Vis spectroscopy of tyrosine side-groups in studies of protein structure. Part 1: basic principles and properties of tyrosine chromophore.

PubMed

Antosiewicz, Jan M; Shugar, David

2016-06-01

Spectroscopic properties of tyrosine residues may be employed in structural studies of proteins. Here we discuss several different types of UV-Vis spectroscopy, like normal, difference and second-derivative UV absorption spectroscopy, fluorescence spectroscopy, linear and circular dichroism spectroscopy, and Raman spectroscopy, and corresponding optical properties of the tyrosine chromophore, phenol, which are used to study protein structure.

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.

Study of nucleic acid-gold nanorod interactions and detecting nucleic acid hybridization using gold nanorod solutions in the presence of sodium citrate.

PubMed

Kanjanawarut, Roejarek; Su, Xiaodi

2010-09-01

In this study, the authors report that sodium citrate can aggregate hexadecyl-trimethyl-ammonium ion(+)-coated gold nanorods (AuNRs), and nucleic acids of different charge and structure properties, i.e., single-stranded DNA (ssDNA), double-stranded DNA (dsDNA), single-stranded peptide nucleic acid (PNA), and PNA-DNA complex, can bind to the AuNRs and therefore retard the sodium citrate-induced aggregation to different extents. The discovery that hybridized dsDNA (and the PNA-DNA complex) has a more pronounced protection effect than ssDNA (and PNA) allows the authors to develop a homogeneous phase AuNRs-based UV-visible (UV-vis) spectral assay for detecting specific sequences of oligonucleotides (20 mer) with a single-base-mismatch selectivity and a limit of detection of 5 nM. This assay involves no tedious bioconjugation and on-particle hybridization. The simple "set and test" format allows for a highly efficient hybridization in a homogeneous phase and a rapid display of the results in less than a minute. By measuring the degree of reduction in AuNR aggregation in the presence of different nucleic acid samples, one can assess how different nucleic acids interact with the AuNRs to complement the knowledge of spherical gold nanoparticles. Besides UV-vis characterization, transmission electron microscopy and zeta potential measurements were conduced to provide visual evidence of the particle aggregation and to support the discussion of the assay principle.

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.

Quantification of taurine in energy drinks using ¹H NMR.

PubMed

Hohmann, Monika; Felbinger, Christine; Christoph, Norbert; Wachter, Helmut; Wiest, Johannes; Holzgrabe, Ulrike

2014-05-01

The consumption of so called energy drinks is increasing, especially among adolescents. These beverages commonly contain considerable amounts of the amino sulfonic acid taurine, which is related to a magnitude of various physiological effects. The customary method to control the legal limit of taurine in energy drinks is LC-UV/vis with postcolumn derivatization using ninhydrin. In this paper we describe the quantification of taurine in energy drinks by (1)H NMR as an alternative to existing methods of quantification. Variation of pH values revealed the separation of a distinct taurine signal in (1)H NMR spectra, which was applied for integration and quantification. Quantification was performed using external calibration (R(2)>0.9999; linearity verified by Mandel's fitting test with a 95% confidence level) and PULCON. Taurine concentrations in 20 different energy drinks were analyzed by both using (1)H NMR and LC-UV/vis. The deviation between (1)H NMR and LC-UV/vis results was always below the expanded measurement uncertainty of 12.2% for the LC-UV/vis method (95% confidence level) and at worst 10.4%. Due to the high accordance to LC-UV/vis data and adequate recovery rates (ranging between 97.1% and 108.2%), (1)H NMR measurement presents a suitable method to quantify taurine in energy drinks. Copyright © 2013 Elsevier B.V. All rights reserved.

Sequential capillary electrophoresis analysis using optically gated sample injection and UV/vis detection.

PubMed

Liu, Xiaoxia; Tian, Miaomiao; Camara, Mohamed Amara; Guo, Liping; Yang, Li

2015-10-01

We present sequential CE analysis of amino acids and L-asparaginase-catalyzed enzyme reaction, by combing the on-line derivatization, optically gated (OG) injection and commercial-available UV-Vis detection. Various experimental conditions for sequential OG-UV/vis CE analysis were investigated and optimized by analyzing a standard mixture of amino acids. High reproducibility of the sequential CE analysis was demonstrated with RSD values (n = 20) of 2.23, 2.57, and 0.70% for peak heights, peak areas, and migration times, respectively, and the LOD of 5.0 μM (for asparagine) and 2.0 μM (for aspartic acid) were obtained. With the application of the OG-UV/vis CE analysis, sequential online CE enzyme assay of L-asparaginase-catalyzed enzyme reaction was carried out by automatically and continuously monitoring the substrate consumption and the product formation every 12 s from the beginning to the end of the reaction. The Michaelis constants for the reaction were obtained and were found to be in good agreement with the results of traditional off-line enzyme assays. The study demonstrated the feasibility and reliability of integrating the OG injection with UV/vis detection for sequential online CE analysis, which could be of potential value for online monitoring various chemical reaction and bioprocesses. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

Enhanced selective photocatalytic reduction of CO2 to CH4 over plasmonic Au modified g-C3N4 photocatalyst under UV-vis light irradiation

NASA Astrophysics Data System (ADS)

Li, Hailong; Gao, Yan; Xiong, Zhuo; Liao, Chen; Shih, Kaimin

2018-05-01

A series of Au-g-C3N4 (Au-CN) catalysts were prepared through a NaBH4-reduction method using g-C3N4 (CN) from pyrolysis of urea as precursor. The catalysts' surface area, crystal structure, surface morphology, chemical state, functional group composition and optical properties were characterized by X-ray diffraction, transmission electron microscope, X-ray photoelectron spectroscopy, ultraviolet visible (UV-vis) diffuse reflectance spectra, fourier transform infrared, photoluminescence and transient photocurrent analysis. The carbon dioxide (CO2) photoreduction activities under ultraviolet visible (UV-vis) light irradiation were significantly enhanced when gold (Au) was loaded on the surface of CN. 2Au-CN catalyst with Au to CN mole ratio of 2% showed the best catalytic activity. After 2 h UV-vis light irradiation, the methane (CH4) yield over the 2Au-CN catalyst was 9.1 times higher than that over the pure CN. The CH4 selectivity also greatly improved for the 2Au-CN compared to the CN. The deposited Au nanoparticles facilitated the separation of electron-hole pairs on the CN surface. Moreover, the surface plasmon resonance effect of Au further promoted the generation of hot electrons and visible light absorption. Therefore, Au loading significantly improved CO2 photoreduction performance of CN under UV-vis light irradiation.

Photo-oxidation of cork manufacturing wastewater.

PubMed

Silva, Carla A; Madeira, Luis M; Boaventura, Rui A; Costa, Carlos A

2004-04-01

Several photo-activated processes have been investigated for oxidation of a cork manufacturing wastewater. A comparative activity study is made between different homogeneous (H2O2/UV-Vis and H2O2/Fe2+/UV-Vis) and heterogeneous (TiO2/UV-Vis and TiO2/H2O2/UV-Vis) systems, with degradation performances being evaluated in terms of total organic carbon (TOC) removal. Results obtained in a batch photo-reactor show that photo-catalysis with TiO2 is not suitable for this kind of wastewater while the H2O2/UV-Vis oxidation process, for which the effect of some operating conditions was investigated, allows to remove 39% of TOC after 4 h of operation (for C(H2O2)=0.59 M, pH=10 and T=35 degrees C). The combined photo-activated process, i.e., using both TiO2 and H2O2, yields an overall TOC decrease of 46% (for C(TiO2)=1.0 gl(-1)). The photo-Fenton process proved to be the most efficient, proceeds at a much higher oxidation rate and allows to achieve 66% mineralization in just 10 min of reaction time (for C(H2O2)=0.31 M, T=30 degrees C, Fe2+:H2O2=0.12 (mol) and pH=3.2).

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.

Structural, energetic, and UV-Vis spectral analysis of UVA filter 4-tert-butyl-4'-methoxydibenzoylmethane.

PubMed

Pinto da Silva, Luís; Ferreira, Paulo J O; Duarte, Darío J R; Miranda, Margarida S; Esteves da Silva, Joaquim C G

2014-02-27

The growing awareness of the harmful effects of ultraviolet (UV) solar radiation has increased the production and consumption of sunscreen products, which contain organic and inorganic molecules named UV filters that absorb, reflect, or scatter UV radiation, thus minimizing negative human health effects. 4-tert-Butyl-4'-methoxydibenzoylmethane (BMDBM) is one of the few organic UVA filters and the most commonly used. BMDBM exists in sunscreens in the enol form which absorbs strongly in the UVA range. However, under sunlight irradiation tautomerization occurs to the keto form, resulting in the loss of UV protection. In this study we have performed quantum chemical calculations to study the excited-state molecular structure and excitation spectra of the enol and keto tautomers of BMDBM. This knowledge is of the utmost importance as the starting point for studies aiming at the understanding of its activity when applied on human skin and also its fate once released into the aquatic environment. The efficiency of excitation transitions was rationalized based on the concept of molecular orbital superposition. The loss of UV protection was attributed to the enol → keto phototautomerism and subsequent photodegradation. Although this process is not energetically favorable in the singlet bright state, photodegradation is possible because of intersystem crossing to the first two triplet states.

Instrumentation: Photodiode Array Detectors in UV-VIS Spectroscopy. Part II.

ERIC Educational Resources Information Center

Jones, Dianna G.

1985-01-01

A previous part (Analytical Chemistry; v57 n9 p1057A) discussed the theoretical aspects of diode ultraviolet-visual (UV-VIS) spectroscopy. This part describes the applications of diode arrays in analytical chemistry, also considering spectroelectrochemistry, high performance liquid chromatography (HPLC), HPLC data processing, stopped flow, and…

Reaction pathways of proton transfer in hydrogen-bonded phenol-carboxylate complexes explored by combined UV-vis and NMR spectroscopy.

PubMed

Koeppe, Benjamin; Tolstoy, Peter M; Limbach, Hans-Heinrich

2011-05-25

Combined low-temperature NMR/UV-vis spectroscopy (UVNMR), where optical and NMR spectra are measured in the NMR spectrometer under the same conditions, has been set up and applied to the study of H-bonded anions A··H··X(-) (AH = 1-(13)C-2-chloro-4-nitrophenol, X(-) = 15 carboxylic acid anions, 5 phenolates, Cl(-), Br(-), I(-), and BF(4)(-)). In this series, H is shifted from A to X, modeling the proton-transfer pathway. The (1)H and (13)C chemical shifts and the H/D isotope effects on the latter provide information about averaged H-bond geometries. At the same time, red shifts of the π-π* UV-vis absorption bands are observed which correlate with the averaged H-bond geometries. However, on the UV-vis time scale, different tautomeric states and solvent configurations are in slow exchange. The combined data sets indicate that the proton transfer starts with a H-bond compression and a displacement of the proton toward the H-bond center, involving single-well configurations A-H···X(-). In the strong H-bond regime, coexisting tautomers A··H···X(-) and A(-)···H··X are observed by UV. Their geometries and statistical weights change continuously when the basicity of X(-) is increased. Finally, again a series of single-well structures of the type A(-)···H-X is observed. Interestingly, the UV-vis absorption bands are broadened inhomogeneously because of a distribution of H-bond geometries arising from different solvent configurations.

Retrieval of Aerosol Absorption Properties from Satellite Observations

NASA Technical Reports Server (NTRS)

Torres, Omar; Bhartia, Pawan K.; Jethva, H.; Ahn, Chang-Woo

2012-01-01

The Angstrom Absorption Exponent (AAE) is a parameter commonly used to characterize the wavelength-dependence of aerosol absorption optical depth (AAOD). It is closely related to aerosol composition. Black carbon (BC) containing aerosols yield AAE values near unity whereas Organic carbon (OC) aerosol particles are associated with values larger than 2. Even larger AAE values have been reported for desert dust aerosol particles. Knowledge of spectral AAOD is necessary for the calculation of direct radiative forcing effect of aerosols and for inferring aerosol composition. We have developed a satellitebased method of determining the spectral AAOD of absorbing aerosols. The technique uses multi-spectral measurements of upwelling radiation from scenes where absorbing aerosols lie above clouds as indicated by the UV Aerosol Index. For those conditions, the satellite measurement can be explained, using an approximations of Beer's Law (BL), as the upwelling reflectance at the cloud top attenuated by the absorption effects of the overlying aerosol layer. The upwelling reflectance at the cloud-top in an aerosol-free atmospheric column is mainly a function of cloud optical depth (COD). In the proposed method of AAE derivation, the first step is determining COD which is retrieved using a previously developed color-ratio based approach. In the second step, corrections for molecular scattering effects are applied to both the observed ad the calculated cloud reflectance terms, and the spectral AAOD is then derived by an inversion of the BL approximation. The proposed technique will be discussed in detail and application results making use of OMI multi-spectral measurements in the UV-Vis. will be presented.

Measurements of OH(X2pi) in the stratosphere by high resolution UV spectroscopy

NASA Technical Reports Server (NTRS)

Torr, D. G.; Swift, W.; Fennelly, J.; Liu, G.; Torr, M. R.

1987-01-01

This paper reports the first results obtained using high spectral resolution imaging ultraviolet spectroscopy to observe multiple rotational lines of OH A2 Sigma-X2pi (0-0) band. A 9.2 A spectral segment from 3075.8 A to 3085.0 A is imaged at 0.08 A FWHM spectral resolution, allowing the simultaneous acquisition of six of the brightest OH resonance fluorescence emission lines. The high spectral resolution and low scattered light design of the instrument allows these lines to be detected above the Rayleigh scattered sunlight background. The technique permits remote sensing of stratospheric OH from a high altitude instrument. The instrument was flown to an altitude of 40 km on Aug. 25, 1983, and again on June 12, 1986, on scientific balloons from Palestine, TX. The OH profiles inverted from the limb scans made during these flights are reported here. These profiles represent the first measurements of the temporal variation of OH over an extended height range. The results demonstrate that the technique can be used to monitor OH from orbit.

Submersible UV-Vis Spectroscopy for Quantifying Streamwater Organic Carbon Dynamics: Implementation and Challenges before and after Forest Harvest in a Headwater Stream

PubMed Central

Jollymore, Ashlee; Johnson, Mark S.; Hawthorne, Iain

2012-01-01

Organic material, including total and dissolved organic carbon (DOC), is ubiquitous within aquatic ecosystems, playing a variety of important and diverse biogeochemical and ecological roles. Determining how land-use changes affect DOC concentrations and bioavailability within aquatic ecosystems is an important means of evaluating the effects on ecological productivity and biogeochemical cycling. This paper presents a methodology case study looking at the deployment of a submersible UV-Vis absorbance spectrophotometer (UV-Vis spectro∷lyzer model, s∷can, Vienna, Austria) to determine stream organic carbon dynamics within a headwater catchment located near Campbell River (British Columbia, Canada). Field-based absorbance measurements of DOC were made before and after forest harvest, highlighting the advantages of high temporal resolution compared to traditional grab sampling and laboratory measurements. Details of remote deployment are described. High-frequency DOC data is explored by resampling the 30 min time series with a range of resampling time intervals (from daily to weekly time steps). DOC export was calculated for three months from the post-harvest data and resampled time series, showing that sampling frequency has a profound effect on total DOC export. DOC exports derived from weekly measurements were found to underestimate export by as much as 30% compared to DOC export calculated from high-frequency data. Additionally, the importance of the ability to remotely monitor the system through a recently deployed wireless connection is emphasized by examining causes of prior data losses, and how such losses may be prevented through the ability to react when environmental or power disturbances cause system interruption and data loss. PMID:22666002

Submersible UV-Vis spectroscopy for quantifying streamwater organic carbon dynamics: implementation and challenges before and after forest harvest in a headwater stream.

PubMed

Jollymore, Ashlee; Johnson, Mark S; Hawthorne, Iain

2012-01-01

Organic material, including total and dissolved organic carbon (DOC), is ubiquitous within aquatic ecosystems, playing a variety of important and diverse biogeochemical and ecological roles. Determining how land-use changes affect DOC concentrations and bioavailability within aquatic ecosystems is an important means of evaluating the effects on ecological productivity and biogeochemical cycling. This paper presents a methodology case study looking at the deployment of a submersible UV-Vis absorbance spectrophotometer (UV-Vis spectro::lyzer model, s::can, Vienna, Austria) to determine stream organic carbon dynamics within a headwater catchment located near Campbell River (British Columbia, Canada). Field-based absorbance measurements of DOC were made before and after forest harvest, highlighting the advantages of high temporal resolution compared to traditional grab sampling and laboratory measurements. Details of remote deployment are described. High-frequency DOC data is explored by resampling the 30 min time series with a range of resampling time intervals (from daily to weekly time steps). DOC export was calculated for three months from the post-harvest data and resampled time series, showing that sampling frequency has a profound effect on total DOC export. DOC exports derived from weekly measurements were found to underestimate export by as much as 30% compared to DOC export calculated from high-frequency data. Additionally, the importance of the ability to remotely monitor the system through a recently deployed wireless connection is emphasized by examining causes of prior data losses, and how such losses may be prevented through the ability to react when environmental or power disturbances cause system interruption and data loss.

Quantum chemical modeling of new derivatives of (E,E)-azomethines: Synthesis, spectroscopic (FT-IR, UV/Vis, polarization) and thermophysical investigations

NASA Astrophysics Data System (ADS)

Shahab, Siyamak; Sheikhi, Masoome; Filippovich, Liudmila; Anatol'evich, Dikusar Evgenij; Yahyaei, Hooriye

2017-06-01

In the present work, the molecular structures of three new azomethine dyes: N-benzylidene-4-((E)-phenyldiazenyl)aniline (PAZB-1), 2-methoxy-4-(((4-((E)- phenyldiazenyl)phenyl)imino)methyl)phenol (PAZB-2) and 2-methoxy-5-((E)-((4-((E)- phenyldiazenyl)phenyl)imino)methyl)phenol (PAZB-8) have been predicted and investigated using Density Functional Theory (DFT) in dimethylformamide (DMF). The geometries of the azomethine dyes were optimized by PBE0/6-31 + G* level of theory. The electronic spectra of these azomethine dyes in a DMF solution was carried out by TDPBE0/6-31 + G* method. After quantum-chemical calculations three new azomethine dyes for optoelectronic applications were synthesized. FT-IR spectra of the title compounds are recorded and discussed. The computed absorption spectral data of the azomethine dyes are in good agreement with the experimental data, thus allowing an assignment of the UV/Vis spectra. On the basis of polyvinyl alcohol (PVA) and the new synthesized azomethine dyes polarizing films for Visible region of spectrum were developed. The main optical parameters of polarizing PVA-films (Transmittance, Polarization Efficiency and Dichroic Ratio) have been measured and discussed. Anisotropy of thermal conductivity of the PVA-films has been studied.

Microwave assisted scalable synthesis of titanium ferrite nanomaterials

NASA Astrophysics Data System (ADS)

Shukla, Abhishek; Bhardwaj, Abhishek K.; Singh, S. C.; Uttam, K. N.; Gautam, Nisha; Himanshu, A. K.; Shah, Jyoti; Kotnala, R. K.; Gopal, R.

2018-04-01

Titanium ferrite magnetic nanomaterials are synthesized by one-step, one pot, and scalable method assisted by microwave radiation. Effects of titanium content and microwave exposure time on size, shape, morphology, yield, bonding nature, crystalline structure, and magnetic properties of titanium ferrite nanomaterials are studied. As-synthesized nanomaterials are characterized by X-ray diffraction (XRD), ultraviolet-visible absorption spectroscopy (UV-Vis), attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), Raman spectroscopy, transmission electron microscopy (TEM), and vibrating sample magnetometer measurements. XRD measurements depict the presence of two phases of titanium ferrite into the same sample, where crystallite size increases from ˜33 nm to 37 nm with the increase in titanium concentration. UV-Vis measurement showed broad spectrum in the spectral range of 250-600 nm which reveals that its characteristic peaks lie between ultraviolet and visible region; ATR-FTIR and Raman measurements predict iron-titanium oxide structures that are consistent with XRD results. The micrographs of TEM and selected area electron diffraction patterns show formation of hexagonal shaped particles with a high degree of crystallinity and presence of multi-phase. Energy dispersive spectroscopy measurements confirm that Ti:Fe compositional mass ratio can be controlled by tuning synthesis conditions. Increase of Ti defects into titanium ferrite lattice, either by increasing titanium precursor or by increasing exposure time, enhances its magnetic properties.

Spectral and Spatial UV Sky Radiance Measurements at a Seaside Resort Under Clear Sky and Slightly Overcast Conditions.

PubMed

Sandmann, Henner; Stick, Carsten

2014-01-01

Spatial measurements of the diffusely scattered sky radiance at a seaside resort under clear sky and slightly overcast conditions have been used to calculate the sky radiance distribution across the upper hemisphere. The measurements were done in the summer season when solar UV radiation is highest. The selected wavelengths were 307, 350 and 550 nm representing the UVB, UVA and VIS band. Absolute values of radiance differ considerably between the wavelengths. Normalizing the measured values by use of direct solar radiance made the spatial distributions of unequal sky radiance comparable. The results convey a spatial impression of the different distributions of the radiance at the three wavelengths. Relative scattered radiance intensity is one order of magnitude greater in UVB than in VIS, whereas in UVA lies roughly in between. Under slightly overcast conditions scattered radiance is increased at all three wavelengths by about one order of magnitude. These measurements taken at the seaside underline the importance of diffuse scattered radiance. The effect of shading parts of the sky can be estimated from the distribution of sky radiance. This knowledge might be useful for sun seekers and in the treatment of people staying at the seaside for therapeutic purposes. © 2013 The American Society of Photobiology.

Preparation, characterization and binding behaviors of host-guest inclusion complexes of metoclopramide hydrochloride with α- and β-cyclodextrin molecules

NASA Astrophysics Data System (ADS)

Barman, Siti; Barman, Biraj Kumar; Roy, Mahendra Nath

2018-03-01

The supramolecular interaction of metoclopramide hydrochloride (MP) with α-cyclodextrin (α-CD) and β-cyclodextrin (β-CD) has been inspected by ultraviolet-visible (UV-vis) light, infra-red (IR) light, fluorescence and 1H NMR spectroscopy. The formation of an inclusion complex greatly affects the physical-chemical properties of the guest molecules, such as solubility, chemical reactivity and the spectroscopic and electrochemical properties. Thus the changes in the spectral properties and physico-chemical properties confirm the inclusion complex formation. Surface tension, conductivity studies and Job's plot indicate a 1: 1 stoichiometry of the MP:CD host-guest inclusion complexes. The binding/association constants have been evaluated by both UV-Vis and fluorescence spectroscopic study indicating a higher degree of encapsulation for β-cyclodextrin (β-CD). Furthermore, the negative value of thermodynamic parameter (ΔG°) of the host-guest system suggests that the inclusion process proceeded spontaneously at 298.15 K. Based on the NMR data, the plausible mode of interaction of MP:α-CD and MP:β-CD complexes were proposed, which suggested that lipophilic aromatic ring of the MP entered into the cavity of CDs from the wider side, with the amide (sbnd CONH) and methoxy (-OMe) residues inside the CD cavity.

Radiation-induced change of optical property of hydroxypropyl cellulose hydrogel containing methacrylate compounds: As a basis for development of a new type of radiation dosimeter

NASA Astrophysics Data System (ADS)

Yamashita, Shinichi; Hiroki, Akihiro; Taguchi, Mitsumasa

2014-08-01

Hydrogels with matrix of a cellulose derivative, hydrogel of hydroxpropyl cellulose (HPC), containing two of methacrylate compounds (2-hydroxyethyl methacrylate (HEMA) and poly(ethylene glycol) dimethacrylate (9G)) were irradiated with 60Co γ-rays. The gels become white with irradiation, and thus, could be candidates of a new type of radiation dosimeter utilized in radiation therapy because the gels become white with irradiation and can be confirmed directly by human eyes even at low doses of 1-2 Gy. Radiation-induced change of optical properties, haze value and UV-vis absorption spectrum, of the irradiated gels was measured. Dose response of the white turbidity appearance was different for different compositions of the methacrylate compounds as well as for different dose rates. The degree of the radiation-induced white turbidity was quantified by measuring haze value, showing linear dose response in low dose region (<2 Gy). We also analyzed the gels with a UV-vis spectrometer and HEMA- and 9G-rich gels gave different spectral shapes, indicating that there are at least two mechanisms leading to the white turbidity. In addition, dose rate dependence was smaller for 9G-rich gels than HEMA-rich gels in the range of 0.015-1.5 Gy/min.

Spectral analysis, vibrational assignments, NBO analysis, NMR, UV-Vis, hyperpolarizability analysis of 2-aminofluorene by density functional theory.

PubMed

Jone Pradeepa, S; Sundaraganesan, N

2014-05-05

In this present investigation, the collective experimental and theoretical study on molecular structure, vibrational analysis and NBO analysis has been reported for 2-aminofluorene. FT-IR spectrum was recorded in the range 4000-400 cm(-1). FT-Raman spectrum was recorded in the range 4000-50 cm(-1). The molecular geometry, vibrational spectra, and natural bond orbital analysis (NBO) were calculated for 2-aminofluorene using Density Functional Theory (DFT) based on B3LYP/6-31G(d,p) model chemistry. (13)C and (1)H NMR chemical shifts of 2-aminofluorene were calculated using GIAO method. The computed vibrational and NMR spectra were compared with the experimental results. The total energy distribution (TED) was derived to deepen the understanding of different modes of vibrations contributed by respective wavenumber. The experimental UV-Vis spectra was recorded in the region of 400-200 nm and correlated with simulated spectra by suitably solvated B3LYP/6-31G(d,p) model. The HOMO-LUMO energies were measured with time dependent DFT approach. The nonlinearity of the title compound was confirmed by hyperpolarizabilty examination. Using theoretical calculation Molecular Electrostatic Potential (MEP) was investigated. Copyright © 2014 Elsevier B.V. All rights reserved.

Novel acid mono azo dye compound: Synthesis, characterization, vibrational, optical and theoretical investigations of 2-[(E)-(8-hydroxyquinolin-5-yl)-diazenyl]-4,5-dimethoxybenzoic acid

NASA Astrophysics Data System (ADS)

Saçmacı, Mustafa; Çavuş, Hatice Kanbur; Arı, Hatice; Şahingöz, Recep; Özpozan, Talat

2012-11-01

Novel acid mono azo dye, 2-[(E)-(8-hydroxyquinolin-5yl)-diazenyl]-4,5-dimethoxybenzoic acid (HQD), was synthesized by coupling diazonium salt solution of 2-amino-4,5-dimethoxybenzoic acid (DMA) with 8-hydroxyquinoline (HQ). This dye was characterized by UV-vis, IR & Raman, 1H and 13C NMR spectroscopic techniques and elemental analysis. The normal coordinate analysis of HQD was also performed to assign each band in vibrational spectra. DFT (B3LYP and B3PW91) calculations were employed to optimize the geometry, to interpret NMR spectra, to calculate and to determine the stable tautomeric structure of the compound. Natural Bond Orbital (NBO) analysis was performed to investigate intramolecular interactions. The vibrational spectral data obtained from solid phase IR & Raman spectra were assigned based on the results of the theoretical calculations. UV-vis spectroscopic technique was employed to obtain the optical band gap of HQD. The analysis of the optical absorption data revealed the existence of direct and indirect transitions in the optical band gaps. The optical band gaps of HQD have been found 1.95 and 1.90 eV for direct and indirect transitions, respectively.

A study of structural differences between TBM patients' and non-TBM persons' CSF using UV-Vis absorption spectroscopy

NASA Astrophysics Data System (ADS)

Xu, Fangcheng; Wang, Xin; Xu, Huajia; Wang, Kai

2016-01-01

Tuberculous meningitis (TBM) is a very common infectious disease in the central nervous system. The delay of diagnosing and treating TBM will lead to high disability and mortality of TBM. Hence, it is very important to promptly diagnose TBM early. In this work, we proposed a new method for diagnosing TBM with CSF samples by using UV-Vis absorption spectroscopy. CSF samples from TBM patients and non-TBM persons were compared, and the sensitivity, specificity, accuracy, positive predictive value reached 83.6%, 69.8%, 77.2%, 76.1% respectively. Our work indicated investigation of CSF using UV-Vis absorption spectroscopy might become a potentially useful method for TBM diagnosis.

UV-Vis as quantification tool for solubilized lignin following a single-shot steam process.

PubMed

Lee, Roland A; Bédard, Charles; Berberi, Véronique; Beauchet, Romain; Lavoie, Jean-Michel

2013-09-01

In this short communication, UV/Vis was used as an analytical tool for the quantification of lignin concentrations in aqueous mediums. A significant correlation was determined between absorbance and concentration of lignin in solution. For this study, lignin was produced from different types of biomasses (willow, aspen, softwood, canary grass and hemp) using steam processes. Quantification was performed at 212, 225, 237, 270, 280 and 287 nm. UV-Vis quantification of lignin was found suitable for different types of biomass making this a timesaving analytical system that could lead to uses as Process Analytical Tool (PAT) in biorefineries utilizing steam processes or comparable approaches. Copyright © 2013 Elsevier Ltd. All rights reserved.

A series of novel oxovanadium(IV) complexes: Synthesis, spectral characterization and antimicrobial study

NASA Astrophysics Data System (ADS)

Sahani, M. K.; Pandey, S. K.; Pandey, O. P.; Sengupta, S. K.

2014-09-01

Oxovanadium(IV) complexes have been synthesized by reacting vanadyl sulfate with Schiff bases derived from 4-amino-5-(substitutedphenoxyacetic acid)-1,2,4-triazole-3-thiol and benzil. All these complexes are soluble in DMF and DMSO; low molar conductance values indicate that they are non-electrolytes and characterized by elemental analysis, spectral techniques (UV-Vis, IR, EPR and XRD) and magnetic moment measurements. The EPR spectra indicate that the free electron is in dxy orbital. In vitro antifungal activity of ligands and synthesized compounds was determined against fungi Aspergillus niger, Colletotrichum falcatum and Colletotrichum pallescence and in vitro antibacterial activity was determined by screening the compounds against Gram-negative (Escherichia coli and Salmonella typhi) and Gram-positive (Staphylococcus aureus and Bacillus subtilis) bacterial strains. The antimicrobial activities have shown that the activity increases upon complexation.

Multi-optical mine detection: results from a field trial

NASA Astrophysics Data System (ADS)

Letalick, Dietmar; Tolt, Gustav; Sjökvist, Stefan K.; Nyberg, Sten; Grönwall, Christina; Andersson, Pierre; Linderhed, Anna; Forssell, Göran; Larsson, Håkan; Uppsäll, Magnus

2006-05-01

As a part of the Swedish mine detection project MOMS, an initial field trial was conducted at the Swedish EOD and Demining Centre (SWEDEC). The purpose was to collect data on surface-laid mines, UXO, submunitions, IED's, and background with a variety of optical sensors, for further use in the project. Three terrain types were covered: forest, gravel road, and an area which had recovered after total removal of all vegetation some years before. The sensors used in the field trial included UV, VIS, and NIR sensors as well as thermal, multi-spectral, and hyper-spectral sensors, 3-D laser radar and polarization sensors. Some of the sensors were mounted on an aerial work platform, while others were placed on tripods on the ground. This paper describes the field trial and the presents some initial results obtained from the subsequent analysis.

Infrared spectroscopic ellipsometry of micrometer-sized SiO2 line gratings

NASA Astrophysics Data System (ADS)

Walder, Cordula; Zellmeier, Matthias; Rappich, Jörg; Ketelsen, Helge; Hinrichs, Karsten

2017-09-01

For the design and process control of periodic nano-structured surfaces spectroscopic ellipsometry is already established in the UV-VIS spectral regime. The objective of this work is to show the feasibility of spectroscopic ellipsometry in the infrared, exemplarily, on micrometer-sized SiO2 line gratings grown on silicon wafers. The grating period ranges from 10 to about 34 μm. The IR-ellipsometric spectra of the gratings exhibit complex changes with structure variations. Especially in the spectral range of the oxide stretching modes, the presence of a Rayleigh singularity can lead to pronounced changes of the spectrum with the sample geometry. The IR-ellipsometric spectra of the gratings are well reproducible by calculations with the RCWA method (Rigorous Coupled Wave Analysis). Therefore, infrared spectroscopic ellipsometry allows the quantitative characterization and process control of micrometer-sized structures.

Dual fluorescence of N-phenylanthranilic acid: Effect of solvents, pH and beta-cyclodextrin.

PubMed

Rajendiran, N; Balasubramanian, T

2007-11-01

Spectral characteristics of N-phenylanthranilic acid (NPAA) have been studied in different solvents, pH and beta-cyclodextrin (beta-CD) and compared with anthranilic acid (2-aminobenzoic acid, 2ABA). In all solvents a dual fluorescence is observed in NPAA, whereas 2ABA gives single emission. Combining the results observed in the absorption, fluorescence emission and fluorescence excitation spectra, it is found that strong intramolecular hydrogen bonding (IHB) interactions present in NPAA molecule. The inclusion complex of NPAA with beta-CD is analysed by UV-vis, fluorimetry, FT-IR, (1)H NMR, scanning electron microscope and AM 1 method. The above spectral studies show that NPAA forms a 1:1 inclusion complex with beta-CD and COOH group present in the beta-CD cavity. A mechanism is proposed to explain the inclusion process.

Dual fluorescence of N-phenylanthranilic acid: Effect of solvents, pH and β-cyclodextrin

NASA Astrophysics Data System (ADS)

Rajendiran, N.; Balasubramanian, T.

2007-11-01

Spectral characteristics of N-phenylanthranilic acid (NPAA) have been studied in different solvents, pH and β-cyclodextrin (β-CD) and compared with anthranilic acid (2-aminobenzoic acid, 2ABA). In all solvents a dual fluorescence is observed in NPAA, whereas 2ABA gives single emission. Combining the results observed in the absorption, fluorescence emission and fluorescence excitation spectra, it is found that strong intramolecular hydrogen bonding (IHB) interactions present in NPAA molecule. The inclusion complex of NPAA with β-CD is analysed by UV-vis, fluorimetry, FT-IR, 1H NMR, scanning electron microscope and AM 1 method. The above spectral studies show that NPAA forms a 1:1 inclusion complex with β-CD and COOH group present in the β-CD cavity. A mechanism is proposed to explain the inclusion process.

Temporal Variability of Stemflow Dissolved Organic Carbon (DOC) Concentrations and Quality from Morphologically Contrasting Deciduous Canopies

NASA Astrophysics Data System (ADS)

van Stan, J. T.; Levia, D. F.; Inamdar, S. P.; Mitchell, M. J.; Mage, S. M.

2010-12-01

Dissolved organic carbon (DOC) inputs from canopy-derived hydrologic fluxes play a significant role in the terrestrial carbon budgets of forested ecosystems. However, no studies known to the authors have examined the variability of both DOC concentrations and quality for stemflow across time scales, nor has any study to date evaluated the effects of canopy structure on stemflow DOC characteristics. This investigation seeks to rectify this knowledge gap by examining the variability of stemflow DOC concentrations and quality across contrasting canopy morphologies and time scales (seasonal, storm and intrastorm). Bulk and intrastorm stemflow samples from a less dense, rough-barked, more plagiophile (Liriodendron tulipifera L. (tulip poplar)) and a denser, thin-barked, more erectophile (Fagus grandifolia Ehrh. (American beech)) canopy were collected and analyzed for DOC quality using metrics derived from UV-vis spectroscopy (E2:E3 ratio, SUVA254, select spectral slope (S), and spectral slope ratios (SR)). Our results suggest that stemflow DOC concentrations and quality change as crown architectural traits enhance or diminish hydrologic retention time within the canopy. The architecture of L. tulipifera canopies likely retards the flow of intercepted water, increasing chemical exchange with bark and foliar surfaces. UV-vis metrics indicated that this increased chemical exchange, particularly with bark surfaces, generally enhanced aromatic hydrocarbon content and increased molecular weight. Because leaf presence influenced DOC quality, stemflow DOC characteristics also varied seasonally in response to canopy condition. At the inter- and intrastorm scale, stemflow DOC concentration and quality varied with meteorological and antecedent canopy conditions. Since recent studies have linked stemflow production to preferential subsurface transport of dissolved chemistries, trends in DOC speciation and fluxes described in this study may impact soil environments within wooded ecosystems.

An improved synthesis, spectroscopic (FT-IR, NMR) study and DFT computational analysis (IR, NMR, UV-Vis, MEP diagrams, NBO, NLO, FMO) of the 1,5-methanoazocino[4,3-b]indole core structure

NASA Astrophysics Data System (ADS)

Uludağ, Nesimi; Serdaroğlu, Goncagül

2018-03-01

This study examines the synthesis of azocino[4,3-b]indole structure, which constitutes the tetracyclic framework of uleine, dasycarpidoneand tubifolidineas well as ABDE substructure of the strychnosalkaloid family. It has been synthesized by Fischer indolization of 2 and through the cylization of 4 by 2,3-dichlor-5-6-dicyanobenzoquinone (DDQ). 1H and 1C NMR chemical shifts have been predicted with GIAO approach and the calculated chemical shifts show very good agreement with observed shifts. FT-IR spectroscopy is important for the analysis of functional groups of synthesized compounds and we also supported FT-IR vibrational analysis with computational IR analysis. The vibrational spectral analysis was performed at B3LYP level of the theory in both the gas and the water phases and it was compared with the observed IR values for the important functional groups. The DFT calculations have been conducted to determine the most stable structure of the 1,2,3,4,5,6,7-Hexahydro-1,5-methanoazocino [4,3-b] indole (5). The Frontier Molecular Orbital Analysis, quantum chemical parameters, physicochemical properties have been predicted by using the same theory of level in both gas phase and the water phase, at 631 + g** and 6311++g** basis sets. TD- DFT calculations have been performed to predict the UV- Vis spectral analysis for this synthesized molecule. The Natural Bond Orbital (NBO) analysis have been performed at B3LYP level of theory to elucidate the intra-molecular interactions such as electron delocalization and conjugative interactions. NLO calculations were conducted to obtain the electric dipole moment and polarizability of the title compound.

Construction of genetically engineered M13K07 helper phage for simultaneous phage display of gold binding peptide 1 and nuclear matrix protein 22 ScFv antibody.

PubMed

Fatemi, Farnaz; Amini, Seyed Mohammad; Kharrazi, Sharmin; Rasaee, Mohammad Javad; Mazlomi, Mohammad Ali; Asadi-Ghalehni, Majid; Rajabibazl, Masoumeh; Sadroddiny, Esmaeil

2017-11-01

The most common techniques of antibody phage display are based on the use of M13 filamentous bacteriophages. This study introduces a new genetically engineered M13K07 helper phage displaying multiple copies of a known gold binding peptide on p8 coat proteins. The recombinant helper phages were used to rescue a phagemid vector encoding the p3 coat protein fused to the nuclear matrix protein 22 (NMP22) ScFv antibody. Transmission electron microscopy (TEM), UV-vis absorbance spectroscopy, and field emission scanning electron microscopy (FE-SEM) with energy dispersive X-ray spectroscopy (EDX) analysis revealed that the expression of gold binding peptide 1 (GBP1) on major coat protein p8 significantly enhances the gold-binding affinity of M13 phages. The recombinant bacteriophages at concentrations above 5×10 4 pfu/ml red-shifted the UV-vis absorbance spectra of gold nanoparticles (AuNPs); however, the surface plasmon resonance of gold nanoparticles was not changed by the wild type bacteriophages at concentrations up to 10 12 pfu/ml. The phage ELISA assay demonstrated the high affinity binding of bifunctional bacteriophages to NMP22 antigen at concentrations of 10 5 and 10 6 pfu/ml. Thus, the p3 end of the bifunctional bacteriophages would be able to bind to specific target antigen, while the AuNPs were assembled along the coat of virus for signal generation. Our results indicated that the complex of antigen-bacteriophages lead to UV-vis spectral changes of AuNPs and NMP22 antigen in concentration range of 10-80μg/ml can be detected by bifunctional bacteriophages at concentration of 10 4 pfu/ml. The ability of bifunctional bacteriophages to bind to antigen and generate signal at the same time, makes this approach applicable for identifying different antigens in immunoassay techniques. Copyright © 2017 Elsevier B.V. All rights reserved.

Comparative evaluation of an ISO 3632 method and an HPLC-DAD method for safranal quantity determination in saffron.

PubMed

García-Rodríguez, M Valle; López-Córcoles, Horacio; Alonso, Gonzalo L; Pappas, Christos S; Polissiou, Moschos G; Tarantilis, Petros A

2017-04-15

The aim of this work was a comparison of the ISO 3632 (2011) method and an HPLC-DAD method for safranal quantity determination in saffron. Samples from different origins were analysed by UV-vis according to ISO 3632 (2011) and by HPLC-DAD. Both methods were compared, and there was no correlation between the safranal content obtained by UV-vis and HPLC-DAD. An over-estimation in the UV-vis experiment was observed, which was related to the cis-crocetin esters content, as well as other compounds. The results demonstrated that there was no relationship between ISO quality categories and safranal content using HPLC-DAD. Therefore, HPLC-DAD might be preferable to UV-vis for determining the safranal content and the classification of saffron for commercial purposes. In addition, HPLC-DAD was adequate for determining the three foremost parameters that define the quality of saffron (crocetin esters, picrocrocin and safranal); therefore, this approach could be included in the ISO 3632 method (2011). Copyright © 2016 Elsevier Ltd. All rights reserved.

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.

Computational Photophysics in the Presence of an Environment

NASA Astrophysics Data System (ADS)

Nogueira, Juan J.; González, Leticia

2018-04-01

Most processes triggered by ultraviolet (UV) or visible (vis) light in nature take place in complex biological environments. The first step in these photophysical events is the excitation of the absorbing system or chromophore to an electronically excited state. Such an excitation can be monitored by the UV-vis absorption spectrum. A precise calculation of the UV-vis spectrum of a chromophore embedded in an environment is a challenging task that requires the consideration of several ingredients, besides an accurate electronic-structure method for the excited states. Two of the most important are an appropriate description of the interactions between the chromophore and the environment and accounting for the vibrational motion of the whole system. In this contribution, we review the most common theoretical methodologies to describe the environment (including quantum mechanics/continuum and quantum mechanics/molecular mechanics models) and to account for vibrational sampling (including Wigner sampling and molecular dynamics). Further, we illustrate in a series of examples how the lack of these ingredients can lead to a wrong interpretation of the electronic features behind the UV-vis absorption spectrum.

Non-contact assessment of COD and turbidity concentrations in water using diffuse reflectance UV-Vis spectroscopy.

PubMed

Agustsson, Jon; Akermann, Oliver; Barry, D Andrew; Rossi, Luca

2014-08-01

Water contamination is an important environmental concern underlining the need for reliable real-time information on contaminant concentrations in natural waters. Here, a new non-contact UV-Vis spectroscopic approach for monitoring contaminants in water, and especially wastewater, is proposed. Diffuse reflectance UV-Vis spectroscopy was applied to measure simultaneously the chemical oxygen demand (COD) and turbidity (TUR) concentrations in water. The measurements were carried out in the wavelength range from 200-1100 nm. The measured spectra were analysed using partial-least-squares (PLS) regression. The correlation coefficient between the measured and the reference concentrations of COD and TUR in the water samples were R(2) = 0.85 and 0.96, respectively. These results highlight the potential of non-contact UV-Vis spectroscopy for the assessment of water contamination. A system built on the concept would be able to monitor wastewater pollution continuously, without the need for laborious sample collection and subsequent laboratory analysis. Furthermore, since no parts of the system are in contact with the wastewater stream the need for maintenance is minimised.

RESOURCESAT-2: a mission for Earth resources management

NASA Astrophysics Data System (ADS)

Venkata Rao, M.; Gupta, J. P.; Rattan, Ram; Thyagarajan, K.

2006-12-01

The Indian Space Research Organisation (ISRO) has established an operational Remote sensing satellite system by launching its first satellite, IRS-1A in 1988, followed by a series of IRS spacecraft. The IRS-1C/1D satellites with their unique combination of Payloads have taken a lead position in the Global remote sensing scenario. Realising the growing User demands for the "Multi" level approach in terms of Spatial, Spectral, Temporal and Radiometric resolutions, ISRO identified the Resourcesat as a continuity as well as improved RS Satellite. The Resourcesat-1 (IRS-P6) was launched in October 2003 using PSLV launch vehicle and it is in operational service. Resourcesat-2 is its follow-on Mission scheduled for launch in 2008. Each Resourcesat satellite carries three Electro-optical cameras as its payload - LISS-3, LISS-4 and AWIFS. All the three are multi-spectral push-broom scanners with linear array CCDs as Detectors. LISS-3 and AWIFS operate in four identical spectral bands in the VIS-NIR-SWIR range while LISS-4 is a high resolution camera with three spectral bands in VIS-NIR range. In order to meet the stringent requirements of band-to-band registration and platform stability, several improvements have been incorporated in the mainframe Bus configuration like wide field Star trackers, precision Gyroscopes, on-board GPS receiver etc,. The Resourcesat data finds its application in several areas like agricultural crop discrimination and monitoring, crop acreage/yield estimation, precision farming, water resources, forest mapping, Rural infrastructure development, disaster management etc,. to name a few. A brief description of the Payload cameras, spacecraft bus elements and operational modes and few applications are presented.

A visible light-curable yet visible wavelength-transparent resin for stereolithography 3D printing

NASA Astrophysics Data System (ADS)

Park, Hong Key; Shin, Mikyung; Kim, Bongkyun; Park, Jin Woo; Lee, Haeshin

2018-04-01

Herein, a new polymeric resin for stereolithography (SLA) three-dimensional printing (SLA-3DP) is reported. An ultraviolet (UV) or visible (VIS) light source is critical for SLA printing technology. UV light can be used to manufacture 3D objects in SLA-3DP, but there are significant occupational safety and health issues (particularly for eyes). These issues prevent the widespread use of SLA-3DP at home or in the office. Through the use of VIS light, the safety and health issues can largely be solved, but only non-transparent 3D objects can be manufactured, which prevents the application of 3DP to the production of various common transparent consumer products. For these reasons, we developed a VIS light-curable yet visibly transparent resin for SLA-3DP, which also retains UV curability. The key was to identify the photoinitiator diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide (DPTBP). DPTBP was originally designed as a UV photoinitiator, but we found that VIS light irradiation is sufficient to split DPTBP and generate radicals due to its slight VIS light absorption up to 420 nm. The cured resin displays high transparency and beautiful transparent colors by incorporating various dyes; additionally, its mechanical properties are superior to those of commercial resins (Arario 410) and photoinitiators (Irgacure 2959).

Photoemission Experiments for Charge Characteristics of Individual Dust Grains

NASA Technical Reports Server (NTRS)

Abbas, M. M.; Craven, P. D.; Spann, J. F.; West, E.; Pratico, J.; Tankosic, D.; Venturini, C. C.; Six, N. Frank (Technical Monitor)

2001-01-01

Photoemission experiments with UV radiation have been performed to investigate the microphysics and charge characteristics of individual isolated dust grains of various compositions and sizes by using the electrodynamic balance facility at NASA Marshall Space Flight Center. Dust particles of 2-10 gm diameter are levitated in a vacuum chamber at pressures approximately 10(exp-5) torr and exposed to a collimated beam of UV radiation in the 120-200 nm spectral range from a deuterium lamp source with a MgF2 window. A monochromator is used to select the UV wavelength with a spectral resolution of 8 nm. The electrodynamic facility permits measurements of the charge and diameters of particles of known composition, and monitoring of photoemission rates with the incident UV radiation. Experiments have been conducted on test particles of silica and polystyrene to determine the photoelectric yields and surface equilibrium potentials when exposed to UV radiation. A brief description of an experimental procedure for photoemission studies is given and some preliminary laboratory measurements of the photoelectric yields of individual dust particles are presented.

Laccase-Catalyzed Synthesis of Low-Molecular-Weight Lignin-Like Oligomers and their Application as UV-Blocking Materials.

PubMed

Lim, Jieyan; Sana, Barindra; Krishnan, Ranganathan; Seayad, Jayasree; Ghadessy, Farid J; Jana, Satyasankar; Ramalingam, Balamurugan

2018-02-02

The laccase-catalyzed oxidative polymerization of monomeric and dimeric lignin model compounds was carried out with oxygen as the oxidant in aqueous medium. The oligomers were characterized by using gel permeation chromatography (GPC) and matrix-assisted laser desorption ionization time-of-flight mass spectroscopy (MALDI-TOF MS) analysis. Oxidative polymerization led to the formation of oligomeric species with a number-average molecular weight (M n ) that ranged from 700 to 2300 Da with a low polydispersity index. Spectroscopic analysis provided insight into the possible modes of linkages present in the oligomers, and the oligomerization is likely to proceed through the formation of C-C linkages between phenolic aromatic rings. The oligomers were found to show good UV light absorption characteristics with high molar extinction coefficient (5000-38 000 m -1  cm -1 ) in the UV spectral region. The oligomers were blended independently with polyvinyl chloride (PVC) by using solution blending to evaluate the compatibility and UV protection ability of the oligomers. The UV/Vis transmittance spectra of the oligomer-embedded PVC films indicated that these lignin-like oligomers possessed a notable ability to block UV light. In particular, oligomers obtained from vanillyl alcohol and the dimeric lignin model were found to show good photostability in accelerated UV weathering experiments. The UV-blocking characteristics and photostability were finally compared with the commercial low-molecular-weight UV stabilizer 2,4-dihydroxybenzophenone. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Dynamic Determination of Some Optical and Electrical Properties of Galena Natural Mineral: Potassium Ethyl Xanthate Solution Interface

NASA Astrophysics Data System (ADS)

Todoran, D.; Todoran, R.; Anitas, E. M.; Szakacs, Zs.

2017-12-01

This paper presents results concerning optical and electrical properties of galena natural mineral and of the interface layer formed between it and the potassium ethyl xanthate solution. The applied experimental method was differential optical reflectance spectroscopy over the UV-Vis/NIR spectral domain. Computations were made using the Kramers-Kronig formalism. Spectral dependencies of the electron loss functions, determined from the reflectance data obtained from the polished mineral surface, display van Hove singularities, leading to the determination of its valence band gap and electron plasma energy. Time dependent measurement of the spectral dispersion of the relative reflectance of the film formed at the interface, using the same computational formalism, leads to the dynamical determination of the spectral variation of its optical and electrical properties. We computed behaviors of the dielectric constant (dielectric permittivity), the dielectric loss function, refractive index and extinction coefficient, effective valence number and of the electron loss functions. The measurements tend to stabilize when the dynamic adsorption-desorption equilibrium is reached at the interface level.

Photoprotection and photoreception of intraocular lenses under xenon and white LED illumination.

PubMed

Artigas, J M; Navea, A; García-Domene, M C; Artigas, C; Lanzagorta, A

2016-05-01

To analyze the photoprotection and phototransmission that various intraocular lenses (IOLs) provide under the illumination of a xenon (Xe) lamp and white LEDs (light emitting diode). The spectral transmission curves of six representative IOLs were measured using a Perkin-Elmer Lambda 35 UV/VIS spectrometer. Various filtering simulations were performed using a Xe lamp and white LEDs. The spectral emissions of these lamps were measured with an ILT-950 spectroradiometer. The IOLs analyzed primarily show transmission of nearly 100% in the visible spectrum. In the ultraviolet (UV) region, the filters incorporated in the various IOLs did not filter equally, and some of them let an appreciable amount of UV through. The Xe lamp presented a strong emission of ultraviolet A (UVA), and its emission under 300nm was not negligible. The white LED did not present an appreciable emission under 380nm. The cut-off wavelength of most filters is between 380 and 400nm (Physiol Hydriol60C(®), IOLTECH E4T(®), Alcon SA60AT(®), Alcon IQ SN60WF(®)), so that their UV protection is very effective. Nonetheless, the IOL OPHTEC Oculaid(®) contains a filter that, when a Xe lamp is used, lets through up to 20% for 350nm and up to 15% for 300nm, which at this point is ultraviolet B (UVB). The OPHTEC(®) Artisan IOL has a transmission peak below 300nm, which must be taken into account under Xe illumination. White LEDs do not emit energy below 380nm, so no special protection is required in the UV region. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

Measuring Rocket Engine Temperatures with Hydrogen Raman Spectroscopy

NASA Technical Reports Server (NTRS)

Wehrmeyer, Joseph A.; Osborne, Robin J.; Trinh, Huu P.; Turner, James (Technical Monitor)

2001-01-01

Optically accessible, high pressure, hot fire test articles are available at NASA Marshall for use in development of advanced rocket engine propellant injectors. Single laser-pulse ultraviolet (UV) Raman spectroscopy has been used in the past in these devices for analysis of high pressure H2- and CH4-fueled combustion, but relies on an independent pressure measurement in order to provide temperature information. A variation of UV Raman (High Resolution Hydrogen Raman Spectroscopy) is under development and will allow temperature measurement without the need for an independent pressure measurement, useful for flows where local pressure may not be accurately known. The technique involves the use of a spectrometer with good spectral resolution, requiring a small entrance slit for the spectrometer. The H2 Raman spectrum, when created by a narrow linewidth laser source and obtained from a good spectral resolution spectrograph, has a spectral shape related to temperature. By best-fit matching an experimental spectrum to theoretical spectra at various temperatures, a temperature measurement is obtained. The spectral model accounts for collisional narrowing, collisional broadening, Doppler broadening, and collisional line shifting of each Raman line making up the H2 Stokes vibrational Q-branch spectrum. At pressures from atmospheric up to those associated with advanced preburner components (5500 psia), collisional broadening though present does not cause significant overlap of the Raman lines, allowing high resolution H2 Raman to be used for temperature measurements in plumes and in high pressure test articles. Experimental demonstrations of the technique are performed for rich H2-air flames at atmospheric pressure and for high pressure, 300 K H2-He mixtures. Spectrometer imaging quality is identified as being critical for successful implementation of technique.

An Enhanced UV-Vis-NIR an d Flexible Photodetector Based on Electrospun ZnO Nanowire Array/PbS Quantum Dots Film Heterostructure.

PubMed

Zheng, Zhi; Gan, Lin; Zhang, Jianbing; Zhuge, Fuwei; Zhai, Tianyou

2017-03-01

ZnO nanostructure-based photodetectors have a wide applications in many aspects, however, the response range of which are mainly restricted in the UV region dictated by its bandgap. Herein, UV-vis-NIR sensitive ZnO photodetectors consisting of ZnO nanowires (NW) array/PbS quantum dots (QDs) heterostructures are fabricated through modified electrospining method and an exchanging process. Besides wider response region compared to pure ZnO NWs based photodetectors, the heterostructures based photodetectors have faster response and recovery speed in UV range. Moreover, such photodetectors demonstrate good flexibility as well, which maintain almost constant performances under extreme (up to 180°) and repeat (up to 200 cycles) bending conditions in UV-vis-NIR range. Finally, this strategy is further verified on other kinds of 1D nanowires and 0D QDs, and similar enhancement on the performance of corresponding photodetecetors can be acquired, evidencing the universality of this strategy.

Computational multispectral video imaging [Invited].

PubMed

Wang, Peng; Menon, Rajesh

2018-01-01

Multispectral imagers reveal information unperceivable to humans and conventional cameras. Here, we demonstrate a compact single-shot multispectral video-imaging camera by placing a micro-structured diffractive filter in close proximity to the image sensor. The diffractive filter converts spectral information to a spatial code on the sensor pixels. Following a calibration step, this code can be inverted via regularization-based linear algebra to compute the multispectral image. We experimentally demonstrated spectral resolution of 9.6 nm within the visible band (430-718 nm). We further show that the spatial resolution is enhanced by over 30% compared with the case without the diffractive filter. We also demonstrate Vis-IR imaging with the same sensor. Because no absorptive color filters are utilized, sensitivity is preserved as well. Finally, the diffractive filters can be easily manufactured using optical lithography and replication techniques.

DNA Binding, Cleavage and Antibacterial Activity of Mononuclear Cu(II), Ni(II) and Co(II) Complexes Derived from Novel Benzothiazole Schiff Bases.

PubMed

Vamsikrishna, Narendrula; Kumar, Marri Pradeep; Tejaswi, Somapangu; Rambabu, Aveli; Shivaraj

2016-07-01

A series of novel bivalent metal complexes M(L1)2 and M(L2)2 where M = Cu(II), Ni(II), Co(II) and L1 = 2-((benzo [d] thiazol-6-ylimino)methyl)-4-bromophenol [BTEMBP], L2 = 1-((benzo [d] thiazol-6-ylimino)methyl) naphthalen-2-ol [BTEMNAPP] were synthesized. All the compounds have been characterized by elemental analysis, SEM, Mass, (1)H NMR, (13)C NMR, UV-Vis, IR, ESR, spectral data and magnetic susceptibility measurements. Based on the analytical and spectral data four-coordinated square planar geometry is assigned to all the complexes. DNA binding properties of these complexes have been investigated by electronic absorption spectroscopy, fluorescence and viscosity measurements. It is observed that these binary complexes strongly bind to calf thymus DNA by an intercalation mode. DNA cleavage efficacy of these complexes was tested in presence of H2O2 and UV light by gel electrophoresis and found that all the complexes showed better nuclease activity. Finally the compounds were screened for antibacterial activity against few pathogens and found that the complexes have potent biocidal activity than their free ligands.

Uric acid detection using uv-vis spectrometer

NASA Astrophysics Data System (ADS)

Norazmi, N.; Rasad, Z. R. Abdul; Mohamad, M.; Manap, H.

2017-10-01

The aim of this research is to detect uric acid (UA) concentration using Ultraviolet-Visible (UV-Vis) spectrometer in the Ultraviolet (UV) region. Absorption technique was proposed to detect different uric acid concentrations and its UV absorption wavelength. Current practices commonly take a lot of times or require complicated structures for the detection process. By this proposed spectroscopic technique, every concentration can be detected and interpreted into an absorbance value at a constant wavelength peak in the UV region. This is due to the chemical characteristics belong to the uric acid since it has a particular absorption cross-section, σ which can be calculated using Beer’s Lambert law formula. The detection performance was displayed using Spectrasuite sofware. It showed fast time response about 3 seconds. The experiment proved that the concentrations of uric acid were successfully detected using UV-Vis spectrometer at a constant absorption UV wavelength, 294.46 nm in a low time response. Even by an artificial sample of uric acid, it successfully displayed a close value as the ones reported with the use of the medical sample. It is applicable in the medical field and can be implemented in the future for earlier detection of abnormal concentration of uric acid.

Investigation into the interaction of methylparaben and erythromycin with human serum albumin using multispectroscopic methods.

PubMed

Naik, Keerti M; Nandibewoor, Sharanappa T

2016-03-01

In this paper, the interaction of methylparaben and erythromycin with human serum albumin (HSA) was studied for the first time using spectroscopic methods including Fourier transform infrared (FTIR) spectroscopy and UV absorption spectroscopy in combination with fluorescence quenching under physiological conditions. The binding parameters were evaluated using a fluorescence quenching method. Based on Förster's theory of non-radiation energy transfer, the binding average distance, r between the donor (HSA) and the acceptor (methylparaben and erythromycin) was evaluated. UV/vis absorption, FTIR, synchronous and 3D spectral results showed that the conformation of HSA was changed in the presence of methylparaben and erythromycin. The thermodynamic parameters were calculated according to the van't Hoff equation and are discussed. The effect of some biological metal ions and site probes on the binding of methylparaben and erythromycin to HSA were further examined. Copyright © 2015 John Wiley & Sons, Ltd.

Mixed-ligand Ru(II) complexes with 2,2'-bipyridine and aryldiazo-beta-diketonato auxillary ligands: synthesis, physico-chemical study and antitumour properties.

PubMed

Mishra, Lallan; Yadaw, Ajay K; Bhattacharya, Subrato; Dubey, Santosh K

2005-05-01

The complexes of Ru(II)-2,2'-bipyridyl with substituted diazopentane-2,4-diones (L1H-L5H) were synthesized and characterized by elemental analyses, conductance, FAB (fast atom bombardment) mass and spectral (IR, UV/Vis (UV/visible), NMR) studies. Molecular geometry optimization of the complexes was also made. None of the complexes luminesce. However, facilitated oxidation of Ru(II) to Ru(III) was evidenced from their lower reduction potential data. The ligands and their complexes were tested for their antitumour activity against a variety of tumour cell lines. Though activity is found to vary with the type of tumour cell lines used, yet complex 5 with naphtyldiazopentane-2,4-dione as co-ligand was found to be a potential compound as it showed in general significant activity against all cell lines studied.

Structure of Z-scheme CdS/CQDs/BiOCl heterojunction with enhanced photocatalytic activity for environmental pollutant elimination

NASA Astrophysics Data System (ADS)

Pan, Jinbo; Liu, Jianjun; Zuo, Shengli; Khan, Usman Ali; Yu, Yingchun; Li, Baoshan

2018-06-01

Z-scheme CdS/CQDs/BiOCl heterojunction was synthesized by a facile region-selective deposition process. Owing to the electronegativity of the groups on the surface of Carbon Quantum Dots (CQDs), they can be sandwiched between CdS and BiOCl, based on the stepwise region-selective deposition process. The samples were systematically characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), high resolution TEM (HRTEM), X-ray photoelectron spectroscopy (XPS), UV-vis diffuse reflectance spectroscopy (UV-vis DRS), photoelectrochemical measurements and photoluminescence (PL). The results indicate that CQDs with size of 2-5 nm and CdS nanoparticles with size of 5-10 nm dispersed uniformly on the surface of cuboid BiOCl nanosheets. The photocatalytic performance tests reveal that the CdS/CQDs/BiOCl heterojunction exhibits much higher photocatalytic activity than that of BiOCl, CdS/BiOCl and CQDs/BiOCl for Rhodamine B (RhB) and phenol photodegradation under visible and UV light illumination, respectively. The enhanced photocatalytic performance should be attributed to the Z-scheme structure of CdS/CQDs/BiOCl, which not only improves visible light absorption and the migration efficiency of the photogenerated electron-holes but also keeps high redox ability of CdS/CQDs/BiOCl composite.

UV/Vis visible optical waveguides fabricated using organic-inorganic nanocomposite layers.

PubMed

Simone, Giuseppina; Perozziello, Gerardo

2011-03-01

Nanocomposite layers based on silica nanoparticles and a methacrylate matrix are synthesized by a solvent-free process and characterized in order to realize UV/Vis transparent optical waveguides. Chemical functionalization of the silica nanoparticles permits to interface the polymers and the silica. The refractive index, roughness and wettability and the machinability of the layers can be tuned changing the silica nanoparticle concentration and chemical modification of the surface of the nanoparticles. The optical transparency of the layers is affected by the nanoparticles organization between the organic chains, while it increased proportionally with respect to silica concentration. Nanocomposite layers with a concentration of 40 wt% in silica reached UV transparency for a wavelength of 250 nm. UV/Vis transparent waveguides were micromilled through nanocomposite layers and characterized. Propagation losses were measured to be around 1 dB cm(-1) at a wavelength of 350 nm.

Molecular Engineering of UV/Vis Light-Emitting Diode (LED)-Sensitive Donor-π-Acceptor-Type Sulfonium Salt Photoacid Generators: Design, Synthesis, and Study of Photochemical and Photophysical Properties.

PubMed

Wu, Xingyu; Jin, Ming; Xie, Jianchao; Malval, Jean-Pierre; Wan, Decheng

2017-11-07

A series of donor-π-acceptor-type sulfonium salt photoacid generators (PAGs) were designed and synthesized by systematically changing electron-donating groups, π-conjugated systems, electron-withdrawing groups, and the number of branches through molecular engineering. These PAGs can effectively decompose under UV/Vis irradiation from a light-emitting diode (LED) light source because of the matching absorption and emitting spectra of the LEDs. The absorption and acid-generation properties of these sulfonium salts were elucidated by UV/Vis spectroscopy and so forth. Results indicated that the PAG performance benefited from the introduction of strong electron-donating groups, specific π-conjugated structures, certain electron-withdrawing groups, or two-branched structures. Most sulfonium salts showed potential as photoinitiators under irradiation by a wide variety of UV and visible LEDs. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Biosynthesis of palladium nanoparticles using Saccharomyces cerevisiae extract and its photocatalytic degradation behaviour

NASA Astrophysics Data System (ADS)

Sriramulu, Mohana; Sumathi, Shanmugam

2018-06-01

In this article, we have discussed the biosynthesis of palladium nanoparticles (PdNPs) using aqueous Saccharomyces cerevisiae extract and its photocatalytic application. The biosynthesised PdNPs were characterised by UV-Vis spectroscopy (UV-Vis), Fourier transform infrared spectroscopy (FTIR), x-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDX) and Atomic force microscopy (AFM). The formation of PdNPs was confirmed from the disappearance of the peak at 405 nm in the UV-Vis spectrum. Agglomerated and hexagonal shaped PdNPs were noted by SEM. FTIR was performed to identify the biomolecules responsible for the synthesis of PdNPs. Bioactive compounds in the yeast extract acted as secondary metabolites which facilitated the formation of PdNPs. The yeast synthesised PdNPs degraded 98% of direct blue 71 dye photochemically within 60 min under UV light.

Nanomedicine photoluminescence crystal-inspired brain sensing approach

NASA Astrophysics Data System (ADS)

Fang, Yan; Wang, Fangzhen; Wu, Rong

2018-02-01

Precision sensing needs to overcome a gap of a single atomic step height standard. In response to the cutting-edge challenge, a heterosingle molecular nanomedicine crystal was developed wherein a nanomedicine crystal height less than 1 nm was designed and selfassembled on a substrate of either a highly ordered and freshly separated graphite or a N-doped silicon with hydrogen bonding by a home-made hybrid system of interacting single bioelectron donor-acceptor and a single biophoton donor-acceptor according to orthogonal mathematical optimization scheme, and an atomic spatial resolution conducting atomic force microscopy (C-AFM) with MHz signal processing by a special transformation of an atomic force microscopy (AFM) and a scanning tunneling microscopy (STM) were employed, wherein a z axis direction UV-VIS laser interferometer and a feedback circuit were used to achieve the minimized uncertainty of a micro-regional structure height and its corresponding local differential conductance quantization (spin state) process was repeatedly measured with a highly time resolution, as well as a pulsed UV-VIS laser micro-photoluminescence (PL) spectrum with a single photon resolution was set up by traceable quantum sensing and metrology relied up a quantum electrical triangle principle. The coupling of a single bioelectron conducting, a single biophoton photoluminescence, a frequency domain temporal spin phase in nanomedicine crystal-inspired sensing methods and sensor technologies were revealed by a combination of C-AFM and PL measurement data-based mathematic analyses1-3, as depicted in Figure 1 and repeated in nanomedicine crystals with a single atomic height. It is concluded that height-current-phase uncertainty correlation pave a way to develop a brain imaging and a single atomic height standard, quantum sensing, national security, worldwide impact1-3 technology and beyond.

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…

Electrochemical and optical characterization of cobalt, copper and zinc phthalocyanine complexes.

PubMed

Lee, Jaehyun; Kim, Se Hun; Lee, Woosung; Lee, Jiwon; An, Byeong-Kwan; Oh, Se Young; Kim, Jae Pil; Park, Jongwook

2013-06-01

New phthalocyanine (Pc) derivatives that include the alkyl group in ligand were synthesized based on three core metals such as zinc (Zn), copper (Cu), and cobalt (Co). Electrochemical behaviors and optical properties of the new phthalocyanine derivatives with ligand and different core metal were investigated by using cyclic voltammetry, UV-Visible (UV-Vis) spectroscopy and photoluminescence (PL) spectroscopy. In UV-Vis data, maximum values of 2H, Co, Cu, and Zn complexes were 708 nm and 677 nm, 686 nm, 684 nm, respectively.

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.

The importance of ultraviolet and near-infrared sensitivity for visual discrimination in two species of lacertid lizards.

PubMed

Martin, Mélissa; Le Galliard, Jean-François; Meylan, Sandrine; Loew, Ellis R

2015-02-01

Male and female Lacertid lizards often display conspicuous coloration that is involved in intraspecific communication. However, visual systems of Lacertidae have rarely been studied and the spectral sensitivity of their retinal photoreceptors remains unknown. Here, we characterise the spectral sensitivity of two Lacertid species from contrasting habitats: the wall lizard Podarcis muralis and the common lizard Zootoca vivipara. Both species possess a pure-cone retina with one spectral class of double cones and four spectral classes of single cones. The two species differ in the spectral sensitivity of the LWS cones, the relative abundance of UVS single cones (potentially more abundant in Z. vivipara) and the coloration of oil droplets. Wall lizards have pure vitamin A1-based photopigments, whereas common lizards possess mixed vitamin A1 and A2 photopigments, extending spectral sensitivity into the near infrared, which is a rare feature in terrestrial vertebrates. We found that spectral sensitivity in the UV and near infrared improves discrimination of small variations in throat coloration among Z. vivipara. Thus, retinal specialisations optimise chromatic resolution in common lizards, indicating that the visual system and visual signals might co-evolve. © 2015. Published by The Company of Biologists Ltd.

Observations of the diffuse UV radiation field

NASA Technical Reports Server (NTRS)

Murthy, Jayant; Henry, R. C.; Feldman, P. D.; Tennyson, P. D.

1989-01-01

Spectra are presented for the diffuse UV radiation field between 1250 to 3100 A from eight different regions of the sky, which were obtained with the Johns Hopkins UVX experiment. UVX flew aboard the Space Shuttle Columbia (STS-61C) in January 1986 as part of the Get-Away Special project. The experiment consisted of two 1/4 m Ebert-Fastie spectrometers, covering the spectral range 1250 to 1700 A at 17 A resolution and 1600 to 3100 A at 27 A resolution, respectively, with a field of view of 4 x .25 deg, sufficiently small to pick out regions of the sky with no stars in the line of sight. Values were found for the diffuse cosmic background ranging in intensity from 300 to 900 photons/sq cm/sec/sr/A. The cosmic background is spectrally flat from 1250 to 3100 A, within the uncertainties of each spectrometer. The zodiacal light begins to play a significant role in the diffuse radiation field above 2000 A, and its brightness was determined relative to the solar emission. Observed brightnesses of the zodiacal light in the UV remain almost constant with ecliptic latitude, unlike the declining visible brightnesses, possibly indicating that those (smaller) grains responsible for the UV scattering have a much more uniform distribution with distance from the ecliptic plane than do those grains responsible for the visible scattering.

Plasmonically sensitized metal-oxide electron extraction layers for organic solar cells.

PubMed

Trost, S; Becker, T; Zilberberg, K; Behrendt, A; Polywka, A; Heiderhoff, R; Görrn, P; Riedl, T

2015-01-16

ZnO and TiOx are commonly used as electron extraction layers (EELs) in organic solar cells (OSCs). A general phenomenon of OSCs incorporating these metal-oxides is the requirement to illuminate the devices with UV light in order to improve device characteristics. This may cause severe problems if UV to VIS down-conversion is applied or if the UV spectral range (λ < 400 nm) is blocked to achieve an improved device lifetime. In this work, silver nanoparticles (AgNP) are used to plasmonically sensitize metal-oxide based EELs in the vicinity (1-20 nm) of the metal-oxide/organic interface. We evidence that plasmonically sensitized metal-oxide layers facilitate electron extraction and afford well-behaved highly efficient OSCs, even without the typical requirement of UV exposure. It is shown that in the plasmonically sensitized metal-oxides the illumination with visible light lowers the WF due to desorption of previously ionosorbed oxygen, in analogy to the process found in neat metal oxides upon UV exposure, only. As underlying mechanism the transfer of hot holes from the metal to the oxide upon illumination with hν < Eg is verified. The general applicability of this concept to most common metal-oxides (e.g. TiOx and ZnO) in combination with different photoactive organic materials is demonstrated.

Plasmonically sensitized metal-oxide electron extraction layers for organic solar cells

PubMed Central

Trost, S.; Becker, T.; Zilberberg, K.; Behrendt, A.; Polywka, A.; Heiderhoff, R.; Görrn, P.; Riedl, T.

2015-01-01

ZnO and TiOx are commonly used as electron extraction layers (EELs) in organic solar cells (OSCs). A general phenomenon of OSCs incorporating these metal-oxides is the requirement to illuminate the devices with UV light in order to improve device characteristics. This may cause severe problems if UV to VIS down-conversion is applied or if the UV spectral range (λ < 400 nm) is blocked to achieve an improved device lifetime. In this work, silver nanoparticles (AgNP) are used to plasmonically sensitize metal-oxide based EELs in the vicinity (1–20 nm) of the metal-oxide/organic interface. We evidence that plasmonically sensitized metal-oxide layers facilitate electron extraction and afford well-behaved highly efficient OSCs, even without the typical requirement of UV exposure. It is shown that in the plasmonically sensitized metal-oxides the illumination with visible light lowers the WF due to desorption of previously ionosorbed oxygen, in analogy to the process found in neat metal oxides upon UV exposure, only. As underlying mechanism the transfer of hot holes from the metal to the oxide upon illumination with hν < Eg is verified. The general applicability of this concept to most common metal-oxides (e.g. TiOx and ZnO) in combination with different photoactive organic materials is demonstrated. PMID:25592174

HARDI: A high angular resolution deployable interferometer for space

NASA Technical Reports Server (NTRS)

Bely, Pierre Y.; Burrows, Christopher; Roddier, Francois; Weigelt, Gerd

1992-01-01

We describe here a proposed orbiting interferometer covering the UV, visible, and near-IR spectral ranges. With a 6-m baseline and a collecting area equivalent to about a 1.4 m diameter full aperture, this instrument will offer significant improvements in resolution over the Hubble Space Telescope, and complement the new generation of ground-based interferometers with much better limiting magnitude and spectral coverage. On the other hand, it has been designed as a considerably less ambitious project (one launch) than other current proposals. We believe that this concept is feasible given current technological capabilities, yet would serve to prove the concepts necessary for the much larger systems that must eventually be flown. The interferometer is of the Fizeau type. It therefore has a much larger field (for guiding) better UV throughout (only 4 surfaces) than phased arrays. Optimize aperture configurations and ideas for the cophasing and coalignment system are presented. The interferometer would be placed in a geosynchronous or sunsynchronous orbit to minimize thermal and mechanical disturbances and to maximize observing efficiency.

Estimating Leaf Water Status from Vis-Nir Reflectance and Transmittance

NASA Technical Reports Server (NTRS)

Vanderbilt, Vern; Daughtry, Craig; Dahlgren, Robert

2017-01-01

Remotely sensing the water status of plant canopies remains a long term goal of remote sensing research. Established approaches involve measurements in the thermal infrared and the 900-2000nm reflective infrared. Less popular UV-visible-NIR techniques presumably deserve research attention, because photochemical changes linked to plant water status manifest spectral light scattering and absorption changes. Here we monitored the visible and NIR light reflected from the leaf interior as well as the leaf transmittance as the relative water content of corn (Zeamays L.) leaves decreased. Our results highlight the importance of both scattering effects and effects due to absorption by leaf pigments.

Spectral regression and correlation coefficients of some benzaldimines and salicylaldimines in different solvents

NASA Astrophysics Data System (ADS)

Hammud, Hassan H.; Ghannoum, Amer; Masoud, Mamdouh S.

2006-02-01

Sixteen Schiff bases obtained from the condensation of benzaldehyde or salicylaldehyde with various amines (aniline, 4-carboxyaniline, phenylhydrazine, 2,4-dinitrophenylhydrazine, ethylenediamine, hydrazine, o-phenylenediamine and 2,6-pyridinediamine) are studied with UV-vis spectroscopy to observe the effect of solvents, substituents and other structural factors on the spectra. The bands involving different electronic transitions are interpreted. Computerized analysis and multiple regression techniques were applied to calculate the regression and correlation coefficients based on the equation that relates peak position λmax to the solvent parameters that depend on the H-bonding ability, refractive index and dielectric constant of solvents.

Thiourea based novel chromogenic sensor for selective detection of fluoride and cyanide anions in organic and aqueous media.

PubMed

Kumar, Vinod; Kaushik, M P; Srivastava, A K; Pratap, Ajay; Thiruvenkatam, V; Row, T N Guru

2010-03-17

Novel chromogenic thiourea based sensors 4,4'-bis-[3-(4-nitrophenyl) thiourea] diphenyl ether 1 and 4,4'-bis-[3-(4-nitrophenyl) thiourea] diphenyl methane 2 having nitrophenyl group as signaling unit have been synthesized and characterized by spectroscopic techniques and X-ray crystallography. The both sensors show visual detection, UV-vis and NMR spectral changes in presence of fluoride and cyanide anions in organic solvent as well as in aqueous medium. The absorption spectra indicated the formation of complex between host and guest is in 1:2 stoichiometric ratios. Copyright 2010 Elsevier B.V. All rights reserved.

Synthesis and characterization of a new porphyrin-polyoxometalate hybrid material and investigation of its catalytic activity.

PubMed

Araghi, Mehdi; Mirkhani, Valiollah; Moghadam, Majid; Tangestaninejad, Shahram; Mohammdpoor-Baltork, Iraj

2012-03-14

In the present work, the preparation of a new organic-inorganic hybrid material in which tetrakis(p-aminophenylporphyrin) is covalently linked to a Lindqvist structure of polyoxometalate, is reported. This new porphyrin-polyoxometalate hybrid material was characterized by (1)H NMR, FT-IR and UV-Vis spectroscopic methods and cyclic voltammetry. These spectro- and electrochemical studies provided spectral data of the synthesis of this compound. Cyclic voltammetry showed the influence of the porphyrin on the redox process of the polyoxometalate. The catalytic activity of this hybrid material was investigated in the alkene epoxidation with NaIO(4).

Unidirectional growth of benzil crystal from solution by Sankaranarayanan-Ramasamy method and its characterization

NASA Astrophysics Data System (ADS)

Rajalakshmi, M.; Shyju, T. S.; Indirajith, R.; Gopalakrishnan, R.

2012-02-01

Good quality <1 0 0> benzil single crystal with a diameter 18 mm and length 75 mm was successfully grown from solution by the unidirectional growth method of Sankaranarayanan-Ramasamy (SR) for the first time in the literature. The seed crystals have been harvested from conventional solution growth technique and subsequently used for unidirectional growth. The grown crystal was subjected to various characterization studies. The results of UV-vis spectral analysis, photoluminescence, etching and microhardness studies were compared with conventional solution grown crystal to that of SR method grown crystal. The quality of SR method grown benzil crystal is better than conventional solution grown crystal.

CMOS-TDI detector technology for reconnaissance application

NASA Astrophysics Data System (ADS)

Eckardt, Andreas; Reulke, Ralf; Jung, Melanie; Sengebusch, Karsten

2014-10-01

The Institute of Optical Sensor Systems (OS) at the Robotics and Mechatronics Center of the German Aerospace Center (DLR) has more than 30 years of experience with high-resolution imaging technology. This paper shows the institute's scientific results of the leading-edge detector design CMOS in a TDI (Time Delay and Integration) architecture. This project includes the technological design of future high or multi-spectral resolution spaceborne instruments and the possibility of higher integration. DLR OS and the Fraunhofer Institute for Microelectronic Circuits and Systems (IMS) in Duisburg were driving the technology of new detectors and the FPA design for future projects, new manufacturing accuracy and on-chip processing capability in order to keep pace with the ambitious scientific and user requirements. In combination with the engineering research, the current generation of space borne sensor systems is focusing on VIS/NIR high spectral resolution to meet the requirements on earth and planetary observation systems. The combination of large-swath and high-spectral resolution with intelligent synchronization control, fast-readout ADC (analog digital converter) chains and new focal-plane concepts opens the door to new remote-sensing and smart deep-space instruments. The paper gives an overview of the detector development status and verification program at DLR, as well as of new control possibilities for CMOS-TDI detectors in synchronization control mode.

The Spectral Energy Distribution of the Seyfert Galaxy Ton S180

NASA Technical Reports Server (NTRS)

Turner, T. J.; Romano, P.; Kraemer, S. B.; George, I. M.; Yaqoob, T.; Crenshaw, D. M.; Storm, J.; Alloin, D.; Lazzaro, D.; DaSilva, L.;

Investigating Forest Harvest Effects on DOC Concentration and Quality: An In Situ, High Resolution Approach to Quantifying DOC Export Dynamics

NASA Astrophysics Data System (ADS)

Jollymore, A. J.; Johnson, M. S.; Hawthorne, I.

2013-12-01

Justification: Forest harvest effects on water quality can signal alterations in hydrologic and ecologic processes incurred as a result of forest harvest activities. Organic matter (OM), specifically dissolved organic carbon (DOC), plays a number of important roles mediating UV-light penetration, redox reactivity and microbial activity within aquatic ecosystems. Quantification of DOC is typically pursued via grab sampling followed by chemical or spectrophotometric analysis, limiting the temporal resolution obtained as well as the accuracy of export calculations. The advent of field-deployable sensors capable of measuring DOC concentration and certain quality characteristics in situ provides the ability to observe dynamics at temporal scales necessary for accurate calculation of DOC flux, as well as the observation of dynamic changes in DOC quality on timescales impossible to observe through grab sampling. Methods: This study utilizes a field deployable UV-Vis spectrophotometer (spectro::lyzer, s::can, Austria) to investigate how forest harvest affects DOC export. The sensor was installed at an existing hydrologic monitoring site at the outlet of a headwater stream draining a small (91 hectare) second growth Douglasfir-dominated catchment near Campbell River on Vancouver Island, British Columbia. Measurement began late in 2009, prior to forest harvest and associated activities such as road building (which commenced in October 2010 and ended in early 2011), and continues to present. During this time - encompassing the pre, during and post-harvest conditions - the absorbance spectrum of stream water from 200 to 750 nm was measured. DOC concentration and spectroscopic indices related to DOC quality (including SUVA, which relates to the concentration of aromatic carbon, and spectral slope) were subsequently calculated for each spectra obtained at 30-minute intervals. Results and conclusions: High frequency measurements of DOC show that overall export of OM increased in the months following harvest. A major advantage of this study is the use of in situ measurements, allowing for high temporal resolution of DOC dynamics occurring within specific hydrologic events. For example, concentration-discharge relationships for both the pre- and post-logging periods demonstrate similar clockwise hysteresis during individual storm events, while the magnitude of change dramatically increased during the post-logging period. However, in situ measurements of SUVA over this period suggest that DOC quality may be less affected by forest harvest than overall DOC concentration, where high frequency data also allows for the observation of SUVA and spectral slope responses to specific hydrologic events during the pre- and post- harvest period.

UV-B susceptibility and photoreactivation in embryonic development of the two-spotted spider mite, Tetranychus urticae.

PubMed

Yoshioka, Yoshio; Gotoh, Tetsuo; Suzuki, Takeshi

2018-05-14

Developmental errors are often induced in the embryos of many organisms by environmental stress. Ultraviolet-B radiation (UV-B) is one of the most serious environmental stressors in embryonic development. Here, we investigated susceptibility to UV-B (0.5 kJ m -2 ) in embryos of the two-spotted spider mite, Tetranychus urticae, to examine the potential use of UV-B in control of this important agricultural pest worldwide. Peak susceptibility to UV-B (0% hatchability) was found in T. urticae eggs 36-48 h after oviposition at 25 °C, which coincides with the stages of morphogenesis forming the germ band and initial limb primordia. However, hatchability recovered to ~ 80% when eggs irradiated with UV-B were subsequently exposed to visible radiation (VIS) at 10.2 kJ m -2 , driving photoreactivation (the photoenzymatic repair of DNA damage). The recovery effect decreased to 40-70% hatchability, depending on the embryonic developmental stage, when VIS irradiation was delayed for 4 h after the end of exposure to UV-B. Thus UV-B damage to T. urticae embryos is critical, particularly in the early stages of morphogenesis, and photoreactivation functions to mitigate UV-B damage, even in the susceptible stages, but immediate VIS irradiation is needed after exposure to UV-B. These findings suggest that nighttime irradiation with UV-B can effectively kill T. urticae eggs without subsequent photoreactivation and may be useful in the physical control of this species.

Binding properties of food colorant allura red with human serum albumin in vitro.

PubMed

Wang, Langhong; Zhang, Guowen; Wang, Yaping

2014-05-01

Allura red (AR) is a widely used colorant in food industry, but may have a potential security risk. In this study, the properties of interaction between AR and human serum albumin (HSA) in vitro were determined by fluorescence, UV-Vis absorption and circular dichroism (CD) spectroscopy combining with multivariate curve resolution-alternating least squares (MCR-ALS) chemometrics and molecular modeling approaches. An expanded UV-Vis data matrix was resolved by MCR-ALS method, and the concentration profiles and pure spectra for the three reaction components (AR, HSA, and AR-HSA complex) of the system were then successfully obtained to evaluate the progress interaction of AR with HSA. The calculated thermodynamic parameters indicated that hydrogen binding and hydrophobic interactions played major roles in the binding process, and the interaction induced a decrease in the protein surface hydrophobicity. The competitive experiments revealed that AR mainly located in Sudlow's site I of HSA, and this result was further supported by molecular modeling studies. Analysis of CD spectra found that the addition of AR induced the conformational changes of HSA. This study have provided new insight into the mechanism of interaction between AR and HSA.

Protostellar Outflows Mapped with ALMA and Techniques to Include Short Spacings

NASA Astrophysics Data System (ADS)

Plunkett, Adele

2018-01-01

Protostellar outflows are early signs of star formation, yet in cluster environments - common sites of star formation - their role and interaction with surrounding gas are complicated. Protostellar outflows are interesting and complex because they connect protostars (scales 10s au) to the surrounding gas environment (few pc), and their morphology constrains launching and/or accretion modes. A complete outflow study must use observing methods that recover several orders of magnitude of spatial scales, ideally with sub-arcsecond resolution and mapping over a few parsecs. ALMA provides high-resolution observations of outflows, and in some cases outflows have been mapped in clusters. Combining with observations using the Total Power array is possible, but challenging, and a large single dish telescope providing more overlap in uv space is advantageous. In this presentation I show protostellar outflows observed with ALMA using 12m, 7m, and To tal Power arrays. With a new CASA tool TP2VIS we create total power ``visibility'' data and perform joint imaging and deconvolution of interferometry and single dish data. TP2VIS will ultimately provide synergy between ALMA and AtLAST data.

Human retinal imaging using visible-light optical coherence tomography guided by scanning laser ophthalmoscopy

PubMed Central

Yi, Ji; Chen, Siyu; Shu, Xiao; Fawzi, Amani A.; Zhang, Hao F.

2015-01-01

We achieved human retinal imaging using visible-light optical coherence tomography (vis-OCT) guided by an integrated scanning laser ophthalmoscopy (SLO). We adapted a spectral domain OCT configuration and used a supercontinuum laser as the illumating source. The center wavelength was 564 nm and the bandwidth was 115 nm, which provided a 0.97 µm axial resolution measured in air. We characterized the sensitivity to be 86 dB with 226 µW incidence power on the pupil. We also integrated an SLO that shared the same optical path of the vis-OCT sample arm for alignment purposes. We demonstrated the retinal imaging from both systems centered at the fovea and optic nerve head with 20° × 20° and 10° × 10° field of view. We observed similar anatomical structures in vis-OCT and NIR-OCT. The contrast appeared different from vis-OCT to NIR-OCT, including slightly weaker signal from intra-retinal layers, and increased visibility and contrast of anatomical layers in the outer retina. PMID:26504622

Underresolved absorption spectroscopy of OH radicals in flames using broadband UV LEDs

NASA Astrophysics Data System (ADS)

White, Logan; Gamba, Mirko

2018-04-01

A broadband absorption spectroscopy diagnostic based on underresolution of the spectral absorption lines is evaluated for the inference of species mole fraction and temperature in combustion systems from spectral fitting. The approach uses spectrally broadband UV light emitting diodes and leverages low resolution, small form factor spectrometers. Through this combination, the method can be used to develop high precision measurement sensors. The challenges of underresolved spectroscopy are explored and addressed using spectral derivative fitting, which is found to generate measurements with high precision and accuracy. The diagnostic is demonstrated with experimental measurements of gas temperature and OH mole fraction in atmospheric air/methane premixed laminar flat flames. Measurements exhibit high precision, good agreement with 1-D flame simulations, and high repeatability. A newly developed model of uncertainty in underresolved spectroscopy is applied to estimate two-dimensional confidence regions for the measurements. The results of the uncertainty analysis indicate that the errors in the outputs of the spectral fitting procedure are correlated. The implications of the correlation between uncertainties for measurement interpretation are discussed.

Spectral fingerprints of Earth-like planets around FGK stars.

PubMed

Rugheimer, Sarah; Kaltenegger, Lisa; Zsom, Andras; Segura, Antígona; Sasselov, Dimitar

2013-03-01

We present model atmospheres for an Earth-like planet orbiting the entire grid of main sequence FGK stars with effective temperatures ranging from Teff=4250 K to Teff=7000 K in 250 K intervals. We have modeled the remotely detectable spectra of Earth-like planets for clear and cloudy atmospheres at the 1 AU equivalent distance from the VIS to IR (0.4 to 20 μm) to compare detectability of features in different wavelength ranges in accordance with the James Webb Space Telescope and future design concepts to characterize exo-Earths. We have also explored the effect of the stellar UV levels as well as spectral energy distribution on a terrestrial atmosphere, concentrating on detectable atmospheric features that indicate habitability on Earth, namely, H2O, O3, CH4, N2O, and CH3Cl. The increase in UV dominates changes of O3, OH, CH4, N2O, and CH3Cl, whereas the increase in stellar temperature dominates changes in H2O. The overall effect as stellar effective temperatures and corresponding UV increase is a lower surface temperature of the planet due to a bigger part of the stellar flux being reflected at short wavelengths, as well as increased photolysis. Earth-like atmosphere models show more O3 and OH but less stratospheric CH4, N2O, CH3Cl, and tropospheric H2O (but more stratospheric H2O) with increasing effective temperature of main sequence stars. The corresponding detectable spectral features, on the other hand, show different detectability depending on the wavelength observed. We concentrate on directly imaged planets here as a framework to interpret future light curves, direct imaging, and secondary eclipse measurements of atmospheres of terrestrial planets in the habitable zone at varying orbital positions.

Electrochemical and spectroscopic studies of the interaction of proflavine with DNA.

PubMed

Aslanoglu, Mehmet

2006-03-01

The interaction of proflavine with herring sperm DNA has been investigated by cyclic voltammetry and UV-Vis spectroscopy as well as viscosity measurements. Shifts in the peak potentials in cyclic voltammetry, spectral changes in UV absorption titration, an increase in viscosity of DNA and the results of the effect of ionic strength on the binding constant strongly support the intercalation of proflavine into the DNA double helix. The binding constant for the interaction between proflavine and DNA was K = 2.32 (+/- 0.41) x 10(4) M(-1) and the binding site size was 2.07 (+/- 0.1) base pairs, estimated in voltammetric measurements. The value of the binding site size was determined to be closer to that expected for a planar intercalating agent. The standard Gibbs free-energy change is ca. -24.90 kJ/mol at 25 degrees C, indicating the spontaneity of the binding interaction. The binding constant determined by UV absorption measurements was K = 2.20 (+/- 0.48) x 10(4) M(-1), which is very close to the value determined by cyclic voltammetry assuming that the binding equilibrium is static.

Retrieval of Cloud Properties for Partially Cloud-Filled Pixels During CRYSTAL-FACE

NASA Astrophysics Data System (ADS)

Nguyen, L.; Minnis, P.; Smith, W. L.; Khaiyer, M. M.; Heck, P. W.; Sun-Mack, S.; Uttal, T.; Comstock, J.

2003-12-01

Partially cloud-filled pixels can be a significant problem for remote sensing of cloud properties. Generally, the optical depth and effective particle sizes are often too small or too large, respectively, when derived from radiances that are assumed to be overcast but contain radiation from both clear and cloud areas within the satellite imager field of view. This study presents a method for reducing the impact of such partially cloud field pixels by estimating the cloud fraction within each pixel using higher resolution visible (VIS, 0.65mm) imager data. Although the nominal resolution for most channels on the Geostationary Operational Environmental Satellite (GOES) imager and the Moderate Resolution Imaging Spectroradiometer (MODIS) on Terra are 4 and 1 km, respectively, both instruments also take VIS channel data at 1 km and 0.25 km, respectively. Thus, it may be possible to obtain an improved estimate of cloud fraction within the lower resolution pixels by using the information contained in the higher resolution VIS data. GOES and MODIS multi-spectral data, taken during the Cirrus Regional Study of Tropical Anvils and Cirrus Layers - Florida Area Cirrus Experiment (CRYSTAL-FACE), are analyzed with the algorithm used for the Atmospheric Radiation Measurement Program (ARM) and the Clouds and Earth's Radiant Energy System (CERES) to derive cloud amount, temperature, height, phase, effective particle size, optical depth, and water path. Normally, the algorithm assumes that each pixel is either entirely clear or cloudy. In this study, a threshold method is applied to the higher resolution VIS data to estimate the partial cloud fraction within each low-resolution pixel. The cloud properties are then derived from the observed low-resolution radiances using the cloud cover estimate to properly extract the radiances due only to the cloudy part of the scene. This approach is applied to both GOES and MODIS data to estimate the improvement in the retrievals for each resolution. Results are compared with the radar reflectivity techniques employed by the NOAA ETL MMCR and the PARSL 94 GHz radars located at the CRYSTAL-FACE Eastern & Western Ground Sites, respectively. This technique is most likely to yield improvements for low and midlevel layer clouds that have little thermal variability in cloud height.

Photometric Modeling and VIS-IR Albedo Maps of Dione From Cassini-VIMS

NASA Astrophysics Data System (ADS)

Filacchione, G.; Ciarniello, M.; D'Aversa, E.; Capaccioni, F.; Cerroni, P.; Buratti, B. J.; Clark, R. N.; Stephan, K.; Plainaki, C.

2018-03-01

We report about visible and infrared albedo maps and spectral indicators of Dione's surface derived from the complete Visual and Infrared Mapping Spectrometer (VIMS) data set acquired between 2004 and 2017 during the Cassini tour in Saturn's system. Maps are derived by applying a photometric correction necessary to disentangle the intrinsic albedo of the surface from illumination and viewing geometry occurring at the time of the observation. The photometric correction is based on the Shkuratov et al. (2011, https://doi.org/10.1016/j.pss.2011.06.011) method which yields values of the surface equigonal albedo. Dione's surface albedo maps are rendered at five visible (VIS: 0.35, 0.44, 0.55, 0.7, and 0.95 μm) and five infrared (IR: 1.046, 1.540, 1.822, 2.050, and 2.200 μm) wavelengths in cylindrical projection with a 0.5° × 0.5° angular resolution in latitude and longitude, corresponding to a spatial resolution of 4.5 km/bin. Apart from visible and infrared albedo maps, we report about the distribution of the two visible spectral slopes (0.35-0.55 and 0.55-0.95 μm) and water ice 2.050 μm band depth computed after having applied the photometric correction. The derived spectral indicators are employed to trace Dione's composition variability on both global and local scales allowing to study the dichotomy between the bright-leading and dark-trailing hemispheres, the distribution of fresh material on the impact craters and surrounding ejecta, and the resurfacing of the bright material within the chasmata caused by tectonism.

Improving radiation data quality of USDA UV-B monitoring and research program and evaluating UV decomposition in DayCent and its ecological impacts

NASA Astrophysics Data System (ADS)

Chen, Maosi

Solar radiation impacts many aspects of the Earth's atmosphere and biosphere. The total solar radiation impacts the atmospheric temperature profile and the Earth's surface radiative energy budget. The solar visible (VIS) radiation is the energy source of photosynthesis. The solar ultraviolet (UV) radiation impacts plant's physiology, microbial activities, and human and animal health. Recent studies found that solar UV significantly shifts the mass loss and nitrogen patterns of plant litter decomposition in semi-arid and arid ecosystems. The potential mechanisms include the production of labile materials from direct and indirect photolysis of complex organic matters, the facilitation of microbial decomposition with more labile materials, and the UV inhibition of microbes' population. However, the mechanisms behind UV decomposition and its ecological impacts are still uncertain. Accurate and reliable ground solar radiation measurements help us better retrieve the atmosphere composition, validate satellite radiation products, and simulate ecosystem processes. Incorporating the UV decomposition into the DayCent biogeochemical model helps to better understand long-term ecological impacts. Improving the accuracy of UV irradiance data is the goal of the first part of this research and examining the importance of UV radiation in the biogeochemical model DayCent is the goal of the second part of the work. Thus, although the dissertation is separated into two parts, accurate UV irradiance measurement links them in what follows. In part one of this work the accuracy and reliability of the current operational calibration method for the (UV-) Multi-Filter Rotating Shadowband Radiometer (MFRSR), which is used by the U.S. Department of Agriculture UV-B Monitoring and Research Program (UVMRP), is improved. The UVMRP has monitored solar radiation in the 14 narrowband UV and VIS spectral channels at 37 sites across U.S. since 1992. The improvements in the quality of the data result from an improved cloud screening algorithm that utilizes an iterative rejection of cloudy points based on a decreasing tolerance of unstable optical depth behavior when calibration information is unknown. A MODTRAN radiative transfer model simulation showed the new cloud screening algorithm was capable of screening cloudy points while retaining clear-sky points. The comparison results showed that the cloud-free points determined by the new cloud screening algorithm generated significantly (56%) more and unbiased Langley offset voltages (VLOs) for both partly cloudy days and sunny days at two testing sites, Hawaii and Florida. The V¬LOs are proportional to the radiometric sensitivity. The stability of the calibration is also improved by the development of a two-stage reference channel calibration method for collocated UV-MFRSR and MFRSR instruments. Special channels where aerosol is the only contributor to total optical depth (TOD) variation (e.g. 368-nm channel) were selected and the radiative transfer model (MODTRAN) used to calculate direct normal and diffuse horizontal ratios which were used to evaluate the stability of TOD in cloud-free points. The spectral dependence of atmospheric constituents' optical properties and previously calibrated channels were used to find stable TOD points and perform Langley calibration at spectrally adjacent channels. The test of this method on the UV-B program site at Homestead, Florida (FL02) showed that the new method generated more clustered and abundant VLOs at all (UV-) MFRSR channels and potentially improved the accuracy by 2-4% at most channels and over 10% at 300-nm and 305-nm channels. In the second major part of this work, I calibrated the DayCent-UV model with ecosystem variables (e.g. soil water, live biomass), allowed maximum photodecay rate to vary with litter's initial lignin fraction in the model, and validated the optimized model with LIDET observation of remaining carbon and nitrogen at three semi-arid sites. I also explored the ecological impacts of UV decomposition with the optimized DayCent-UV model. The DayCent-UV model showed significant better performance compared to models without UV decomposition in simulating the observed linear carbon loss pattern and the persistent net nitrogen mineralization in the 10-year LIDET experiment at the three sites. The DayCent-UV equilibrium model runs showed that UV decomposition increased aboveground and belowground plant production, surface net nitrogen mineralization, and surface litter nitrogen pool, while decreased surface litter carbon, soil net nitrogen mineralization and mineral soil carbon and nitrogen. In addition, UV decomposition showed minimal impacts (i.e. less than 1% change) on trace gases emission and biotic decomposition rates. Overall, my dissertation provided a comprehensive solution to improve the calibration accuracy and reliability of MFRSR and therefore the quality of radiation products. My dissertation also improved the understanding of UV decomposition and its long-term ecological impacts.

Troc: a proposed tropospheric sounder for chemistry and climate

NASA Astrophysics Data System (ADS)

Camy-Peyret, C.

TROC has been submitted to ESA in the last call for proposals of the Earth Explorer Opportunity Missions and its focus is on tropospheric composition and chemistry-climate interactions. The mission objectives of TROC cover four research subjects. Global tropospheric chemistry: perform global measurements from space of tropospheric composition in order to improve our understanding and to constrain models of tropospheric chemistry with emphasis on tropospheric ozone. Pollution: establish the impact of mega cities of industrialised or developing countries by monitoring their pollution plumes. Biomass burning: monitor the chemical species and aerosols injected in the free troposphere during major burning episodes in the intertropical region as well as by major forest fires at other latitudes. Chemistry-climate interactions: quantify on a global scale the distributions and the sources of greenhouse gases like CO2, CH4, O3, N2O and the CFCs. Contribute to demonstration studies for monitoring from space how Montreal and Kyoto protocols are enforced as far as human impacts on atmospheric chemistry and climate are concerned. To fulfil these objectives, passive remote sensing of the troposphere has been selected as the best compromise between technical maturity and multi-species coverage. The main elements of TROC are a Fourier transform infrared (FTIR) instrument and an ultraviolet-visible (UV-vis) spectrometer, both operating in the downward-looking geometry with a 10 km diameter footprint at nadir. An ``intelligent'' pointing mirror coupled to an infrared imager is used to optimise day/night sounding down to the surface. The FTIR instrument covers at 0.1 cm-1 apodised spectral resolution 3 bands from 14 to 3.3 μ m in thermal emission and one band in solar reflected light around 2.3 μ m. The UV-vis instrument covers the regions 290-490 nm (1 nm resolution) and 520-1030 nm (2.5 nm resolution) with 43 array detectors (2 bands × 2 polarizations) in reflected/backscattered sunlight. The diurnal/nocturnal cycle is sampled with a non-sun synchronous circular orbit of 728 km altitude and 65 inclination. Global coverage between 68N and 68S is ensured by a swath of 800 km (11 pixels) and at least one clear pixel in every 100 km × 100 km area is revisited every 3 days. TROC will provide tropospheric profiles for O3, CO and CH4 (3 independent pieces of information in the troposphere) as well as total and tropospheric columns for NO2, H2CO, SO2, BrO and C2H6 together with height resolved information on tropospheric aerosols. Information on other species (H2O, CO2, N2O, CFCs, OCS, ldots) of importance for climate studies will also be obtained. The scientific/technical aspects and status of this project will be presented.

UV-VIS absorption spectroscopy: Lambert-Beer reloaded

NASA Astrophysics Data System (ADS)

Mäntele, Werner; Deniz, Erhan

2017-02-01

UV-VIS absorption spectroscopy is used in almost every spectroscopy laboratory for routine analysis or research. All spectroscopists rely on the Lambert-Beer Law but many of them are less aware of its limitations. This tutorial discusses typical problems in routine spectroscopy that come along with technical limitations or careless selection of experimental parameters. Simple rules are provided to avoid these problems.

Optical fiber-based on-line UV/Vis spectroscopic monitoring of chemical reaction kinetics under high pressure in a capillary microreactor.

PubMed

Benito-Lopez, Fernando; Verboom, Willem; Kakuta, Masaya; Gardeniers, J Han G E; Egberink, Richard J M; Oosterbroek, Edwin R; van den Berg, Albert; Reinhoudt, David N

2005-06-14

With a miniaturized (3 microL volume) fiber-optics based system for on-line measurement by UV/Vis spectroscopy, the reaction rate constants (at different pressures) and the activation volumes (deltaV(not =)) were determined for a nucleophilic aromatic substitution and an aza Diels-Alder reaction in a capillary microreactor.

Calculation of optical band gaps of a-Si:H thin films by ellipsometry and UV-Vis spectrophotometry

NASA Astrophysics Data System (ADS)

Qiu, Yijiao; Li, Wei; Wu, Maoyang; Fu, Junwei; Jiang, Yadong

2010-10-01

Hydrogenated amorphous silicon (a-Si:H) thin films doped with Phosphorus (P) and Nitrogen (N) were deposited by radio frequency plasma enhanced chemical vapor deposition (RF-PECVD). The optical band gaps of the thin films obtained through either changing the gas pressure (P-doped only) or adulterating nitrogen concentration (with fixed P content) were investigated by means of Ellipsometric and Ultraviolet-Visible (UV-Vis) spectroscopy, respectively. Tauc formula was used in calculating the optical band gaps of the thin films in both methods. The results show that Ellipsometry and UV-Vis spectrophotometry can be applied in the research of the optical properties of a-Si:H thin films experimentally. Both methods reflect the variation law of the optical band gaps caused by CVD process parameters, i.e., the optical band gap of the a-Si:H thin films is increased with the rise of the gas pressure or the nitrogen concentration respectively. The difference in optical band gaps of the doped a-Si:H thin films calculated by Ellipsometry or UV-Vis spectrophotometry are not so great that they both can be used to measure the optical band gaps of the thin films in practical applications.

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.

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.

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.

Spectroscopic study of fluorescent probes based on G-quadruplex oligonucleotides labeled with ethynylpyrenyldeoxyuridine.

PubMed

Switalska, Angelika; Kierzek, Ryszard; Dembska, Anna; Juskowiak, Bernard

2017-12-01

The design, synthesis, and spectral properties of four pyrene labeled oligonucleotide probes with G-quadruplex structure (Tel22-Tpy, Tel22-Upy, Tel22-6Upy, Tel22-18Upy) based on the 22-mer human telomeric sequence (Tel22) have been reported. Pyrene labels in the form of ethynylpyrenyldeoxyuridine have been inserted efficiently into oligodeoxynucleotides probes using phosphoramidite chemistry. The probes exhibited abilities to fold into G-quadruplex structures and to bind metal cations (Na + and K + ). Folding properties of probes and their spectral behavior were examined by recording the UV-vis, fluorescence, and CD spectra as well as by analyzing melting profiles. Fluorescence characteristics and G-quadruplex folding of probes were also studied at the interface of cationic dioctadecyldimethylammonium bromide (DODAB) monolayer. Investigations included film balance measurements (π-A isotherms) and fluorescence spectra recording using a fiber optic accessory interfaced with a spectrofluorimeter. Copyright © 2017 Elsevier B.V. All rights reserved.

Ytterbium-porphyrins as a new class of the luminescent labels

NASA Astrophysics Data System (ADS)

Tsvirko, M.; Korovin, Yu; Rusakova, N.

2007-08-01

New complexes of ytterbium with asymmetric porphyrins containing substituents in β-positions and hydrophobic meso-(monophenyl-p-oxypropyl)triphenylporphyrin (OPP) were obtained and characterized by elemental analysis, IR, UV-Vis absorption and luminescence spectroscopy. Electronic absorption, luminescence and luminescence excitation spectra of these complexes were studied at 295 K in DMF solutions and in the water-lecithin medium. The 4f-luminescence of ytterbium-porphyrins in the near infrared (IR) spectral region (λmax = 980 nm) is observed under excitation in Soret band (400-430 nm). The effect of substituent in porphyrin macroring on the 4f-luminescent properties was also investigated. The conjugates of these compounds with protein molecules - bovine serum albumin (BSA) were investigated as well. These compounds are interesting at the initial stage of diagnostics of tumor tissues as IR-luminescent probes due to their spectral-luminescent characteristics and some biochemical properties.

The electron transport mechanism in ester and its influence on bioactivity in the anticancer drug N-(6-ferrocenyl-2-naphthoyl)-L-alanine-glycine ethyl ester(FNLAGEE)

NASA Astrophysics Data System (ADS)

Sudhi, Geethu; Rajina, S. R.; Praveen, S. G.; Xavier, T. S.; Kenny, Peter T. M.; Binoy, J.

2018-05-01

The reactivity of ester group plays key role in inducing bioactivity of many ferrocenyl biconjugated compounds. The ester reactivity can be explained, based on electron transport mechanism using vibrational spectroscopy, aided by DFT simulation. The FT IR and FT Raman spectral measurements have been carried out for N-(6-ferrocenyl-2-naphthoyl)-L-alanine-glycine ethyl ester (FNLAGEE) and the optimized geometry and vibrational spectra have been computed using DFT method, at B3LYP/LANL2DZ level of theory. The cis conformation of ester and electron transport mechanism, thus analyzed, has been correlated to the geometry and the spectral characteristics of ester. To investigate the bioactivity and binding interactions of the molecule, molecular docking simulations and UV-Vis absorption studies of FNLAGEE with BSA and DNA has been performed.

Study the Characterization of Spectral Absorbance on Irradiated Milk Protein

NASA Astrophysics Data System (ADS)

Fohely, F.; Suardi, N.

2018-04-01

The milk has been adopted as a structural nature food for a long era since it is containing most of the growth factors, protective agents, and enzymes needed for the body. a few attempts have been conducted to treat the dairy products especially raw milk by the means of ionizing radiation. as its production has been an expanding industry for many years due to the high demands from the consumers worldwide, there is still some doubt about preserving these products by irradiation. In this work, a preliminary effort to describe the influences of ionizing radiation on raw milk’s protein will be devoted to measuring the spectral absorbance of the total protein (after subjected to varied radiation doses) by UV-VIS-NIR spectroscopy analysis. The absorbance spectrum then analyzed based on absorbance spectra of organic compounds. A comparison is made between the effects of different radiation doses to estimate the influence in milk’s structure.

Growth of L-Valinium Aluminium Chloride single crystal for OLED and super-capacitor applications

NASA Astrophysics Data System (ADS)

Kalaivani, D.; Vijayalakshmi, S.; Theras, J. Elberin Mary; Jayaraman, D.; Joseph, V.

2015-12-01

L-Valinium Aluminium Chloride (LVAC), a novel semi-organic material, was grown using slow evaporation under isothermal condition. The single crystal data reveal that the grown crystal belongs to monoclinic system. The SEM micrographs give clear picture about the surface morphology. Further, they confirm the inclusion of aluminium chloride into atomic sites of L-Valine. The compositional elements present in the crystal were identified through EDAX analysis. The mass spectral analysis was carried out to determine the molecular weight of the grown crystal. The optical transparency of the grown crystal was investigated by UV-vis-NIR spectrum. FTIR spectral study was used to identify the functional groups present in the grown material. The luminescence characteristics of grown material were analysed to confirm the effect of metal ion on the ligand. This property makes the material suitable for OLED application. The supercapacitive performance of the grown crystal was finally studied using cyclic voltammetry.

Synthesis, spectral characterization and catalytic activity of Co(II) complexes of drugs: crystal structure of Co(II)-trimethoprim complex.

PubMed

Madhupriya, Selvaraj; Elango, Kuppanagounder P

2014-01-24

New Co(II) complexes with drugs such as trimethoprim (TMP), cimetidine (CTD), niacinamide (NAM) and ofloxacin (OFL) as ligands were synthesized. The complexes were characterized by analytical analysis, various spectral techniques such as FT-IR, UV-Vis, magnetic measurements and molar conductivity. The magnetic susceptibility results coupled with the electronic spectra suggested a tetrahedral geometry for the complexes. The coordination mode of trimethoprim ligand and geometry of the complex were confirmed by single crystal X-ray studies. In this complex the metal ion possesses a tetrahedral geometry with two nitrogen atom from two TMP ligands and two chloride ions coordinated to it. The catalytic activity of the complexes in aryl-aryl coupling reaction was screened and the results indicated that among the four complexes [Co(OFL)Cl(H2O)] exhibited excellent catalytic activity. Copyright © 2013 Elsevier B.V. All rights reserved.

Uvmas: Venus Ultraviolet-visual Mapping Spectrometer

NASA Astrophysics Data System (ADS)

Bellucci, G.; Zasova, L.; Altieri, F.; Formisano, V.; Ignatiev, N.; Moroz, V.

We present the concept of an instrument for remote sensing of Venus from a planetary orbiter. The main characteristics of the instrument are the following: A~é· Spectral range: 0.190 A~é­ 0.490 A~éµm A~é· Spectral resolution: 0.4 nm (/= 500 at 0.2 A~éµ m) A~é· Angular resolution: 0.4 mrad at max A~é· Spatial resolution: 200 meters at 500 Km A~é· Field of view = 5.7A~é° A~é· S/N: 70 at 0.2 A~éµ m at 1 sec exp time given albedo = 0.03. The scientific objectives are the following: Dynamic investigation (0.2 5 µm). Mapping facility will allow the tracking of the UV features and will define the velocities in the atmosphere near the cloud top level. Detailed mapping of velocities of UV features at high spatial resolution, their variation with latitude, altitude and local time will advance our knowledge in understanding the puzzles of Venus dynamics like how and what mechanism drives the Venus atmospheric mass from equator to pole against temperature gradient and what is the mechanism supporting the zonal superrotation. What is the polar vortex organization, at what latitudes there is the descending branch of the Hadley cell. SO2 and SO in the range 0.232 µm. In this spectral range the SO2 and SO bands are observed. They present unresolved features with 10 Å width. Vertical profiles of these components may be obtained above the cloud and below the upper cloud boundary. Vertical, horizontal, local time and temporal variation will be obtained. This allows to create a photochemical model of the atmosphere above the clouds, and to understand a mechanism of cloud aerosol formation. "Unknown" UV- absorber, in the range 0.3 5 µm. It absorbs 50 % of the solar energy deposited on Venus. It exists only in the upper clouds. It is not known if it is in gaseous phase or included in the aerosol particles. This absorber is not homogeneously distributed and is responsible for the UV atmospheric contrast from 0.32­0.5 µm; it correlates with SO2 absorption. Many candidates were proposed for the "unknown" absorber. Some of them are sulfur, S2O, 1% solution of FeCl3 in H2SO4. Spectral and mapping facilities will allow to advance the problem.

Assessment of the roles of reactive oxygen species in the UV and visible light photocatalytic degradation of cyanotoxins and water taste and odor compounds using C-TiO2.

PubMed

Fotiou, Theodora; Triantis, Theodoros M; Kaloudis, Triantafyllos; O'Shea, Kevin E; Dionysiou, Dionysios D; Hiskia, Anastasia

2016-03-01

Visible light (VIS) photocatalysis has large potential as a sustainable water treatment process, however the reaction pathways and degradation processes of organic pollutants are not yet clearly defined. The presence of cyanobacteria cause water quality problems since several genera can produce potent cyanotoxins, harmful to human health. In addition, cyanobacteria produce taste and odor compounds, which pose serious aesthetic problems in drinking water. Although photocatalytic degradation of cyanotoxins and taste and odor compounds have been reported under UV-A light in the presence of TiO2, limited studies have been reported on their degradation pathways by VIS photocatalysis of these problematic compounds. The main objectives of this work were to study the VIS photocatalytic degradation process, define the reactive oxygen species (ROS) involved and elucidate the reaction mechanisms. We report carbon doped TiO2 (C-TiO2) under VIS leads to the slow degradation of cyanotoxins, microcystin-LR (MC-LR) and cylindrospermopsin (CYN), while taste and odor compounds, geosmin and 2-methylisoborneol, were not appreciably degraded. Further studies were carried-out employing several specific radical scavengers (potassium bromide, isopropyl alcohol, sodium azide, superoxide dismutase and catalase) and probes (coumarin) to assess the role of different ROS (hydroxyl radical OH, singlet oxygen (1)O2, superoxide radical anion [Formula: see text] ) in the degradation processes. Reaction pathways of MC-LR and CYN were defined through identification and monitoring of intermediates using liquid chromatography tandem mass spectrometry (LC-MS/MS) for VIS in comparison with UV-A photocatalytic treatment. The effects of scavengers and probes on the degradation process under VIS, as well as the differences in product distributions under VIS and UV-A, suggested that the main species in VIS photocatalysis is [Formula: see text] , with OH and (1)O2 playing minor roles in the degradation. Copyright © 2015 Elsevier Ltd. All rights reserved.

Berkeley extreme-ultraviolet airglow rocket spectrometer: BEARS.

PubMed

Cotton, D M; Chakrabarti, S

1992-09-20

We describe the Berkeley extreme-UV airglow rocket spectrometer, which is a payload designed to test several thermospheric remote-sensing concepts by measuring the terrestrial O I far-UV and extreme-UV dayglow and the solar extreme-UV spectrum simultaneously. The instrument consisted of two near-normal Rowland mount spectrometers and a Lyman-alpha photometer. The dayglow spectrometer covered two spectral regions from 980 to 1040 A and from 1300 to 1360 A with 1.5-A resolution. The solar spectrometer had a bandpass of 250-1150 A with an ~ 10-A resolution. All three spectra were accumulated by using a icrochannel-plate-intensified, two-dimensional imaging detector with three separate wedge-and strip anode readouts. The hydrogen Lyman-alpha photometer was included to monitor the solar Lyman-alpha irradiance and geocoronal Lyman-alpha emissions. The instrument was designed, fabricated, and calibrated at the University of California, Berkeley and was successfully launched on 30 September 1988 aboard the first test flight of a four-stage sounding rocket, Black Brant XII.

Online UV-visible spectroscopy and multivariate curve resolution as powerful tool for model-free investigation of laccase-catalysed oxidation.

PubMed

Kandelbauer, A; Kessler, W; Kessler, R W

2008-03-01

The laccase-catalysed transformation of indigo carmine (IC) with and without a redox active mediator was studied using online UV-visible spectroscopy. Deconvolution of the mixture spectra obtained during the reaction was performed on a model-free basis using multivariate curve resolution (MCR). Thereby, the time courses of educts, products, and reaction intermediates involved in the transformation were reconstructed without prior mechanistic assumptions. Furthermore, the spectral signature of a reactive intermediate which could not have been detected by a classical hard-modelling approach was extracted from the chemometric analysis. The findings suggest that the combined use of UV-visible spectroscopy and MCR may lead to unexpectedly deep mechanistic evidence otherwise buried in the experimental data. Thus, although rather an unspecific method, UV-visible spectroscopy can prove useful in the monitoring of chemical reactions when combined with MCR. This offers a wide range of chemists a cheap and readily available, highly sensitive tool for chemical reaction online monitoring.

The 67P nucleus composition and temporal variations observed by the OSIRIS cameras onboard Rosetta

NASA Astrophysics Data System (ADS)

Fornasier, Sonia; Barucci, Maria Antonietta; Feller, Clement; Deshapriya, Prasanna J. D.; Pommerol, Antoine; Lara, Luisa; Oklay, Nilda; A'Hearn, Mike; Davidsson, Bjorn; Perna, Davide; Sierks, Holger

2015-11-01

Since August 2014, the comet 67P/Churyumov-Gerasimenko has been mapped by the NAC and WAC cameras of the OSIRIS imaging system in the 250-1000 nm wavelength range. OSIRIS got the most detailed maps at the highest spatial resolution of a comet nucleus surface. Here we report on the colors and spectrophotometry of the whole 67P nucleus from images acquired since the first Rosetta bound orbits in August 2014 up to the comet perihelion passage. Globally, the nucleus shows a red spectral behavior and it has spectrophotometric properties similar to those of bare cometary nuclei, of primitive D-type asteroids such us Jupiter Trojans, and of the moderately red Transneptunians. No clear absorption bands have been identified yet in the UV-VIS-NIR range, except for a potential absorption centered at 290 nm, possibly due to SO2 ice. The nucleus shows an important phase reddening, with disk-averaged spectral slopes increasing from 11%/(100 nm) to 16%/(100 nm) in the 1.3-54° phase angle range. On the basis of the spectral slope, we identified three different groups of regions, characterized by a low, medium, and high spectral slope, respectively. The three groups are distributed everywhere on the nucleus, with no evident distinction between the two lobes of the comet. The comet southern hemisphere, that has been observed by Rosetta since April 2015, shows a lack of spectrally red regions associated to the absence of wide spread smooth or dust covered terrains. Several local bright and spectrally blue patches have been identified on the nucleus and attributed to exposed water ice on the surface. In particular we observed big (> 1500 m2) bright ice rich areas in the southern hemisphere which completely sublimated in a few weeks. We see evidence of very bright patches in the NUV-blue region close to the morning shadows that are compatible with the presence of frosts/ices. These patches disappear when fully illuminated by the Sun indicating that important processes of sublimation and recondensation of volatiles are taking place on the nucleus.

X-ray diffraction, FTIR, UV-VIS and SEM studies on chromium (III) complexes

NASA Astrophysics Data System (ADS)

Mishra, Ashutosh; Dwivedi, Jagrati; Shukla, Kritika

2015-06-01

Five Chromium (III) complexes have been prepared using Schiff base ligands which derived from benzoin and five different amino acids (H2N-R). Samples were characterized by XRD, FTIR, UV-VIS and SEM method. X-Ray diffraction pattern analyzed that all chromium (III) complexes have hexagonal structure and crystalline, in nature, using Bruker D8 Advance instrument. Using VERTAX 70, FTIR spectroscopy reveals that Samples have (C=N), (C-O), (M-N) and (M-O) bonds in the range of 4000-400cm-1. UV-VIS spectroscopy give information that samples absorb the visible light which is in the range of 380-780nm. For this, Lambda 960 spectrometer used. SEM is designed for studying of the solid objects, using JEOL JSM 5600 instrument.

UV-Vis Action Spectroscopy Reveals a Conformational Collapse in Hydrogen-Rich Dinucleotide Cation Radicals.

PubMed

Korn, Joseph A; Urban, Jan; Dang, Andy; Nguyen, Huong T H; Tureček, František

2017-09-07

We report the generation of deoxyriboadenosine dinucleotide cation radicals by gas-phase electron transfer to dinucleotide dications and their noncovalent complexes with crown ether ligands. Stable dinucleotide cation radicals of a novel hydrogen-rich type were generated and characterized by tandem mass spectrometry and UV-vis photodissociation (UVPD) action spectroscopy. Electron structure theory analysis indicated that upon electron attachment the dinucleotide dications underwent a conformational collapse followed by intramolecular proton migrations between the nucleobases to give species whose calculated UV-vis absorption spectra matched the UVPD action spectra. Hydrogen-rich cation radicals generated from chimeric riboadenosine 5'-diesters gave UVPD action spectra that pointed to novel zwitterionic structures consisting of aromatic π-electron anion radicals intercalated between stacked positively charged adenine rings. Analogies with DNA ionization are discussed.

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.

imVisIR - a new tool for high resolution soil characterisation

NASA Astrophysics Data System (ADS)

Steffens, Markus; Buddenbaum, Henning

2014-05-01

The physical and chemical heterogeneities of soils are the source of a vast functional diversity of soil properties in a multitude of spatial domains. But many studies do not consider the spatial variability of soil types, diagnostic horizons and properties. These lateral and vertical heterogeneities of soils or soil horizons are mostly neglected due to the limitations in the available soil data and missing techniques to gather the information. We present an imaging technique that enables the spatially accurate, high resolution assessment (63×63 µm2 per pixel) of complete soil profiles consisting of mineral and organic horizons. We used a stainless steel box (100×100×300 mm3) to sample various soil types and a hyperspectral camera to record the bidirectional reflectance of the large undisturbed soil samples in the visible and near infrared (Vis-NIR) part of the electromagnetic spectrum (400-1000 nm in 160 spectral bands). Various statistical, geostatistical and image processing tools were used to 1) assess the spatial variability of the soil profile as a whole; 2) classify diagnostic horizons; 3) extrapolate elemental concentrations of small sampling areas to the complete image and calculate high resolution chemometric maps of up to five elements (C, N, Al, Fe, Mn); and 4) derive maps of the chemical composition of soil organic matter. Imaging Vis-NIR (imVisIR) has the potential to significantly improve soil classification, assessment of elemental budgets and balances and the understanding of soil forming processes and mechanisms. It will help to identify areas of interest for techniques working on smaller scales and enable the upscaling and referencing of this information to the complete pedon.

Hydrothermal synthesis of tungsten doped tin dioxide nanocrystals

NASA Astrophysics Data System (ADS)

Zhou, Cailong; Li, Yufeng; Chen, Yiwen; Lin, Jing

2018-01-01

Tungsten doped tin dioxide (WTO) nanocrystals were synthesized through a one-step hydrothermal method. The structure, composition and morphology of WTO nanocrystals were characterized by x-ray diffraction, x-ray photoelectron spectroscopy, energy dispersive x-ray spectroscopy, UV-vis diffuse reflectance spectra, zeta potential analysis and high-resolution transmission electron microscopy. Results show that the as-prepared WTO nanocrystals were rutile-type structure with the size near 13 nm. Compared with the undoped tin dioxide nanocrystals, the WTO nanocrystals possessed better dispersity in ethanol phase and formed transparent sol.

The Apollo 16 Mare Component: Petrography, Geochemistry, and Provenance

NASA Technical Reports Server (NTRS)

Zeigler, R. A.; Haskin, L. A.; Korotev, R. L.; Jolliff, B. L.; Gillis, J. J.

2003-01-01

The A16 (Apollo16) site in the lunar nearside highlands is 220 km from the nearest mare. Thus it is no surprise that mare basalt samples are uncommon at the site. Here, we present the petrography and geochemistry of 5 new mare basalt samples found at the A16 site. We also discuss possible provenances of all A16 mare basalt samples using high-resolution global data for the distribution of Fe and Ti on the lunar surface derived from Clementine UV-VIS data [1-2].

Spectral transmission of the human crystalline lens in adult and elderly persons: color and total transmission of visible light.

PubMed

Artigas, Jose M; Felipe, Adelina; Navea, Amparo; Fandiño, Adriana; Artigas, Cristina

2012-06-26

To experimentally measure the spectral transmission of human crystalline lenses belonging to adult and elderly persons, and to determine the color and total transmission of visible light of such crystalline lenses. The spectral transmission curve of 32 human crystalline lenses was measured using a PerkinElmer 800UV/VIS spectrometer. Total transmission of visible light and the chromatic coordinates of these crystalline lenses were determined from these curves for solar illumination. The crystalline lens that filters UV and its transmission in the visible spectrum decreases with age; such a decrease is greater for short wavelengths. The total transmission of visible light decreases, especially after the age of 70 years, and the crystalline color becomes yellower and saturated. The great variability existing in the spectral transmission of the human crystalline lens is lesser between the ages of 40 and 59 years, but greater from the age of 60 and older. The decrement in transmittance between these two age groups varies from 40% for 420 nm to 18% for 580 nm. Nevertheless, it is proven that age is not the only parameter affecting crystalline transmission. In the range of 40 to 59 years, age does not bear an influence on total transmission of light, but from 60 years and older it does. Moreover, the light transmitted decreases with age. This total transmission of light is similar to or lower than the amount that the different intraocular lenses transmit, even with a yellow or orange filter. The color of the human lens becomes yellowish and saturated with age.

Spectral Signature of Radiative Forcing by East Asian Dust-Soot Mixture

NASA Astrophysics Data System (ADS)

Zhu, A.; Ramanathan, V.

2007-12-01

The Pacific Dust Experiment (PACDEX) provides the first detailed sampling of dust-soot mixtures from the western Pacific to the eastern Pacific Ocean. The data includes down and up spectral irradiance, mixing state of dust and soot, and other aerosol properties. This study attempts to simulate the radiative forcing by dust-soot mixtures during the experimental period. The MODTRAN band model was employed to investigate the spectral signatures of solar irradiance change induced by aerosols at moderate spectral resolutions. For the short wave band (300-1100nm) used in this study, the reduction of downward irradiance at surface by aerosols greatly enhances with increasing wavelength in the UV band (300-400nm), reaches a maximum in the blue band, then gradually decreases toward the red band. In the near-IR band (700-1100nm), irradiance reduction by aerosols shows great fluctuations in the band with center wavelength at around 940nm, 820nm, 720nm, 760nm, 690nm, where the aerosol effect is overwhelmed by the water vapor and O2 absorptions. The spectral pattern of irradiance reduction varies for different aerosol species. The maximum reduction lies at around 450nm for soot, and shifting to about 490nm for East Asian mineral dust. It's worth noting that although soot aerosols reduce more irradiance than East Asian dust in the UV and blue band, the impact of dust to the irradiance exceeds that by soot at the longer wavelength band (i.e. around 550nm). The reduction of irradiance by East Asian dust (soot) in the UV band, visible band, and near-IR accounts for about 6% (10%), 56% (64%), and 38% (26%) of total irradiance reduction. As large amount of soot aerosols are involved during the long range transport of East Asian dust, the optical properties of dust aerosols are modified with different mixing state with soot, the spectral pattern of the irradiance reduction will be changed. The study of aerosol forcing at moderate spectral resolutions has the potential application for research on aerosol mixing state and its climate impacts.

Teaching an Old Client New Tricks - the GloVIS Global Visualization Viewer after 14 Years

NASA Astrophysics Data System (ADS)

Meyer, D. J.; Steinwand, D.; Lemig, K.; Davis, B.; Werpy, J.; Quenzer, R.

2014-12-01

The US Geological Survey's Global Visualization Viewer (GloVIS) is a web-based, visual search and discovery tool used to access imagery from aircraft and space-based imaging systems. GloVIS was introduced shortly after the launch of Landsat 7 to provide a visual client to select images squired by the Enhanced Thematic Mapper Plus. Since then, it has been expanded to search on other Landsat imagery (Multi-spectral Scanner, Thematic Mapper, Operational Land Imager), imagery from a variety of NASA instruments (Moderate Resolution Imaging Spectroradiometer, Advanced Spaceborne Thermal Emissions and Reflection Radiometer, Advanced Land Imager, Hyperion), along with images from high-resolution airborne photography and special collections representing decades-long observations. GloVIS incorporated a number of features considered novel at its original release, such as rapid visual browse, and the ability to use one type of satellite observation (e.g., vegetation seasonality curves derived from the Advanced Very High Resolution Radiometer) to assist in the selection of another (e.g., Landsat). After 14 years, the GloVIS client has gained a large following, having served millions of images to hundreds of thousands of users, but is due for a major re-design. Described here are a set of guiding principles driving the re-design, the methodology used to understand how users discover and retrieve imagery, and candidate technologies to be leveraged in the re-design. The guiding principles include (1) visual co-discovery - the ability to browse and select imagery from diverse sources simultaneously; (2) user-centric design - understanding user needs prior to design and involving users throughout the design process; (3) adaptability - the use of flexible design to permit rapid incorporation of new capabilities, and (4) interoperability - the use of services, conventions and protocols to permit interaction with external sources of Earth science imagery.

Emirates eXploration Imager (EXI) Overview from the Emirates Mars Mission

NASA Astrophysics Data System (ADS)

AlShamsi, Maryam; Wolff, Michael; Khoory, Mohammad; AlMheiri, Suhail; Jones, Andrew; Drake, Ginger; Osterloo, Mikki; Reed, Heather

2017-04-01

The Emirates eXploration Imager (EXI) instrument is one of three scientific instruments abroad the Emirate Mars Mission (EMM) spacecraft, "Hope". The planned launch window opens in the summer of 2020, with the goal of this United Arab Emirates (UAE) mission to explore the dynamics of the Martian atmosphere through global spatial sampling which includes both diurnal and seasonal timescales. A particular focus of the mission is the improvement of our understanding of the global circulation in the lower atmosphere and the connections to the upward transport of energy of the escaping atmospheric particles from the upper atmosphere. This will be accomplished using three unique and complementary scientific instruments. The subject of this presentation, EXI, is a multi-band camera capable of taking 12 megapixel images, which translates to a spatial resolution of better than 8 km with a well calibrated radiometric performance. EXI uses a selector wheel mechanism consisting of 6 discrete bandpass filters to sample the optical spectral region: 3 UV bands and 3 visible (RGB) bands. Atmospheric characterization will involve the retrieval of the ice optical depth using the 300-340 nm band, the dust optical depth in the 205-235nm range, and the column abundance of ozone with a band covering 245-275 nm. Radiometric fidelity is optimized while simplifying the optical design by separating the UV and VIS optical paths. The instrument is being developed jointly by the Laboratory for Atmospheric and Space Physics (LASP), University of California, Boulder, USA, and Mohammed Bin Rashid Space Centre (MBRSC), Dubai, UAE.

Probing organic residues on Martian regolith simulants using a long-wave infrared Laser-induced breakdown spectroscopy linear array detection system

NASA Astrophysics Data System (ADS)

Prasad, Narasimha S.; Yang, Clayton S.-C.; Jin, Feng; Jia, Ken; Brown, EiEi; Hömmerich, Uwe; Jia, Yingqing; Trivedi, Sudhir; Wijewarnasuriya, Priyalal; Decuir, Eric; Samuels, Alan C.

2016-09-01

Recently, a mercury-cadmium-telluride (MCT) linear array detection system that is capable of rapidly capturing ( 1-5 second) a broad spectrum of atomic and molecular laser-induced breakdown spectroscopy (LIBS) emissions in the longwave infrarμed region (LWIR, 5.6 to 10 μm) has been developed. Similar to the conventional Ultraviolet (UV)-Visible (Vis) LIBS, a broad band emission spectrum of condensed phase samples covering the entire 5.6 to 10 μm region can be acquired from just a single laser-induced micro-plasma or averaging a few single laser-induced micro-plasmas. This setup has enabled probing samples "as is" without the need for extensive sample preparation and also offers the possibility of a simultaneous UV-Vis and LWIR LIBS measurement. A Martian regolith simulant (JSC Mars-1A) was studied with this novel Vis + LWIR LIBS array system. A broad SiO2 vibrational emission feature around 9.5 μm and multiple strong emission features between 6.5 to 8 μm can be clearly identified. The 6.5 to 8 μm features are possibly from biological impurities of the simulant. JSC Mars-1A samples with organic methyl salicylate (MeS, wintergreen oil) and Dimethyl methyl-phosphonate (DMMP) residues were also probed using the LWIR LIBS array system. Both molecular spectral signature around 6.5 μm and 9.5 μm of Martian regolith simulant and MeS and DMMP molecular signature emissions, such as Aromatic CC stretching band at 7.5 μm, C-CH3O asymmetric deformation at 7.6 μm, and P=O stretching band at 7.9 μm, are clearly observed from the LIBS emission spectra in the LWIR region.

Standardization of UV LED measurements

NASA Astrophysics Data System (ADS)

Eppeldauer, G. P.; Larason, T. C.; Yoon, H. W.

2015-09-01

Traditionally used source spectral-distribution or detector spectral-response based standards cannot be applied for accurate UV LED measurements. Since the CIE standardized rectangular-shape spectral response function for UV measurements cannot be realized with small spectral mismatch when using filtered detectors, the UV measurement errors can be several times ten percent or larger. The UV LEDs produce broadband radiation and both their peaks or spectral bandwidths can change significantly. The detectors used for the measurement of these LEDs also have different spectral bandwidths. In the discussed example, where LEDs with 365 nm peak are applied for fluorescent crack-recognition using liquid penetrant (non-destructive) inspection, the broadband radiometric LED (signal) measurement procedure is standardized. A UV LED irradiance-source was calibrated against an FEL lamp standard to determine its spectral irradiance. The spectral irradiance responsivity of a reference UV meter was also calibrated. The output signal of the reference UV meter was calculated from the spectral irradiance of the UV source and the spectral irradiance responsivity of the reference UV meter. From the output signal, both the integrated irradiance (in the reference plane of the reference meter) and the integrated responsivity of the reference meter were determined. Test UV meters calibrated for integrated responsivity against the reference UV meter, can be used to determine the integrated irradiance from a field UV source. The obtained 5 % (k=2) measurement uncertainty can be decreased when meters with spectral response close to a constant value are selected.

Galactic Astronomy in the Ultraviolet

NASA Astrophysics Data System (ADS)

Rastorguev, A. S.; Sachkov, M. E.; Zabolotskikh, M. V.

2017-12-01

We propose a number of prospective observational programs for the ultraviolet space observatory WSO-UV, which seem to be of great importance to modern galactic astronomy. The programs include the search for binary Cepheids; the search and detailed photometric study and the analysis of radial distribution of UV-bright stars in globular clusters ("blue stragglers", blue horizontal-branch stars, RR Lyrae variables, white dwarfs, and stars with UV excesses); the investigation of stellar content and kinematics of young open clusters and associations; the study of spectral energy distribution in hot stars, including calculation of the extinction curves in the UV, optical and NIR; and accurate definition of the relations between the UV-colors and effective temperature. The high angular resolution of the observatory allows accurate astrometric measurements of stellar proper motions and their kinematic analysis.

Synthesis, spectroscopic characterization, DNA interaction and biological activities of Mn(II), Co(II), Ni(II) and Cu(II) complexes with [(1H-1,2,4-triazole-3-ylimino)methyl]naphthalene-2-ol

NASA Astrophysics Data System (ADS)

Gaber, Mohamed; El-Wakiel, Nadia A.; El-Ghamry, Hoda; Fathalla, Shaimaa K.

2014-11-01

Manganese(II), cobalt(II), nickel(II) and copper(II) complexes of [(1H-1,2,4-triazole-3-ylimino)methyl]naphthalene-2-ol have been synthesized. The structure of complexes have been characterized by elemental analysis, molar conductance, magnetic moment measurements and spectral (IR, 1H NMR, EI-mass, UV-Vis and ESR), and thermal studies. The results showed that the chloro and nitrato Cu(II) complexes have octahedral geometry while Ni(II), Co(II) and Mn(II) complexes in addition to acetato Cu(II) complex have tetrahedral geometry. The possible structures of the metal complexes have been computed using the molecular mechanic calculations using the hyper chem. 8.03 molecular modeling program to confirm the proposed structures. The kinetic and thermodynamic parameters of the thermal decomposition steps were calculated from the TG curves. The binding modes of the complexes with DNA have been investigated by UV-Vis absorption titration. The results showed that the mode of binding of the complexes to DNA is intercalative or non-intercalative binding modes. Schiff base and its metal complexes have been screened for their in vitro antimicrobial activities against Gram positive bacteria (Staphylococcus aureus), Gram negative bacteria (Escherichia coli and Pesudomonas aeruginosa), fungi (Asperigllus flavus and Mucer) and yeast (Candida albicans and Malassezia furfur).

Synthesis, spectroscopic, molecular structure, antioxidant, antimicrobial and antitumor behavior of Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes of O2N type tridentate chromone-2-carboxaldehyde Schiff's base ligand

NASA Astrophysics Data System (ADS)

Ammar, Reda A.; Alaghaz, Abdel-Nasser M. A.; Zayed, Mohamed E.; Al-Bedair, Lamia A.

2017-08-01

Tridentate Schiff's base (HL) ligand was synthesized via condensation of salicylaldehyde and 3-hydroxypyridin-2-yliminomethyl-4H-chromen-4-one and their corresponding Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes have been synthesized. The isolated solid complexes were characterized by elemental analyses, molar conductance, spectral (IR, UV-Vis, 1H NMR), magnetic moment, EPR, and thermal measurements. The IR spectra showed that HL was coordinated to the metal ions in tridentate manner with O2N donor sites of the azomethine N, deprotonated phenolic-OH and carbonyl-O. The activation of thermodynamic parameters are calculated using Coast-Redfern and Horowitz-Metzger (HM). The octahedral geometry of the complexes is confirmed using DFT method from DMOL3 calculations, UV-Vis and magnetic moment measurements, ESR and ligand field parameters. Antioxidant activities have also been performed for all the compounds. The investigated ligand and metal complexes were screened for their in-vitro antimicrobial activities against different types of fungal and bacterial strains. The resulting data assert on the inspected compounds as a highly promising bactericides and fungicides. The antitumor activities of all inspected compounds were evaluated towards human liver Carcinoma (HepG2) cell line.

The operational cloud retrieval algorithms from TROPOMI on board Sentinel-5 Precursor

NASA Astrophysics Data System (ADS)

Loyola, Diego G.; Gimeno García, Sebastián; Lutz, Ronny; Argyrouli, Athina; Romahn, Fabian; Spurr, Robert J. D.; Pedergnana, Mattia; Doicu, Adrian; Molina García, Víctor; Schüssler, Olena

2018-01-01

This paper presents the operational cloud retrieval algorithms for the TROPOspheric Monitoring Instrument (TROPOMI) on board the European Space Agency Sentinel-5 Precursor (S5P) mission scheduled for launch in 2017. Two algorithms working in tandem are used for retrieving cloud properties: OCRA (Optical Cloud Recognition Algorithm) and ROCINN (Retrieval of Cloud Information using Neural Networks). OCRA retrieves the cloud fraction using TROPOMI measurements in the ultraviolet (UV) and visible (VIS) spectral regions, and ROCINN retrieves the cloud top height (pressure) and optical thickness (albedo) using TROPOMI measurements in and around the oxygen A-band in the near infrared (NIR). Cloud parameters from TROPOMI/S5P will be used not only for enhancing the accuracy of trace gas retrievals but also for extending the satellite data record of cloud information derived from oxygen A-band measurements, a record initiated with the Global Ozone Monitoring Experiment (GOME) on board the second European Remote-Sensing Satellite (ERS-2) over 20 years ago. The OCRA and ROCINN algorithms are integrated in the S5P operational processor UPAS (Universal Processor for UV/VIS/NIR Atmospheric Spectrometers), and we present here UPAS cloud results using the Ozone Monitoring Instrument (OMI) and GOME-2 measurements. In addition, we examine anticipated challenges for the TROPOMI/S5P cloud retrieval algorithms, and we discuss the future validation needs for OCRA and ROCINN.

Synthesis of novel anthraquinones: Molecular structure, molecular chemical reactivity descriptors and interactions with DNA as antibiotic and anti-cancer drugs

NASA Astrophysics Data System (ADS)

Al-Otaibi, Jamelah S.; EL Gogary, Tarek M.

2017-02-01

Anthraquinones are well-known anticancer drugs. Anthraquinones anticancer drugs carry out their cytotoxic activities through their interaction with DNA, and inhibition of topoisomerase II activity. Anthraquinones (AQ5 and AQ5H) were synthesized and studied with 1,5-DAAQ by computational and experimental tools. The purpose of this study is to shade more light on mechanism of interaction between anthraquinone DNA affinic agents and different types of DNA. This study will lead to gain of information useful for drug design and development. Molecular structures were optimized using DFT B3LYP/6-31 + G(d). Depending on intramolecular hydrogen bonding interactions four conformers of AQ5 were detected within the range of about 42 kcal/mol. Molecular reactivity of the anthraquinone compounds was explored using global and condensed descriptors (electrophilicity and Fukui functions). NMR and UV-VIS electronic absorption spectra of anthraquinones/DNA were investigated at the physiological pH. The interaction of the anthraquinones (AQ5 and AQ5H) were studied with different DNA namely, calf thymus DNA, (Poly[dA].Poly[dT]) and (Poly[dG].Poly[dC]). UV-VIS electronic absorption spectral data were employed to measure the affinity constants of drug/DNA binding using Scatchard analysis. NMR study confirms qualitatively the drug/DNA interaction in terms of peak shift and broadening.

Nanostructured pyronin Y thin films as a new organic semiconductor: Linear/nonlinear optics, band gap and dielectric properties

NASA Astrophysics Data System (ADS)

Zahran, H. Y.; Yahia, I. S.; Alamri, F. H.

2017-05-01

Pyronin Y dye (PY) is a kind of xanthene derivatives. Thin films of pyronin Y were deposited onto highly cleaned glass substrates using low-cost/spin coating technique. The structure properties of pyronin Y thin films with different thicknesses were investigated by using X-ray diffraction (XRD) and atomic force microscope (AFM). PY thin films for all the studied thicknesses have an amorphous structure supporting the short range order of the grain size. AFM supports the nanostructure with spherical/clusters morphologies of the investigated thin films. The optical constants of pyronin Y thin films for various thicknesses were studied by using UV-vis-NIR spectrophotometer in the wavelength range 350-2500 nm. The transmittance T(λ), reflectance R(λ) spectral and absorbance (abs(λ)) were obtained for all film thicknesses at room temperature and the normal light incident. These films showed a high transmittance in the wide scale wavelengths. For different thicknesses of the studied thin films, the optical band gaps were determined and their values around 2 eV. Real and imaginary dielectric constants, dissipation factor and the nonlinear optical parameters were calculated in the wavelengths to the range 300-2500 nm. The pyronin Y is a new organic semiconductor with a good optical absorption in UV-vis regions and it is suitable for nonlinear optical applications.

Design, synthesis, characterization and cation sensing behavior of amino-naphthoquinone receptor: Selective colorimetric sensing of Cu(II) ion in nearly aqueous solution with mimicking logic gate operation

NASA Astrophysics Data System (ADS)

Parthiban, C.; Elango, Kuppanagounder P.

2017-03-01

An amino-naphthoquione receptor (R1) has been rationally designed, synthesized and characterized using 1H and 13C NMR, LCMS and single crystal X-ray diffraction studies. The receptor exhibits an instantaneous colour change from yellow to blue selectively with Cu(II) ions in water-DMF (98:2% v/v) medium. The results of UV-Vis and fluorescence spectral studies indicates that the mechanism of sensing involves formation of a 1:1 complex between R1 and Cu(II) ion. The proposed mechanism has been confirmed through product analysis using FT-IR, UV-Vis, EPR and HRMS studies in addition to magnetic moment and elemental analysis measurements. The formed [Cu(R1)Cl2] possess a square planar geometry. The binding constant for the interaction of Cu(II) ion with the present unsubstituted quinone is found to be relatively higher than that with quinones containing electron withdrawing chlorine atom and electron releasing methyl group reported in literature. The detection limit of Cu(II) ion in aqueous solution by R1 is observed to be 8.7 nM. The detection of Cu(II) ion by R1 in aqueous solution produces remarkable changes in the electronic and fluorescence spectra, which is applied to construct logic gate at molecular level.

Redox doping behaviour of poly(3,4-ethylenedithiothiophene) - The counterion effect

NASA Astrophysics Data System (ADS)

Domagala, Wojciech; Palutkiewicz, Dawid; Cortizo-Lacalle, Diego; Kanibolotsky, Alexander L.; Skabara, Peter J.

2011-07-01

Poly(3,4-ethylenedithiothiophene) - PEDTT, an alkylene sulphur derivative of PEDOT, presents itself as an interesting polymer with a number of disparate redox and chromic properties compared to its close analogue - PEDOT. In this study we present the results of an investigation into the electrochemical doping process of PEDTT, using four different electrolyte solutions, differing in anion content of the chosen salt. The results show that the anion identity plays a key role in the redox reactions accompanying these processes in what could be interpreted as anion ionochromism. In situ UV-Vis spectroelectrochemical experiments reveal an intriguing double electrochromic transition of PEDTT films during their oxidative doping, going from golden-yellow through green to pomegranate - a quality not so common within the family of electroactive conjugated polymers. The evolution of each UV-Vis spectrum over a potential range indicates that different redox states of the polymer are responsible for the chromatic changes. In the reduction half-cycle, the dedoping process of PEDTT appears to follow a path dissimilar to the p-doping one, featuring only one, direct electrochromic transition of the film's colour, bypassing the green state, and a distinct two-step bleaching process of doping-induced charge carrier bands. The observed electrochemical and spectral phenomena have been accredited to the specific redox behaviour of doping-induced radical cation and cationic defect states interacting with the dithioalkylene sulphur atom.

Standardization of Broadband UV Measurements for 365 nm LED Sources

PubMed Central

Eppeldauer, George P.

2012-01-01

Broadband UV measurements are evaluated when UV-A irradiance meters measure optical radiation from 365 nm UV sources. The CIE standardized rectangular-shape UV-A function can be realized only with large spectral mismatch errors. The spectral power-distribution of the 365 nm excitation source is not standardized. Accordingly, the readings made with different types of UV meters, even if they measure the same UV source, can be very different. Available UV detectors and UV meters were measured and evaluated for spectral responsivity. The spectral product of the source-distribution and the meter’s spectral-responsivity were calculated for different combinations to estimate broad-band signal-measurement errors. Standardization of both the UV source-distribution and the meter spectral-responsivity is recommended here to perform uniform broad-band measurements with low uncertainty. It is shown what spectral responsivity function(s) is needed for new and existing UV irradiance meters to perform low-uncertainty broadband 365 nm measurements. PMID:26900516

LC-MS of Metmyoglobin at pH = 2: Separation and Characterization of Apomyoglobin and Heme by ESI-MS and UV-Vis

ERIC Educational Resources Information Center

Stynes, Helen Cleary; Layo, Araceli; Smith, Richard W.

2004-01-01

The protein species of apomyoglobin (apoMb) and heme are freed and segregated from the aqueous protein solution of metmyoglobin by liquid chromatography, and are distinguished by UV-Vis absorption or electrospray ionization mass spectrometry (ESI-MS). This is an ingenious and effective approach to characterize apomyoglobin and heme, while students…

Real-time activity monitoring of New Delhi metallo-β-lactamase-1 in living bacterial cells by UV-Vis spectroscopy.

PubMed

Yang, Ke-Wu; Zhou, Yajun; Ge, Ying; Zhang, Yuejuan

2017-07-13

We report an UV-Vis method for monitoring the hydrolysis of the β-lactam antibiotics inside living bacterial cells. Cell-based studies demonstrated that the hydrolysis of cefazolin was inhibited by three known NDM-1 inhibitors. This approach can be applied to the monitoring of reactions in a complex biological system, for instance in medical testing.

Combined VIS-IR spectrometer with vertical probe beam

NASA Astrophysics Data System (ADS)

Protopopov, V.

2017-12-01

A prototype of a combined visible-infrared spectrometer with a vertical probe beam is designed and tested. The combined spectral range is 0.4-20 μ with spatial resolution 1 mm. Basic features include the ability to measure both visibly transparent and opaque substances, as well as buried structures, such as in semiconductor industry; horizontal orientation of a sample, including semiconductor wafers; and reflection mode of operation, delivering twice the sensitivity compared to the transmission mode.

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.

Comparison of carrier transport mechanism under UV/Vis illumination in an AZO photodetector and an AZO/p-Si heterojunction photodiode produced by spray pyrolysis

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

Shasti, M.; Mortezaali, A., E-mail: mortezaali@alzahra.ac.ir; Dariani, R. S.

2015-01-14

In this study, Aluminum doped Zinc Oxide (AZO) layer is deposited on p-type silicon (p-Si) by spray pyrolysis method to fabricate ultraviolet-visible (UV/Vis) photodetector as Al doping process can have positive effect on the photodetector performance. Morphology, crystalline structure, and Al concentration of AZO layer are investigated by SEM, XRD, and EDX. The goal of this study is to analyze the mechanism of carrier transport by means of current-voltage characteristics under UV/Vis illumination in two cases: (a) electrodes connected to the surface of AZO layer and (b) electrodes connected to cross section of heterojunction (AZO/p-Si). Measurements indicate that the AZO/p-Simore » photodiode exhibits a higher photocurrent and lower photoresponse time under visible illumination with respect to AZO photodetector; while under UV illumination, the above result is inversed. Besides, the internal junction field of AZO/p-Si heterojunction plays an important role on this mechanism.« less

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.

Examining the effect of altered redox conditions on deep soil organic matter stability

NASA Astrophysics Data System (ADS)

Gabriel, C.; Kellman, L. M.; Ziegler, S. E.

2013-12-01

Since subsoil horizons contribute significantly to terrestrial carbon (C) budgets, understanding the influence of disturbances such as forest harvesting on subsoil C stability is critical. Clearcut harvesting leads to changes in the soil physico-chemical environment, including altering redox conditions arising from changes in soil hydrology that increase soil saturation, soil temperature, and pH. These physico-chemical changes have the potential to alter the adsorption of soil organic matter (SOM) to minerals, particularly at depth where SOM is primarily associated with mineral phases. The objective of this study was to determine the effect of differing redox states (aerobic vs. anaerobic) and temperature upon SOM stability of forested soils representative of the Acadian Forest Region of Eastern North America. Composite soil samples through depth (0-10, 10-20, 20-35, and 35-50 cm) from a mature red spruce forest (110 years) were incubated under optimum (aerobic) or saturated (anaerobic) conditions for 1 or 4 months at two temperatures (5 and 15 C). Following incubation, soil leachate was analyzed for dissolved organic carbon (DOC), and UV-vis absorbance in order to determine soil C losses and its optical character. Specific UV-vis absorbance SUVA (254 nm) and spectral slope ratios were calculated in order to assess the composition of chromophoric dissolved organic matter (CDOM). Preliminary results from the 1 month incubation indicate that under anaerobic conditions, all depths released DOC with a higher SUVA than under aerobic conditions, with the largest change observed in the 0-10 cm depth increment. Soil incubated at 5 C produced leachate with significantly less DOC and with a lower absorbance compared to 15 C under both redox conditions. These results suggest that both temperature and redox state are important in determining the aromaticity of DOC released from soils. Spectral slope ratios revealed that a greater proportion of CDOM of lower molecular weight (MW) compounds were released from deep mineral podzolic soils when saturated (high SUVA, low spectral slope), while higher MW CDOM were released from shallow soil strata (low SUVA, high spectral slope). This is consistent with research that indicates plant-derived SOM and microbial products each dominate in shallow and deep mineral soils, respectively. These preliminary results suggest that alterations to the redox state of a forested podzolic soil may have the potential to alter the mobilization of SOM, its composition and associated soil carbon stores.

Lunar UV-visible-IR mapping interferometric spectrometer

NASA Technical Reports Server (NTRS)

Smith, W. Hayden; Haskin, L.; Korotev, R.; Arvidson, R.; Mckinnon, W.; Hapke, B.; Larson, S.; Lucey, P.

1992-01-01

Ultraviolet-visible-infrared mapping digital array scanned interferometers for lunar compositional surveys was developed. The research has defined a no-moving-parts, low-weight and low-power, high-throughput, and electronically adaptable digital array scanned interferometer that achieves measurement objectives encompassing and improving upon all the requirements defined by the LEXSWIG for lunar mineralogical investigation. In addition, LUMIS provides a new, important, ultraviolet spectral mapping, high-spatial-resolution line scan camera, and multispectral camera capabilities. An instrument configuration optimized for spectral mapping and imaging of the lunar surface and provide spectral results in support of the instrument design are described.

UV-vis spectroscopy study of plasma-activated water: Dependence of the chemical composition on plasma exposure time and treatment distance

NASA Astrophysics Data System (ADS)

Oh, Jun-Seok; Szili, Endre J.; Ogawa, Kotaro; Short, Robert D.; Ito, Masafumi; Furuta, Hiroshi; Hatta, Akimitsu

2018-01-01

Plasma-activated water (PAW) is receiving much attention in biomedical applications because of its reported potent bactericidal properties. Reactive oxygen and nitrogen species (RONS) that are generated in water upon plasma exposure are thought to be the key components in PAW that destroy bacterial and cancer cells. In addition to developing applications for PAW, it is also necessary to better understand the RONS chemistry in PAW in order to tailor PAW to achieve a specific biological response. With this in mind, we previously developed a UV-vis spectroscopy method using an automated curve fitting routine to quantify the changes in H2O2, NO2 -, NO3 - (the major long-lived RONS in PAW), and O2 concentrations. A major advantage of UV-vis is that it can take multiple measurements during plasma activation. We used the UV-vis procedure to accurately quantify the changes in the concentrations of these RONS and O2 in PAW. However, we have not yet provided an in-depth commentary of how we perform the curve fitting procedure or its implications. Therefore, in this study, we provide greater detail of how we use the curve fitting routine to derive the RONS and O2 concentrations in PAW. PAW was generated by treatment with a helium plasma jet. In addition, we employ UV-vis to study how the plasma jet exposure time and treatment distance affect the RONS chemistry and amount of O2 dissolved in PAW. We show that the plasma jet exposure time principally affects the total RONS concentration, but not the relative ratios of RONS, whereas the treatment distance affects both the total RONS concentration and the relative RONS concentrations.

Use of UV-vis-NIR spectroscopy to monitor label-free interaction between molecular recognition elements and erythropoietin on a gold-coated polycarbonate platform.

PubMed

Citartan, Marimuthu; Gopinath, Subash C B; Tominaga, Junji; Chen, Yeng; Tang, Thean-Hock

2014-08-01

Label-free-based detection is pivotal for real-time monitoring of biomolecular interactions and to eliminate the need for labeling with tags that can occupy important binding sites of biomolecules. One simplest form of label-free-based detection is ultraviolet-visible-near-infrared (UV-vis-NIR) spectroscopy, which measure changes in reflectivity as a means to monitor immobilization and interaction of biomolecules with their corresponding partners. In biosensor development, the platform used for the biomolecular interaction should be suitable for different molecular recognition elements. In this study, gold (Au)-coated polycarbonate was used as a platform and as a proof-of-concept, erythropoietin (EPO), a doping substance widely abused by the athletes was used as the target. The interaction of EPO with its corresponding molecular recognition elements (anti-EPO monoclonal antibody and anti-EPO DNA aptamer) is monitored by UV-vis-NIR spectroscopy. Prior to this, to show that UV-vis-NIR spectroscopy is a suitable method for measuring biomolecular interaction, the interaction between biotin and streptavidin was demonstrated via this strategy and reflectivity of this interaction decreased by 25%. Subsequent to this, interaction of the EPO with anti-EPO monoclonal antibody and anti-EPO DNA aptamer resulted in the decrease of reflectivity by 5% and 10%, respectively. The results indicated that Au-coated polycarbonate could be an ideal biosensor platform for monitoring biomolecular interactions using UV-vis-NIR spectroscopy. A smaller version of the Au-coated polycarbonate substrates can be derived from the recent set-up, to be applied towards detecting EPO abuse among atheletes. Copyright © 2014 Elsevier B.V. All rights reserved.

High-resolution UV-visible spectroscopy of lunar red spots

NASA Technical Reports Server (NTRS)

Bruno, B. C.; Lucey, P. G.; Hawke, B. R.

1991-01-01

A spectral reflectance study of selected lunar 'red spots', highland areas characterized by an absorption in the ultraviolet relative to the visible was conducted. Some red spots were suggested to be the sites of ancient highland volcanism. High-resolution spectral data of eight red spots on the western portion of the moon over the wavelength region 0.39-0.82 micron were obtained. Much spectral variation among these red spots in the magnitude as well as the wavelength position of the ultraviolet absorption were found. Spectral structure at visible and near-infrared wavelength were also identified. These spectral differences indicate that red spots do not have a single mineralogical composition, which in turn suggests that red spots may have multiple origins. Additional imaging spectroscopic observations were taken of the Herigonius red spot, a morphologically complex region northeast of Mare Humorum. These data reveal significant spectral differences among the various morphological units within the Herigonius red spot. Although some of these are likely due to the effects of the maturation process, others appear to reflect differences in mineral abundances and composition.

Profiling Polyphenols in Five Brassica species Microgreens by UHPLC-PDA-ESI/HRMSn

PubMed Central

Sun, Jianghao; Xiao, Zhenlei; Lin, Long-ze; Lester, Gene E.; Wang, Qin; Harnly, James M.; Chen, Pei

2014-01-01

Brassica vegetables are known to contain relatively high concentrations of bioactive compounds associated with human health. A comprehensive profiling of polyphenols from five Brassica species microgreens was conducted using ultra high-performance liquid chromatography photo diode array high-resolution multi-stage mass spectrometry (UHPLC-PDA-ESI/HRMSn). A total of 164 polyphenols including 30 anthocyanins, 105 flavonol glycosides, and 29 hydroxycinnamic acid and hydroxybenzoic acid derivatives were putatively identified.The putative identifications were based on UHPLC-HRMSn analysis using retention times, elution orders, UV/Vis spectra and high resolution mass spectra, in-house polyphenol database, and as well as literature comparisons. This study showed that these five Brassica species microgreens could be considered as good sources of food polyphenols. PMID:24144328