Testing a generalized domain model of photodegradation and self-healing using novel optical characterization techniques and the effects of an applied electric field

NASA Astrophysics Data System (ADS)

Anderson, Benjamin R.

Reversible photodegradation is a relatively new phenomenon which is not well understood. Previous research into the phenomenon has focused primarily on non-linear measurements such as amplified spontaneous emission(ASE) and two-photon fluorescence(TPF). We expand on this research by considering linear optical mea- surements, such as transmittance imaging and absorption spectroscopy, of disperse orange 11(DO11) dye-doped (poly)methyl-methacralate(PMMA) thin films and find photodegradation to contain both a reversible component and irreversible component, with the irreversible component having a small nonlinear susceptibility. From absorption measurements, and the small nonlinear susceptibility of the irreversible component, we hypothesize that the reversible component corresponds to damage to the dye, and the irreversible component is due to damage to the polymer host. Also, we develop models of depth dependent photodegradation taking pump beam absorption and propagation into account. We find that pump absorption must be taken into account, and that ignoring the effect leads to an underestimation of the true decay rate and degree of damage. In addition, we find pump propagation effects occur on large length scales, such that they are negligible when compared to absorption and typical sample thicknesses. Finally, we perform electric field dependent reversible photodegradation measurements and find that the underlying mechanism of reversible photodegradation is sensitive to the dye-doped polymer's electrical properties. We develop an extension to the correlated chromophore domain model to include the effect of an applied field, and find the model to fit experimental data for varying intensity, temperature, and applied electric field with only one set of model parameters.

Modeling the dose effects of soybean oil in salad dressing on carotenoid and fat-soluble vitamin bioavailability in salad vegetables.

PubMed

White, Wendy S; Zhou, Yang; Crane, Agatha; Dixon, Philip; Quadt, Frits; Flendrig, Leonard M

2017-10-01

Background: Previously, we showed that vegetable oil is necessary for carotenoid absorption from salad vegetables. Research is needed to better define the dose effect and its interindividual variation for carotenoids and fat-soluble vitamins. Objective: The objective was to model the dose-response relation between the amount of soybean oil in salad dressing and the absorption of 1 ) carotenoids, phylloquinone, and tocopherols in salad vegetables and 2 ) retinyl palmitate formed from the provitamin A carotenoids. Design: Women ( n = 12) each consumed 5 vegetable salads with salad dressings containing 0, 2, 4, 8, or 32 g soybean oil. Blood was collected at selected time points. The outcome variables were the chylomicron carotenoid and fat-soluble vitamin area under the curve (AUC) and maximum content in the plasma chylomicron fraction ( C max ). The individual-specific and group-average dose-response relations were investigated by fitting linear mixed-effects random coefficient models. Results: Across the entire 0-32-g range, soybean oil was linearly related to the chylomicron AUC and C max values for α-carotene, lycopene, phylloquinone, and retinyl palmitate. Across 0-8 g of soybean oil, there was a linear increase in the chylomicron AUC and C max values for β-carotene. Across a more limited 0-4-g range of soybean oil, there were minor linear increases in the chylomicron AUC for lutein and α- and total tocopherol. Absorption of all carotenoids and fat-soluble vitamins was highest with 32 g oil ( P < 0.002). For 32 g oil, the interindividual rank order of the chylomicron AUCs was consistent across the carotenoids and fat-soluble vitamins ( P < 0.0001). Conclusions: Within the linear range, the average absorption of carotenoids and fat-soluble vitamins could be largely predicted by the soybean oil effect. However, the effect varied widely, and some individuals showed a negligible response. There was a global soybean oil effect such that those who absorbed more of one carotenoid and fat-soluble vitamin also tended to absorb more of the others. This trial was registered at clinicaltrials.gov as NCT02867488. © 2017 American Society for Nutrition.

Measurement of Absorption Coefficient of Paraformaldehyde and Metaldehyde with Terahertz Spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, J.; Xia, T.; Chen, Q.; Sun, Q.; Deng, Y.; Wang, C.

2018-03-01

The characteristic absorption spectra of paraformaldehyde and metaldehyde in the terahertz frequency region are obtained by terahertz time-domain spectroscopy (THz-TDS). In order to reduce the absorption of terahertz (THz) wave by water vapor in the air and the background noise, the measurement system was filled with dry air and the measurements were conducted at the temperature of 24°C. Meanwhile, the humidity was controlled within 10% RH. The THz frequency domain spectra of samples and their references from 0 to 2.5 THz were analyzed via Fourier transform. The refractive index and absorption coefficients of the two aldehydes were calculated by the model formulas. From 0.1 to 2.5 THz, there appear two weak absorption peaks at 1.20 and 1.66 THz in the absorption spectra of paraformaldehyde. Only one distinct absorption peak emerges at 1.83 THz for metaldehyde. There are significant differences between the terahertz absorption coefficients of paraformaldehyde and metaldehyde, which can be used as "fingerprints" to identify these substances. Furthermore, the relationship between the average absorption coefficients and mass concentrations was investigated and the average absorption coefficient-mass concentration diagrams of paraformaldehyde and metaldehyde were shown. For paraformaldehyde, there is a linear relationship between the average absorption coefficient and the natural logarithm of mass concentration. For metaldehyde, there exists a simpler linear relationship between the average absorption coefficient and the mass concentration. Because of the characteristics of THz absorption of paraformaldehyde and metaldehyde, the THz-TDS can be applied to the qualitative and quantitative detection of the two aldehydes to reduce the unpredictable hazards due to these substances.

Development of novel two-photon absorbing chromophores

NASA Astrophysics Data System (ADS)

Rogers, Joy E.; Slagle, Jonathan E.; McLean, Daniel G.; Sutherland, Richard L.; Krein, Douglas M.; Cooper, Thomas M.; Brant, Mark; Heinrichs, James; Kannan, Ramamurthi; Tan, Loon-Seng; Urbas, Augustine M.; Fleitz, Paul A.

2006-08-01

There has been much interest in the development of two-photon absorbing materials and many efforts to understand the nonlinear absorption properties of these dyes but this area is still not well understood. A computational model has been developed in our lab to understand the nanosecond nonlinear absorption properties that incorporate all of the measured one-photon photophysical parameters of a class of materials called AFX. We have investigated the nonlinear and photophysical properties of the AFX chromophores including the two-photon absorption cross-section, the excited state cross-section, the intersystem crossing quantum yield, and the singlet and triplet excited state lifetimes using a variety of experimental techniques that include UV-visible, fluorescence and phosphorescence spectroscopy, time correlated single photon counting, ultrafast transient absorption, and nanosecond laser flash photolysis. The model accurately predicts the nanosecond nonlinear transmittance data using experimentally measured parameters. Much of the strong nonlinear absorption has been shown to be due to excited state absorption from both the singlet and triplet excited states. Based on this understanding of the nonlinear absorption and the importance of singlet and triplet excited states we have begun to develop new two-photon absorbing molecules within the AFX class as well as linked to other classes of nonlinear absorbing molecules. This opens up the possibilities of new materials with unique and interesting properties. Specifically we have been working on a new class of two-photon absorbing molecules linked to platinum poly-ynes. In the platinum poly-yne chromophores the photophysics are more complicated and we have just started to understand what drives both the linear and non-linear photophysical properties.

Study of absorption and re-emission processes in a ternary liquid scintillation system

NASA Astrophysics Data System (ADS)

Xiao, Hua-Lin; Li, Xiao-Bo; Zheng, Dong; Cao, Jun; Wen, Liang-Jian; Wang, Nai-Yan

2010-11-01

Liquid scintillators are widely used as the neutrino target in neutrino experiments. The absorption and emission of different components of a ternary liquid scintillator (Linear Alkyl Benzene (LAB) as the solvent, 2,5-diphenyloxazole (PPO) as the fluor and p-bis-(o-methylstyryl)-benzene (bis-MSB) as wavelength shifter) are studied. It is shown that the absorption of this liquid scintillator is dominant by LAB and PPO at wavelengths less than 349 nm, and the absorption by bis-MSB becomes prevalent at the wavelength larger than 349 nm. The fluorescence quantum yields, which are the key parameters to model the absorption and re-emission processes in large liquid scintillation detectors, are measured.

Linear and Non-Linear Thermal Lens Signal of the Fifth C-H Vibrational Overtone of Naphthalene in Liquid Solutions of Hexane

NASA Astrophysics Data System (ADS)

Manzanares, Carlos; Diaz, Marlon; Barton, Ann; Nyaupane, Parashu R.

2017-06-01

The thermal lens technique is applied to vibrational overtone spectroscopy of solutions of naphthalene in n-hexane. The pump and probe thermal lens technique is found to be very sensitive for detecting samples of low composition (ppm) in transparent solvents. In this experiment two different probe lasers: one at 488 nm and another 568 nm were used. The C-H fifth vibrational overtone spectrum of benzene is detected at room temperature for different concentrations. A plot of normalized integrated intensity as a function of concentration of naphthalene in solution reveals a non-linear behavior at low concentrations when using the 488 nm probe and a linear behavior over the entire range of concentrations when using the 568 nm probe. The non-linearity cannot be explained assuming solvent enhancement at low concentrations. A two color absorption model that includes the simultaneous absorption of the pump and probe lasers could explain the enhanced magnitude and the non-linear behavior of the thermal lens signal. Other possible mechanisms will also be discussed.

Physical aspects of heat generation/absorption in the second grade fluid flow due to Riga plate: Application of Cattaneo-Christov approach

NASA Astrophysics Data System (ADS)

Anjum, Aisha; Mir, N. A.; Farooq, M.; Javed, M.; Ahmad, S.; Malik, M. Y.; Alshomrani, A. S.

2018-06-01

The present article concentrates on thermal stratification in the flow of second grade fluid past a Riga plate with linear stretching towards a stagnation region. Heat transfer phenomenon is disclosed with heat generation/absorption. Riga plate is known as electromagnetic actuator which comprises of permanent magnets and alternating electrodes placed on a plane surface. Cattaneo-Christov heat flux model is implemented to analyze the features of heat transfer. This new heat flux model is the generalization of classical Fourier's law with the contribution of thermal relaxation time. For the first time heat generation/absorption effect is computed with non-Fourier's law of heat conduction (i.e., Cattaneo-Christov heat flux model). Transformations are used to obtain the governing non-linear ordinary differential equations. Approximate convergent solutions are developed for the non-dimensionalized governing problems. Physical features of velocity and temperature distributions are graphically analyzed corresponding to various parameters in 2D and 3D. It is noted that velocity field enhances with an increment of modified Hartman number while it reduces with increasing variable thickness parameter. Increment in modified heat generation parameter results in reduction of temperature field.

Mathematical Modeling of Intestinal Iron Absorption Using Genetic Programming

PubMed Central

Colins, Andrea; Gerdtzen, Ziomara P.; Nuñez, Marco T.; Salgado, J. Cristian

2017-01-01

Iron is a trace metal, key for the development of living organisms. Its absorption process is complex and highly regulated at the transcriptional, translational and systemic levels. Recently, the internalization of the DMT1 transporter has been proposed as an additional regulatory mechanism at the intestinal level, associated to the mucosal block phenomenon. The short-term effect of iron exposure in apical uptake and initial absorption rates was studied in Caco-2 cells at different apical iron concentrations, using both an experimental approach and a mathematical modeling framework. This is the first report of short-term studies for this system. A non-linear behavior in the apical uptake dynamics was observed, which does not follow the classic saturation dynamics of traditional biochemical models. We propose a method for developing mathematical models for complex systems, based on a genetic programming algorithm. The algorithm is aimed at obtaining models with a high predictive capacity, and considers an additional parameter fitting stage and an additional Jackknife stage for estimating the generalization error. We developed a model for the iron uptake system with a higher predictive capacity than classic biochemical models. This was observed both with the apical uptake dataset used for generating the model and with an independent initial rates dataset used to test the predictive capacity of the model. The model obtained is a function of time and the initial apical iron concentration, with a linear component that captures the global tendency of the system, and a non-linear component that can be associated to the movement of DMT1 transporters. The model presented in this paper allows the detailed analysis, interpretation of experimental data, and identification of key relevant components for this complex biological process. This general method holds great potential for application to the elucidation of biological mechanisms and their key components in other complex systems. PMID:28072870

Experimental study of refrigeration performance based on linear Fresnel solar thermal photovoltaic system

NASA Astrophysics Data System (ADS)

Song, Jinghui; Yuan, Hui; Xia, Yunfeng; Kan, Weimin; Deng, Xiaowen; Liu, Shi; Liang, Wanlong; Deng, Jianhua

2018-03-01

This paper introduces the working principle and system constitution of the linear Fresnel solar lithium bromide absorption refrigeration cycle, and elaborates several typical structures of absorption refrigeration cycle, including single-effect, two-stage cycle and double-effect lithium bromide absorption refrigeration cycle A 1.n effect absorption chiller system based on the best parameters was introduced and applied to a linear Fresnel solar absorption chiller system. Through the field refrigerator performance test, the results show: Based on this heat cycle design and processing 1.n lithium bromide absorption refrigeration power up to 35.2KW, It can meet the theoretical expectations and has good flexibility and reliability, provides guidance for the use of solar thermal energy.

Linear dichroism and the nature of charge order in underdoped cuprates

DOE PAGES

Norman, M. R.

2015-04-21

Recent experiments have addressed the nature of the charge order seen in underdoped cuprates. In this paper, I show that x-ray absorption and linear dichroism are excellent probes of such order. Ab initio calculations reveal that a d-wave charge density wave order involving the oxygen ions is a much better description of the data than alternate models.

Luminescent hyperbolic metasurfaces

NASA Astrophysics Data System (ADS)

Smalley, J. S. T.; Vallini, F.; Montoya, S. A.; Ferrari, L.; Shahin, S.; Riley, C. T.; Kanté, B.; Fullerton, E. E.; Liu, Z.; Fainman, Y.

2017-01-01

When engineered on scales much smaller than the operating wavelength, metal-semiconductor nanostructures exhibit properties unobtainable in nature. Namely, a uniaxial optical metamaterial described by a hyperbolic dispersion relation can simultaneously behave as a reflective metal and an absorptive or emissive semiconductor for electromagnetic waves with orthogonal linear polarization states. Using an unconventional multilayer architecture, we demonstrate luminescent hyperbolic metasurfaces, wherein distributed semiconducting quantum wells display extreme absorption and emission polarization anisotropy. Through normally incident micro-photoluminescence measurements, we observe absorption anisotropies greater than a factor of 10 and degree-of-linear polarization of emission >0.9. We observe the modification of emission spectra and, by incorporating wavelength-scale gratings, show a controlled reduction of polarization anisotropy. We verify hyperbolic dispersion with numerical simulations that model the metasurface as a composite nanoscale structure and according to the effective medium approximation. Finally, we experimentally demonstrate >350% emission intensity enhancement relative to the bare semiconducting quantum wells.

Development of population pharmacokinetics model of icotinib with non-linear absorption characters in healthy Chinese volunteers to assess the CYP2C19 polymorphism and food-intake effect.

PubMed

Hu, Pei; Chen, Jia; Liu, Dongyang; Zheng, Xin; Zhao, Qian; Jiang, Ji

2015-07-01

Icotinib is a potent and selective inhibitor of epidermal growth factor receptors (EGFR) approved to treat non-small cell lung cancer (NSCLC). However, its high variability may impede its application. The objectives of this analysis were to assess plasma pharmacokinetics and identify covariates that may explain variability in icotinib absorption and/or disposition following single dose of icotinib in healthy volunteers. Data from two clinical studies (n = 22) were analyzed. One study was designed as three-period and Latin-squared (six sequence) trial to evaluate dose proportionality, and the other one was designed as two-way crossover trial to evaluate food effect on pharmacokinetics (PK) characters. Icotinib concentrations in plasma were analyzed using non-linear mixed-effects model (NONMEM) method. The model was used to assess influence of food, demographic characteristics, measurements of blood biochemistry, and CYP2C19 genotype on PK characters of icotinib in humans. The final model was diagnosed by goodness-of-fit plots and evaluated by visual predictive check (VPC) and bootstrap methods. A two-compartment model with saturated absorption character was developed to capture icotinib pharmacokinetics. Typical value of clearance, distribution clearance, central volume of distribution, maximum absorption rate were 29.5 L/h, 24.9 L/h, 18.5 L, 122.2 L and 204,245 μg/h, respectively. When icotinib was administrated with food, bioavailability was estimated to be increased by 48%. Inter-occasion variability was identified to affect on maximum absorption rate constant in food-effect study. CL was identified to be significantly influenced by age, albumin concentration (ALB), and CYP2C19 genotype. No obvious bias was found by VPC and bootstrap methods. The developed model can capture icotinib pharmacokinetics well in healthy volunteers. Food intake can increase icotinib exposure. Three covariates, age, albumin concentration, and CYP2C19 genotype, were identified to significantly affect icotinib PK profiles in healthy subjects.

Effect of the concentration of magnetic grains on the linear-optical-absorption coefficient of ferrofluid-doped lyotropic mesophases: deviation from the Beer-Lambert law.

PubMed

Cuppo, F L S; Gómez, S L; Figueiredo Neto, A M

2004-04-01

In this paper is reported a systematic experimental study of the linear-optical-absorption coefficient of ferrofluid-doped isotropic lyotropic mixtures as a function of the magnetic-grains concentration. The linear optical absorption of ferrolyomesophases increases in a nonlinear manner with the concentration of magnetic grains, deviating from the usual Beer-Lambert law. This behavior is associated to the presence of correlated micelles in the mixture which favors the formation of small-scale aggregates of magnetic grains (dimers), which have a higher absorption coefficient with respect to that of isolated grains. We propose that the indirect heating of the micelles via the ferrofluid grains (hyperthermia) could account for this nonlinear increase of the linear-optical-absorption coefficient as a function of the grains concentration.

Frequency Modulation and Absorption Improvement of THz Micro-bolometer with Micro-bridge Structure by Spiral-Type Antennas

NASA Astrophysics Data System (ADS)

Gou, Jun; Niu, Qingchen; Liang, Kai; Wang, Jun; Jiang, Yadong

2018-03-01

Antenna-coupled micro-bridge structure is proven to be a good solution to extend infrared micro-bolometer technology for THz application. Spiral-type antennas are proposed in 25 μm × 25 μm micro-bridge structure with a single separate linear antenna, two separate linear antennas, or two connected linear antennas on the bridge legs, in addition to traditional spiral-type antenna on the support layer. The effects of structural parameters of each antenna on THz absorption of micro-bridge structure are discussed for optimized absorption of 2.52 THz wave radiated by far infrared CO2 lasers. The design of spiral-type antenna with two separate linear antennas for wide absorption peak and spiral-type antenna with two connected linear antennas for relatively stable absorption are good candidates for high absorption at low absorption frequency with a rotation angle of 360* n ( n = 1.6). Spiral-type antenna with extended legs also provides a highly integrated micro-bridge structure with fast response and a highly compatible, process-simplified way to realize the structure. This research demonstrates the design of several spiral-type antenna-coupled micro-bridge structures and provides preferred schemes for potential device applications in room temperature sensing and real-time imaging.

Are non-linearity effects of absorption important for MAX-DOAS observations?

NASA Astrophysics Data System (ADS)

Pukite, Janis; Wang, Yang; Wagner, Thomas

2017-04-01

For scattered light observations the absorption optical depth depends non-linearly on the trace gas concentrations if their absorption is strong. This is the case because the Beer-Lambert law is generally not applicable for scattered light measurements due to many (i.e. more than one) light paths contributing to the measurement. While in many cases a linear approximation can be made, for scenarios with strong absorption non-linear effects cannot always be neglected. This is especially the case for observation geometries with spatially extended and diffuse light paths, especially in satellite limb geometry but also for nadir measurements as well. Fortunately the effects of non-linear effects can be quantified by means of expanding the radiative transfer equation in a Taylor series with respect to the trace gas absorption coefficients. Herewith if necessary (1) the higher order absorption structures can be described as separate fit parameters in the DOAS fit and (2) the algorithm constraints of retrievals of VCDs and profiles can be improved by considering higher order sensitivity parameters. In this study we investigate the contribution of the higher order absorption structures for MAX-DOAS observation geometry for different atmospheric and ground properties (cloud and aerosol effects, trace gas amount, albedo) and geometry (different Sun and viewing angles).

Frequency Modulation and Absorption Improvement of THz Micro-bolometer with Micro-bridge Structure by Spiral-Type Antennas.

PubMed

Gou, Jun; Niu, Qingchen; Liang, Kai; Wang, Jun; Jiang, Yadong

2018-03-05

Antenna-coupled micro-bridge structure is proven to be a good solution to extend infrared micro-bolometer technology for THz application. Spiral-type antennas are proposed in 25 μm × 25 μm micro-bridge structure with a single separate linear antenna, two separate linear antennas, or two connected linear antennas on the bridge legs, in addition to traditional spiral-type antenna on the support layer. The effects of structural parameters of each antenna on THz absorption of micro-bridge structure are discussed for optimized absorption of 2.52 THz wave radiated by far infrared CO 2 lasers. The design of spiral-type antenna with two separate linear antennas for wide absorption peak and spiral-type antenna with two connected linear antennas for relatively stable absorption are good candidates for high absorption at low absorption frequency with a rotation angle of 360*n (n = 1.6). Spiral-type antenna with extended legs also provides a highly integrated micro-bridge structure with fast response and a highly compatible, process-simplified way to realize the structure. This research demonstrates the design of several spiral-type antenna-coupled micro-bridge structures and provides preferred schemes for potential device applications in room temperature sensing and real-time imaging.

Effect of dietary phosphorus on intestinal phosphorus absorption in growing Holstein steers.

PubMed

Feng, X; Ronk, E; Hanigan, M D; Knowlton, K F; Schramm, H; McCann, M

2015-05-01

The effect of dietary P intake on intestinal P absorption was evaluated in growing Holstein steers. Diets varying in P content (0.15, 0.27, 0.36, and 0.45%, DM basis) were fed to 8 steers (174±10kg of BW) fitted with permanent duodenal and ileal cannulas in a replicated 4×4 Latin square with 14-d periods. Ytterbium-labeled corn silage and cobalt-EDTA were used as particulate and liquid phase markers, respectively, to measure digesta flow. Duodenal and ileal samples and spot urine samples were collected every 9 h from d 11 to 14. Total fecal collection was conducted on d 11 to 14 with fecal bags. Blood samples were collected from the coccygeal vessel on d 14. Feed, digesta, and fecal samples were analyzed for total P and inorganic P. Data were analyzed using PROC GLIMMIX in SAS with a model including treatment, square, period, and interaction of treatment and square. Preplanned contrasts were used to evaluate linear and quadratic treatment effects. Results were reported as least squares means. Dry matter intake (mean=4.90kg/d, 2.8% of BW) and apparent DM digestibility (mean=78.1%) were unaffected by treatment. Duodenal and ileal flow of total P increased linearly with increasing P intake (13.4, 18.5, 23.0, and 27.4g/d; 6.80, 7.87, 8.42, and 10.4g/d). Increasing P intake increased the quantity of P absorbed from the small intestine linearly (6.96, 11.1, 14.6, and 17.2g/d), but absorption efficiency was unchanged (mean=59.6%). Phosphorus was absorbed on a net basis from the large intestine, but this was not affected by treatment and was a small proportion of total P absorption. Blood inorganic P increased linearly with increased dietary P (4.36, 6.31, 7.68, and 8.5mg/dL) and salivary P secretion was unchanged (mean=5.79g/d), suggesting that rumen function was prioritized during short-term P deficiency. These data showing an absence of change in absorption efficiency and salivary P secretion in the face of short-term P deficiency may be used to improve published models of P digestion, absorption, and metabolism. Copyright © 2015 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Dual-energy x-ray image decomposition by independent component analysis

NASA Astrophysics Data System (ADS)

Jiang, Yifeng; Jiang, Dazong; Zhang, Feng; Zhang, Dengfu; Lin, Gang

2001-09-01

The spatial distributions of bone and soft tissue in human body are separated by independent component analysis (ICA) of dual-energy x-ray images. It is because of the dual energy imaging modelí-s conformity to the ICA model that we can apply this method: (1) the absorption in body is mainly caused by photoelectric absorption and Compton scattering; (2) they take place simultaneously but are mutually independent; and (3) for monochromatic x-ray sources the total attenuation is achieved by linear combination of these two absorption. Compared with the conventional method, the proposed one needs no priori information about the accurate x-ray energy magnitude for imaging, while the results of the separation agree well with the conventional one.

Effects of Combined Surface and In-Depth Absorption on Ignition of PMMA

PubMed Central

Gong, Junhui; Chen, Yixuan; Li, Jing; Jiang, Juncheng; Wang, Zhirong; Wang, Jinghong

2016-01-01

A one-dimensional numerical model and theoretical analysis involving both surface and in-depth radiative heat flux absorption are utilized to investigate the influence of their combination on ignition of PMMA (Polymethyl Methacrylate). Ignition time, transient temperature in a solid and optimized combination of these two absorption modes of black and clear PMMA are examined to understand the ignition mechanism. Based on the comparison, it is found that the selection of constant or variable thermal parameters of PMMA barely affects the ignition time of simulation results. The linearity between tig−0.5 and heat flux does not exist anymore for high heat flux. Both analytical and numerical models underestimate the surface temperature and overestimate the temperature in a solid beneath the heat penetration layer for pure in-depth absorption. Unlike surface absorption circumstances, the peak value of temperature is in the vicinity of the surface but not on the surface for in-depth absorption. The numerical model predicts the ignition time better than the analytical model due to the more reasonable ignition criterion selected. The surface temperature increases with increasing incident heat flux. Furthermore, it also increases with the fraction of surface absorption and the radiative extinction coefficient for fixed heat flux. Finally, the combination is optimized by ignition time, temperature distribution in a solid and mass loss rate. PMID:28773940

Effects of Combined Surface and In-Depth Absorption on Ignition of PMMA.

PubMed

Gong, Junhui; Chen, Yixuan; Li, Jing; Jiang, Juncheng; Wang, Zhirong; Wang, Jinghong

2016-10-05

A one-dimensional numerical model and theoretical analysis involving both surface and in-depth radiative heat flux absorption are utilized to investigate the influence of their combination on ignition of PMMA (Polymethyl Methacrylate). Ignition time, transient temperature in a solid and optimized combination of these two absorption modes of black and clear PMMA are examined to understand the ignition mechanism. Based on the comparison, it is found that the selection of constant or variable thermal parameters of PMMA barely affects the ignition time of simulation results. The linearity between t ig -0.5 and heat flux does not exist anymore for high heat flux. Both analytical and numerical models underestimate the surface temperature and overestimate the temperature in a solid beneath the heat penetration layer for pure in-depth absorption. Unlike surface absorption circumstances, the peak value of temperature is in the vicinity of the surface but not on the surface for in-depth absorption. The numerical model predicts the ignition time better than the analytical model due to the more reasonable ignition criterion selected. The surface temperature increases with increasing incident heat flux. Furthermore, it also increases with the fraction of surface absorption and the radiative extinction coefficient for fixed heat flux. Finally, the combination is optimized by ignition time, temperature distribution in a solid and mass loss rate.

Two-photon absorption resonance in 3-(1,1-dicyanoethenyl)-1-phenyl-4,5-dihydro-1H-pyrazole (DCNP)

NASA Astrophysics Data System (ADS)

Miniewicz, Andrzej; Delysse, Stéphane; Nunzi, Jean-Michel; Kajzar, François

1998-04-01

A two-photon absorption spectrum of 3-(1,1-dicyanoethenyl)-1-phenyl-4,5-dihydro-1H-pyrazole (DCNP) in tetrahydrofuran solution has been studied by the Kerr ellipsometry technique. The spectral shape and amplitude of the imaginary part of the dominant molecular hyperpolarizability term Im( γXXXX) is compared with the relevant linear absorption spectrum within a simple two-level model. Agreement between the measured γXXXX=2.0×10 -48 m 5 V -2 and calculated γXXXX=(1.2-1.5)×10 -48 m 5 V -2 two-photon absorption molecular hyperpolarizabilties in the vicinity of the two-photon resonance transition is satisfactory.

Absorption by H2O and H2O-N2 mixtures at 153 GHz

NASA Technical Reports Server (NTRS)

Bauer, A.; Godon, M.; Carlier, J.; Ma, Q.; Tippings, R. H.

1993-01-01

New experimental data on and a theoretical analysis of the absorption coefficient at 153 GHz are presented for pure water vapor and water vapor-nitrogen mixtures. This frequency is 30 GHz lower than the resonant frequency of the nearest strong water line (183 GHz) and complements our previous measurements at 213 GHz. The pressure dependence is observed to be quadratic in the case of pure water vapor, while in the case of mixtures there are both linear and quadratic density components. By fitting our experimental data taken at several temperatures we have obtained the temperature dependence of the absorption. Our experimental data are compared to several theoretical models with and without a continuum contribution, and we find that none of the models is in very good agreement with the data; in the case of pure water vapor, the continuum contribution calculated using the recent theoretical absorption gives the best results. In general, the agreement between the data and the various models is less satisfactory than found previously in the high-frequency wing. The anisotropy in the observed absorption differs from that currently used in atmospheric models.

Terahertz spectral detection of potassium sorbate in milk powder

NASA Astrophysics Data System (ADS)

Li, Pengpeng; Zhang, Yuan; Ge, Hongyi

2017-02-01

The spectral characteristics of potassium sorbate in milk powder in the range of 0.2 2.0 THz have been measured with THz time-domain spectroscopy(THz-TDS). Its absorption and refraction spectra are obtained at room temperature in the nitrogen atmosphere. The results showed that potassium sorbate at 0.98 THz obvious characteristic absorption peak. The simple linear regression(SLR) model was taken to analyze the content of potassium sorbate in milk powder. The results showed that the absorption coefficient increases as the mixture potassium sorbate increases. The research is important to food quality and safety testing.

Understanding the features in the ultrafast transient absorption spectra of CdSe quantum dots

NASA Astrophysics Data System (ADS)

Zhang, Cheng; Do, Thanh Nhut; Ong, Xuanwei; Chan, Yinthai; Tan, Howe-Siang

2016-12-01

We describe a model to explain the features of the ultrafast transient absorption (TA) spectra of CdSe core type quantum dots (QDs). The measured TA spectrum consists of contributions by the ground state bleach (GSB), stimulated emission (SE) and excited state absorption (ESA) processes associated with the three lowest energy transition of the QDs. We model the shapes of the GSB, SE and ESA spectral components after fits to the linear absorption. The spectral positions of the ESA components take into account the biexcitonic binding energy. In order to obtain the correct weightage of the GSB, SE and ESA components to the TA spectrum, we enumerate the set of coherence transfer pathways associated with these processes. From our fits of the experimental TA spectra of 65 Å diameter QDs, biexcitonic binding energies for the three lowest energy transitions are obtained.

Linear dichroism of DNA: Characterization of the orientation distribution function caused by hydrodynamic shear

DOE PAGES

Sutherland, John C.

2017-04-15

Linear dichroism provides information on the orientation of chromophores part of, or bound to, an orientable molecule such as DNA. For molecular alignment induced by hydrodynamic shear, the principal axes orthogonal to the direction of alignment are not equivalent. Thus, the magnitude of the flow-induced change in absorption for light polarized parallel to the direction of flow can be more than a factor of two greater than the corresponding change for light polarized perpendicular to both that direction and the shear axis. The ratio of the two flow-induced changes in absorption, the dichroic increment ratio, is characterized using the orthogonalmore » orientation model, which assumes that each absorbing unit is aligned parallel to one of the principal axes of the apparatus. The absorption of the alienable molecules is characterized by components parallel and perpendicular to the orientable axis of the molecule. The dichroic increment ratio indicates that for the alignment of DNA in rectangular flow cells, average alignment is not uniaxial, but for higher shear, as produced in a Couette cell, it can be. The results from the simple model are identical to tensor models for typical experimental configuration. Approaches for measuring the dichroic increment ratio with modern dichrometers are further discussed.« less

Linear dichroism of DNA: Characterization of the orientation distribution function caused by hydrodynamic shear

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

Sutherland, John C.

Linear dichroism provides information on the orientation of chromophores part of, or bound to, an orientable molecule such as DNA. For molecular alignment induced by hydrodynamic shear, the principal axes orthogonal to the direction of alignment are not equivalent. Thus, the magnitude of the flow-induced change in absorption for light polarized parallel to the direction of flow can be more than a factor of two greater than the corresponding change for light polarized perpendicular to both that direction and the shear axis. The ratio of the two flow-induced changes in absorption, the dichroic increment ratio, is characterized using the orthogonalmore » orientation model, which assumes that each absorbing unit is aligned parallel to one of the principal axes of the apparatus. The absorption of the alienable molecules is characterized by components parallel and perpendicular to the orientable axis of the molecule. The dichroic increment ratio indicates that for the alignment of DNA in rectangular flow cells, average alignment is not uniaxial, but for higher shear, as produced in a Couette cell, it can be. The results from the simple model are identical to tensor models for typical experimental configuration. Approaches for measuring the dichroic increment ratio with modern dichrometers are further discussed.« less

Linear dichroism of DNA: Characterization of the orientation distribution function caused by hydrodynamic shear.

PubMed

Sutherland, John C

2017-04-15

Linear dichroism provides information on the orientation of chromophores part of, or bound to, an orientable molecule such as DNA. For molecular alignment induced by hydrodynamic shear, the principal axes orthogonal to the direction of alignment are not equivalent. Thus, the magnitude of the flow-induced change in absorption for light polarized parallel to the direction of flow can be more than a factor of two greater than the corresponding change for light polarized perpendicular to both that direction and the shear axis. The ratio of the two flow-induced changes in absorption, the dichroic increment ratio, is characterized using the orthogonal orientation model, which assumes that each absorbing unit is aligned parallel to one of the principal axes of the apparatus. The absorption of the alienable molecules is characterized by components parallel and perpendicular to the orientable axis of the molecule. The dichroic increment ratio indicates that for the alignment of DNA in rectangular flow cells, average alignment is not uniaxial, but for higher shear, as produced in a Couette cell, it can be. The results from the simple model are identical to tensor models for typical experimental configurations. Approaches for measuring the dichroic increment ratio with modern dichrometers are discussed. Copyright © 2017. Published by Elsevier Inc.

Pharmacokinetic/Pharmacodynamic Relationship of Gabapentin in a CFA-induced Inflammatory Hyperalgesia Rat Model.

PubMed

Larsen, Malte Selch; Keizer, Ron; Munro, Gordon; Mørk, Arne; Holm, René; Savic, Rada; Kreilgaard, Mads

2016-05-01

Gabapentin displays non-linear drug disposition, which complicates dosing for optimal therapeutic effect. Thus, the current study was performed to elucidate the pharmacokinetic/pharmacodynamic (PKPD) relationship of gabapentin's effect on mechanical hypersensitivity in a rat model of CFA-induced inflammatory hyperalgesia. A semi-mechanistic population-based PKPD model was developed using nonlinear mixed-effects modelling, based on gabapentin plasma and brain extracellular fluid (ECF) time-concentration data and measurements of CFA-evoked mechanical hyperalgesia following administration of a range of gabapentin doses (oral and intravenous). The plasma/brain ECF concentration-time profiles of gabapentin were adequately described with a two-compartment plasma model with saturable intestinal absorption rate (K m  = 44.1 mg/kg, V max  = 41.9 mg/h∙kg) and dose-dependent oral bioavailability linked to brain ECF concentration through a transit compartment. Brain ECF concentration was directly linked to a sigmoid E max function describing reversal of hyperalgesia (EC 50, plasma  = 16.7 μg/mL, EC 50, brain  = 3.3 μg/mL). The proposed semi-mechanistic population-based PKPD model provides further knowledge into the understanding of gabapentin's non-linear pharmacokinetics and the link between plasma/brain disposition and anti-hyperalgesic effects. The model suggests that intestinal absorption is the primary source of non-linearity and that the investigated rat model provides reasonable predictions of clinically effective plasma concentrations for gabapentin.

Models of filter-based particle light absorption measurements

NASA Astrophysics Data System (ADS)

Hamasha, Khadeejeh M.

Light absorption by aerosol is very important in the visible, near UN, and near I.R region of the electromagnetic spectrum. Aerosol particles in the atmosphere have a great influence on the flux of solar energy, and also impact health in a negative sense when they are breathed into lungs. Aerosol absorption measurements are usually performed by filter-based methods that are derived from the change in light transmission through a filter where particles have been deposited. These methods suffer from interference between light-absorbing and light-scattering aerosol components. The Aethalometer is the most commonly used filter-based instrument for aerosol light absorption measurement. This dissertation describes new understanding of aerosol light absorption obtained by the filter method. The theory uses a multiple scattering model for the combination of filter and particle optics. The theory is evaluated using Aethalometer data from laboratory and ambient measurements in comparison with photoacoustic measurements of aerosol light absorption. Two models were developed to calculate aerosol light absorption coefficients from the Aethalometer data, and were compared to the in-situ aerosol light absorption coefficients. The first is an approximate model and the second is a "full" model. In the approximate model two extreme cases of aerosol optics were used to develop a model-based calibration scheme for the 7-wavelength Aethalometer. These cases include those of very strong scattering aerosols (Ammonium sulfate sample) and very absorbing aerosols (kerosene soot sample). The exponential behavior of light absorption in the strong multiple scattering limit is shown to be the square root of the total absorption optical depth rather than linear with optical depth as is commonly assumed with Beer's law. 2-stream radiative transfer theory was used to develop the full model to calculate the aerosol light absorption coefficients from the Aethalometer data. This comprehensive model allows for studying very general cases of particles of various sizes embedded on arbitrary filter media. Application of this model to the Reno Aerosol Optics Study (Laboratory data) shows that the aerosol light absorption coefficients are about half of the Aethalometer attenuation coefficients, and there is a reasonable agreement between the model calculated absorption coefficients at 521 nm and the measured photoacoustic absorption coefficients at 532 nm. For ambient data obtained during the Las Vegas study, it shows that the model absorption coefficients at 521 nm are larger than the photoacoustic coefficients at 532 nm. Use of the 2-stream model shows that particle penetration depth into the filter has a strong influence on the interpretation of filter-based aerosol light absorption measurements. This is likely explanation for the difference found between model results for filter-based aerosol light absorption and those from photoacoustic measurements for ambient and laboratory aerosol.

Microscopic Modeling of Intersubband Optical Processes in Type II Semiconductor Quantum Wells: Linear Absorption

NASA Technical Reports Server (NTRS)

Li, Jian-Zhong; Kolokolov, Kanstantin I.; Ning, Cun-Zheng

2003-01-01

Linear absorption spectra arising from intersubband transitions in semiconductor quantum well heterostructures are analyzed using quantum kinetic theory by treating correlations to the first order within Hartree-Fock approximation. The resulting intersubband semiconductor Bloch equations take into account extrinsic dephasing contributions, carrier-longitudinal optical phonon interaction and carrier-interface roughness interaction which is considered with Ando s theory. As input for resonance lineshape calculation, a spurious-states-free 8-band kp Hamiltonian is used, in conjunction with the envelop function approximation, to compute self-consistently the energy subband structure of electrons in type II InAs/AlSb single quantum well structures. We demonstrate the interplay of nonparabolicity and many-body effects in the mid-infrared frequency range for such heterostructures.

Effect of size and indium-composition on linear and nonlinear optical absorption of InGaN/GaN lens-shaped quantum dot

NASA Astrophysics Data System (ADS)

Ahmed, S. Jbara; Zulkafli, Othaman; M, A. Saeed

2016-05-01

Based on the Schrödinger equation for envelope function in the effective mass approximation, linear and nonlinear optical absorption coefficients in a multi-subband lens quantum dot are investigated. The effects of quantum dot size on the interband and intraband transitions energy are also analyzed. The finite element method is used to calculate the eigenvalues and eigenfunctions. Strain and In-mole-fraction effects are also studied, and the results reveal that with the decrease of the In-mole fraction, the amplitudes of linear and nonlinear absorption coefficients increase. The present computed results show that the absorption coefficients of transitions between the first excited states are stronger than those of the ground states. In addition, it has been found that the quantum dot size affects the amplitudes and peak positions of linear and nonlinear absorption coefficients while the incident optical intensity strongly affects the nonlinear absorption coefficients. Project supported by the Ministry of Higher Education and Scientific Research in Iraq, Ibnu Sina Institute and Physics Department of Universiti Teknologi Malaysia (UTM RUG Vote No. 06-H14).

MULTICOMPARTMENT KINETIC MODELS FOR LEAD. 2. LINEAR KINETICS AND VARIABLE ABSORPTION IN HUMANS WITHOUT EXCESSIVE LEAD EXPOSURES

EPA Science Inventory

Multicompartment models with constant fractional transfer rates have been fitted to experimental data on lead metabolism in four subjects studied by M. B. Rabinowitz, G. W. Wetherill, and J. D. Kopple (Science 182, 725-727, 1973; Environ. Health Perspect. 7, 145-153, 1974; Arch. ...

Electrical transport properties of individual WS2 nanotubes and their dependence on water and oxygen absorption

NASA Astrophysics Data System (ADS)

Zhang, Chaoying; Ning, Zhiyuan; Liu, Yang; Xu, Tingting; Guo, Yao; Zak, Alla; Zhang, Zhiyong; Wang, Sheng; Tenne, Reshef; Chen, Qing

2012-09-01

The electrical properties of WS2 nanotubes (NTs) were studied through measuring 59 devices. Important electrical parameters, such as the carrier concentration, mobility, and effective barrier height at the contacts, were obtained through fitting experimental non-linear I-V curves using a metal-semiconductor-metal model. The carrier mobility was found to be several orders of magnitude higher than that have been reported previously for WS2 NTs. Water absorption was found to decrease the conductivity and carrier mobility of the NTs, and could be removed when the sample was dried. Oxygen absorption also slightly decreased the conductivity of WS2 NTs.

Mathematical modeling of reflectance and intrinsic fluorescence for cancer detection in human pancreatic tissue

NASA Astrophysics Data System (ADS)

Wilson, Robert H.; Chandra, Malavika; Scheiman, James; Simeone, Diane; McKenna, Barbara; Purdy, Julianne; Mycek, Mary-Ann

2009-02-01

Pancreatic adenocarcinoma has a five-year survival rate of only 4%, largely because an effective procedure for early detection has not been developed. In this study, mathematical modeling of reflectance and fluorescence spectra was utilized to quantitatively characterize differences between normal pancreatic tissue, pancreatitis, and pancreatic adenocarcinoma. Initial attempts at separating the spectra of different tissue types involved dividing fluorescence by reflectance, and removing absorption artifacts by applying a "reverse Beer-Lambert factor" when the absorption coefficient was modeled as a linear combination of the extinction coefficients of oxy- and deoxy-hemoglobin. These procedures demonstrated the need for a more complete mathematical model to quantitatively describe fluorescence and reflectance for minimally-invasive fiber-based optical diagnostics in the pancreas.

[Study of the Detecting System of CH4 and SO2 Based on Spectral Absorption Method and UV Fluorescence Method].

PubMed

Wang, Shu-tao; Wang, Zhi-fang; Liu, Ming-hua; Wei, Meng; Chen, Dong-ying; Wang, Xing-long

2016-01-01

According to the spectral absorption characteristics of polluting gases and fluorescence characteristics, a time-division multiplexing detection system is designed. Through this system we can detect Methane (CH4) and sulfur dioxide (SO2) by using spectral absorption method and the SO2 can be detected by using UV fluorescence method. The system consists of four parts: a combination of a light source which could be switched, the common optical path, the air chamber and the signal processing section. The spectral absorption characteristics and fluorescence characteristics are measured first. Then the experiment of detecting CH4 and SO2 through spectral absorption method and the experiment of detecting SO2 through UV fluorescence method are conducted, respectively. Through measuring characteristics of spectral absorption and fluorescence, we get excitation wavelengths of SO2 and CH4 measured by spectral absorption method at the absorption peak are 280 nm and 1.64 μm, respectively, and the optimal excitation wavelength of SO2 measured by UV fluorescence method is 220 nm. we acquire the linear relation between the concentration of CH4 and relative intensity and the linear relation between the concentration of SO2 and output voltage after conducting the experiment of spectral absorption method, and the linearity are 98.7%, 99.2% respectively. Through the experiment of UV fluorescence method we acquire that the relation between the concentration of SO2 and the voltage is linear, and the linearity is 99.5%. Research shows that the system is able to be applied to detect the polluted gas by absorption spectrum method and UV fluorescence method. Combing these two measurement methods decreases the costing and the volume, and this system can also be used to measure the other gases. Such system has a certain value of application.

Valence-bond theory of linear Hubbard and Pariser-Parr-Pople models

NASA Astrophysics Data System (ADS)

Soos, Z. G.; Ramasesha, S.

1984-05-01

The ground and low-lying states of finite quantum-cell models with one state per site are obtained exactly through a real-space basis of valence-bond (VB) diagrams that explicitly conserve the total spin. Regular and alternating Hubbard and Pariser-Parr-Pople (PPP) chains and rings with Ne electrons on N(<=12) sites are extrapolated to infinite arrays. The ground-state energy and optical gap of regular U=4|t| Hubbard chains agree with exact results, suggesting comparable accuracy for alternating Hubbard and PPP models, but differ from mean-field results. Molecular PPP parameters describe well the excitations of finite polyenes, odd polyene ions, linear cyanine dyes, and slightly overestimate the absorption peaks in polyacetylene (CH)x. Molecular correlations contrast sharply with uncorrelated descriptions of topological solitons, which are modeled by regular polyene radicals and their ions for both wide and narrow alternation crossovers. Neutral solitons have no midgap absorption and negative spin densities, while the intensity of the in-gap excitation of charged solitons is not enhanced. The properties of correlated states in quantum-cell models with one valence state per site are discussed in the adiabatic limit for excited-state geometries and instabilities to dimerization.

Experimental and numerical investigation of a phase-only control mechanism in the linear intensity regime.

PubMed

Brühl, Elisabeth; Buckup, Tiago; Motzkus, Marcus

2018-06-07

Mechanisms and optimal experimental conditions in coherent control still intensely stimulate debates. In this work, a phase-only control mechanism in an open quantum system is investigated experimentally and numerically. Several parameterizations for femtosecond pulse shaping (combination of chirp and multipulses) are exploited in transient absorption of a prototype organic molecule to control population and vibrational coherence in ground and excited states. Experimental results are further numerically simulated and corroborated with a four-level density-matrix model, which reveals a phase-only control mechanism based on the interaction between the tailored phase of the excitation pulse and the induced transient absorption. In spite of performing experiment and numerical simulations in the linear regime of excitation, the control effect amplitude depends non-linearly on the excitation energy and is explained as a pump-dump control mechanism. No evidence of single-photon control is observed with the model. Moreover, our results also show that the control effect on the population and vibrational coherence is highly dependent on the spectral detuning of the excitation spectrum. Contrary to the popular belief in coherent control experiments, spectrally resonant tailored excitation will lead to the control of the excited state only for very specific conditions.

New styryl phenanthroline derivatives as model D-π-A-π-D materials for non-linear optics.

PubMed

Bonaccorso, Carmela; Cesaretti, Alessio; Elisei, Fausto; Mencaroni, Letizia; Spalletti, Anna; Fortuna, Cosimo Gianluca

2018-04-27

Four novel push-pull systems combining a central phenanthroline acceptor moiety and two substituted benzene rings, as a part of the conjugated π-system between the donor and the acceptor moieties, have been synthetized through a straightforward and efficient one-step synthetic procedure. The chromophores display high fluorescence and a peculiar fluorosolvatochromic behavior. Ultrafast investigation by means of state-of-the-art femtosecond-resolved transient absorption and fluorescence up-conversion spectroscopies allowed the role of intramolecular charge transfer (ICT) states to be evidenced, also revealing the crucial role played by both the polarity and proticity of the medium on the excited state dynamics of the chromophores. The ICT processes, responsible for the solvatochromism, also lead to interesting non-linear optical (NLO) properties: namely great two photon absorption cross-sections (hundreds of GM), investigated by the Two Photon Excited Fluorescence (TPEF) technique, and large second order hyperpolarizability coefficients, estimated through a convenient solvatochromic method. These features thus make the investigated styryl phenanthroline molecules model D-π-A-π-D compounds for non-linear optical applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

System and method for 100% moisture and basis weight measurement of moving paper

DOEpatents

Hernandez, Jose E.; Koo, Jackson C.

2002-01-01

A system for characterizing a set of properties for a moving substance are disclosed. The system includes: a first near-infrared linear array; a second near-infrared linear array; a first filter transparent to a first absorption wavelength emitted by the moving substance and juxtaposed between the substance and the first array; a second filter blocking the first absorption wavelength emitted by the moving substance and juxtaposed between the substance and the second array; and a computational device for characterizing data from the arrays into information on a property of the substance. The method includes the steps of: filtering out a first absorption wavelength emitted by a substance; monitoring the first absorption wavelength with a first near-infrared linear array; blocking the first wavelength from reaching a second near-infrared linear array; and characterizing data from the arrays into information on a property of the substance.

A fast method to compute Three-Dimensional Infrared Radiative Transfer in non scattering medium

NASA Astrophysics Data System (ADS)

Makke, Laurent; Musson-Genon, Luc; Carissimo, Bertrand

2014-05-01

The Atmospheric Radiation field has seen the development of more accurate and faster methods to take into account absoprtion in participating media. Radiative fog appears with clear sky condition due to a significant cooling during the night, so scattering is left out. Fog formation modelling requires accurate enough method to compute cooling rates. Thanks to High Performance Computing, multi-spectral approach of Radiative Transfer Equation resolution is most often used. Nevertheless, the coupling of three-dimensionnal radiative transfer with fluid dynamics is very detrimental to the computational cost. To reduce the time spent in radiation calculations, the following method uses analytical absorption functions fitted by Sasamori (1968) on Yamamoto's charts (Yamamoto,1956) to compute a local linear absorption coefficient. By averaging radiative properties, this method eliminates the spectral integration. For an isothermal atmosphere, analytical calculations lead to an explicit formula between emissivities functions and linear absorption coefficient. In the case of cooling to space approximation, this analytical expression gives very accurate results compared to correlated k-distribution. For non homogeneous paths, we propose a two steps algorithm. One-dimensional radiative quantities and linear absorption coefficient are computed by a two-flux method. Then, three-dimensional RTE under the grey medium assumption is solved with the DOM. Comparisons with measurements of radiative quantities during ParisFOG field (2006) shows the cability of this method to handle strong vertical variations of pressure/temperature and gases concentrations.

Improved determination of particulate absorption from combined filter pad and PSICAM measurements.

PubMed

Lefering, Ina; Röttgers, Rüdiger; Weeks, Rebecca; Connor, Derek; Utschig, Christian; Heymann, Kerstin; McKee, David

2016-10-31

Filter pad light absorption measurements are subject to two major sources of experimental uncertainty: the so-called pathlength amplification factor, β, and scattering offsets, o, for which previous null-correction approaches are limited by recent observations of non-zero absorption in the near infrared (NIR). A new filter pad absorption correction method is presented here which uses linear regression against point-source integrating cavity absorption meter (PSICAM) absorption data to simultaneously resolve both β and the scattering offset. The PSICAM has previously been shown to provide accurate absorption data, even in highly scattering waters. Comparisons of PSICAM and filter pad particulate absorption data reveal linear relationships that vary on a sample by sample basis. This regression approach provides significantly improved agreement with PSICAM data (3.2% RMS%E) than previously published filter pad absorption corrections. Results show that direct transmittance (T-method) filter pad absorption measurements perform effectively at the same level as more complex geometrical configurations based on integrating cavity measurements (IS-method and QFT-ICAM) because the linear regression correction compensates for the sensitivity to scattering errors in the T-method. This approach produces accurate filter pad particulate absorption data for wavelengths in the blue/UV and in the NIR where sensitivity issues with PSICAM measurements limit performance. The combination of the filter pad absorption and PSICAM is therefore recommended for generating full spectral, best quality particulate absorption data as it enables correction of multiple errors sources across both measurements.

Solvent effects on the vibronic one-photon absorption profiles of dioxaborine heterocycles

NASA Astrophysics Data System (ADS)

Wang, Yan-Hua; Halik, Marcus; Wang, Chuan-Kui; Marder, Seth R.; Luo, Yi

2005-11-01

The vibronic profiles of one-photon absorption spectra of dioxaborine heterocycles in gas phase and solution have been calculated at the Hartree-Fock and density-functional-theory levels. The polarizable continuum model has been applied to simulate the solvent effect, while the linear coupling model is used to compute the Franck-Condon and Herzberg-Teller contributions. It is found that a good agreement between theory and experiment can be achieved when the solvent effect and electron correlation are taken into account simultaneously. For the first excited charge-transfer state, the maximum of its Herzberg-Teller profile is blueshifted from that of the Franck-Condon profile. The shifted energy is found to be around 0.2eV, which agrees well with the measured energy difference between two- and one-photon absorptions of the first excited state.

Reduction of interferences in graphite furnace atomic absorption spectrometry by multiple linear regression modelling

NASA Astrophysics Data System (ADS)

Grotti, Marco; Abelmoschi, Maria Luisa; Soggia, Francesco; Tiberiade, Christian; Frache, Roberto

2000-12-01

The multivariate effects of Na, K, Mg and Ca as nitrates on the electrothermal atomisation of manganese, cadmium and iron were studied by multiple linear regression modelling. Since the models proved to efficiently predict the effects of the considered matrix elements in a wide range of concentrations, they were applied to correct the interferences occurring in the determination of trace elements in seawater after pre-concentration of the analytes. In order to obtain a statistically significant number of samples, a large volume of the certified seawater reference materials CASS-3 and NASS-3 was treated with Chelex-100 resin; then, the chelating resin was separated from the solution, divided into several sub-samples, each of them was eluted with nitric acid and analysed by electrothermal atomic absorption spectrometry (for trace element determinations) and inductively coupled plasma optical emission spectrometry (for matrix element determinations). To minimise any other systematic error besides that due to matrix effects, accuracy of the pre-concentration step and contamination levels of the procedure were checked by inductively coupled plasma mass spectrometric measurements. Analytical results obtained by applying the multiple linear regression models were compared with those obtained with other calibration methods, such as external calibration using acid-based standards, external calibration using matrix-matched standards and the analyte addition technique. Empirical models proved to efficiently reduce interferences occurring in the analysis of real samples, allowing an improvement of accuracy better than for other calibration methods.

A fibre-coupled UHV-compatible variable angle reflection-absorption UV/visible spectrometer

NASA Astrophysics Data System (ADS)

Stubbing, J. W.; Salter, T. L.; Brown, W. A.; Taj, S.; McCoustra, M. R. S.

2018-05-01

We present a novel UV/visible reflection-absorption spectrometer for determining the refractive index, n, and thicknesses, d, of ice films. Knowledge of the refractive index of these films is of particular relevance to the astrochemical community, where they can be used to model radiative transfer and spectra of various regions of space. In order to make these models more accurate, values of n need to be recorded under astronomically relevant conditions, that is, under ultra-high vacuum (UHV) and cryogenic cooling. Several design considerations were taken into account to allow UHV compatibility combined with ease of use. The key design feature is a stainless steel rhombus coupled to an external linear drive (z-shift) allowing a variable reflection geometry to be achieved, which is necessary for our analysis. Test data for amorphous benzene ice are presented as a proof of concept, the film thickness, d, was found to vary linearly with surface exposure, and a value for n of 1.43 ± 0.07 was determined.

Comparison of linear and non-linear models for the adsorption of fluoride onto geo-material: limonite.

PubMed

Sahin, Rubina; Tapadia, Kavita

2015-01-01

The three widely used isotherms Langmuir, Freundlich and Temkin were examined in an experiment using fluoride (F⁻) ion adsorption on a geo-material (limonite) at four different temperatures by linear and non-linear models. Comparison of linear and non-linear regression models were given in selecting the optimum isotherm for the experimental results. The coefficient of determination, r², was used to select the best theoretical isotherm. The four Langmuir linear equations (1, 2, 3, and 4) are discussed. Langmuir isotherm parameters obtained from the four Langmuir linear equations using the linear model differed but they were the same when using the nonlinear model. Langmuir-2 isotherm is one of the linear forms, and it had the highest coefficient of determination (r² = 0.99) compared to the other Langmuir linear equations (1, 3 and 4) in linear form, whereas, for non-linear, Langmuir-4 fitted best among all the isotherms because it had the highest coefficient of determination (r² = 0.99). The results showed that the non-linear model may be a better way to obtain the parameters. In the present work, the thermodynamic parameters show that the absorption of fluoride onto limonite is both spontaneous (ΔG < 0) and endothermic (ΔH > 0). Scanning electron microscope and X-ray diffraction images also confirm the adsorption of F⁻ ion onto limonite. The isotherm and kinetic study reveals that limonite can be used as an adsorbent for fluoride removal. In future we can develop new technology for fluoride removal in large scale by using limonite which is cost-effective, eco-friendly and is easily available in the study area.

Population Pharmacokinetics of Rifapentine and Desacetyl Rifapentine in Healthy Volunteers: Nonlinearities in Clearance and Bioavailability

PubMed Central

Lu, Yanhui; Bliven-Sizemore, Erin; Weiner, Marc; Nuermberger, Eric; Burman, William; Dorman, Susan E.; Dooley, Kelly E.

2014-01-01

Rifapentine is under active investigation as a potent drug that may help shorten the tuberculosis (TB) treatment duration. A previous rifapentine dose escalation study with daily dosing indicated a possible decrease in bioavailability as the dose increased and an increase in clearance over time for rifapentine and its active metabolite, desacetyl rifapentine. This study aimed to assess the effects of increasing doses on rifapentine absorption and bioavailability and to evaluate the clearance changes over 14 days. A population analysis was performed with nonlinear mixed-effects modeling. Absorption, time-varying clearance, bioavailability, and empirical and semimechanistic autoinduction models were investigated. A one-compartment model linked to a transit compartment absorption model best described the data. The bioavailability of rifapentine decreased linearly by 2.5% for each 100-mg increase in dose. The autoinduction model suggested a dose-independent linear increase in clearance of the parent drug and metabolite over time from 1.2 and 3.1 liters · h−1, respectively, after a single dose to 2.2 and 5.0 liters · h−1, respectively, after 14 once-daily doses, with no plateau being reached by day 14. In clinical trial simulations using the final model, rifapentine demonstrated less-than-dose-proportional pharmacokinetics, but there was no plateau in exposures over the dose range tested (450 to 1,800 mg), and divided dosing increased exposures significantly. Thus, the proposed compartmental model incorporating daily dosing of rifapentine over a wide range of doses and time-related changes in bioavailability and clearance provides a useful tool for estimation of drug exposure that can be used to optimize rifapentine dosing for TB treatment. (This study has been registered at ClinicalTrials.gov under registration no. NCT01162486.) PMID:24614383

Optical absorption in planar graphene superlattice: The role of structural parameters

NASA Astrophysics Data System (ADS)

Azadi, L.; Shojaei, S.

2018-04-01

We theoretically studied the optically driven interband transitions in a planar graphene superlattices (PGSL) formed by patterning graphene sheet on laterally hetrostructured substrate as Sio2/hBN. A tunable optical transitions between minibands is observed based on engineering structural parameters. We derive analytically expression for optical absorption from two-band model. Considerable optical absorption is obtained for different ratios between widths of heterostructured substrate and is explained analytically from the view point of wavefunction engineering and miniband dispersion, in details. The role of different statuses of polarization as circular and linear are considered. Our study paves a way toward the control of optical properties of PGSLs to be implemented in optoelectronics devices.

Nonlinearly enhanced linear absorption under filamentation in mid-infrared (Conference Presentation)

NASA Astrophysics Data System (ADS)

Shipilo, Daniil; Panov, Nicolay; Andreeva, Vera; Kosareva, Olga G.; Saletski, Alexander M.; Xu, Huai-Liang; Polynkin, Pavel

2017-05-01

The mid-infrared OPCPA-based laser facilities have recently reached the critical power for self-focusing in air [1]. This ensures the demonstration of the major difference between the mid- and near-infrared filamentation in air: the odd optical harmonics, harshly suppressed by the material dispersion and phase-mismatch in the near-infrared (800 nm), gain reliable energies in the mid-infrared (3.9 µm) filament [1,2]. Another issue that makes mid-infrared filamentation different from the near-infrared one is a lot of molecular vibrational lines belonging to atmospheric constituents and located in the mid-infrared range [3]. As the result the mid-infrared region of interest becomes subdivided into the bands of normal and anomalous dispersion, the former of which leads to the pulse splitting in temporal domain, while the latter produces the confined light bullet. We simulate the 3.9-µm filamentation using Forward Maxwell equation. We include the tunnel ionization and transient photocurrent as the collapse arresting mechanism, which balances dynamically the instantaneous third-order medium response (similarly to 800-nm filamentation). The key feature that allows us to quantify the losses due to absorption bands is the accurate account of the complex linear absorption index. The absorption index obtained from Mathar model [3] is interpolated to the fine frequency grid (step of about 0.1 THz), and the refractive index is matched according to Kramers-Krönig relations [4]. If the initial Gaussian pulse has a center wavelength of 3.9 µm and a duration of 80 fs FWHM, the energy loss in the carbon dioxide (CO_2) absorption band at 4.3 µm is about 1% in the linear propagation regime. But when we take the 80-mJ pulse (about 3 critical powers for self-focusing), the Kerr-induced spectral broadening develops significantly before the clamping level of intensity is reached. In the collimated beam geometry about 2% of the initial pulse energy is absorbed on the CO_2 band before the filament is formed. In the developed filament all the partial losses due to plasma, harmonic generation and absorption on vibrational lines grow up rapidly with the propagation distance, and the absorption on vibrational lines overwhelms all the rest ones. Indeed the new mechanism is revealed - the linear absorption is enhanced by the nonlinear spectral broadening. Thus, the nonlinearly enhanced linear absorption (NELA) is formed. The rotational transitions are estimated to consume as much energy as the free electron generation mechanism [5], which is less than NELA for 3.9-µm filament. In conclusion, in the 3.9-µm filament the excitations of molecular absorption lines are estimated to provide the major optical losses in the atmosphere as compared with plasma and high-frequency conversion. [1] A. V. Mitrofanov et al., Sci. Rep. 5, 8368 (2015). [2] P. Panagiotopoulos et al., Nat. Photonics 9, 543 (2015). [3] R. J. Mathar, Appl. Opt. 43, 928 (2004). [4] N. A. Panov et al., Phys. Rev. A 94, 041801 (2016). [5] S. Zahedpour et al., Phys. Rev. Lett. 112, 143601 (2014).

High-resolution observations of low-luminosity gigahertz-peaked spectrum and compact steep-spectrum sources

NASA Astrophysics Data System (ADS)

Collier, J. D.; Tingay, S. J.; Callingham, J. R.; Norris, R. P.; Filipović, M. D.; Galvin, T. J.; Huynh, M. T.; Intema, H. T.; Marvil, J.; O'Brien, A. N.; Roper, Q.; Sirothia, S.; Tothill, N. F. H.; Bell, M. E.; For, B.-Q.; Gaensler, B. M.; Hancock, P. J.; Hindson, L.; Hurley-Walker, N.; Johnston-Hollitt, M.; Kapińska, A. D.; Lenc, E.; Morgan, J.; Procopio, P.; Staveley-Smith, L.; Wayth, R. B.; Wu, C.; Zheng, Q.; Heywood, I.; Popping, A.

2018-06-01

We present very long baseline interferometry observations of a faint and low-luminosity (L1.4 GHz < 1027 W Hz-1) gigahertz-peaked spectrum (GPS) and compact steep-spectrum (CSS) sample. We select eight sources from deep radio observations that have radio spectra characteristic of a GPS or CSS source and an angular size of θ ≲ 2 arcsec, and detect six of them with the Australian Long Baseline Array. We determine their linear sizes, and model their radio spectra using synchrotron self-absorption (SSA) and free-free absorption (FFA) models. We derive statistical model ages, based on a fitted scaling relation, and spectral ages, based on the radio spectrum, which are generally consistent with the hypothesis that GPS and CSS sources are young and evolving. We resolve the morphology of one CSS source with a radio luminosity of 10^{25} W Hz^{-1}, and find what appear to be two hotspots spanning 1.7 kpc. We find that our sources follow the turnover-linear size relation, and that both homogeneous SSA and an inhomogeneous FFA model can account for the spectra with observable turnovers. All but one of the FFA models do not require a spectral break to account for the radio spectrum, while all but one of the alternative SSA and power-law models do require a spectral break to account for the radio spectrum. We conclude that our low-luminosity sample is similar to brighter samples in terms of their spectral shape, turnover frequencies, linear sizes, and ages, but cannot test for a difference in morphology.

Power dependence of reflectivity of metallic films.

PubMed

Yeh, Y C; Stafsudd, O M

1976-01-01

The reflectivity of vacuum-deposited gold films on quartz glass substrates was studied as a function of 10.6-microm radiation power density. A simple linear model of the temperature dependence of the absorptivity of the gold film is developed. This temperature dependence is coupled with a three-dimensional heat flow analysis and fits the experimental data well. The absorptivity alpha is written as alpha(0)(1 + betaT) and the values of alpha(0) and beta are determined, respectively, as (0.88 +/- 0.01) x 10(-2) and 12 x 10(-4)/ degrees C.

Probabilistic modeling of percutaneous absorption for risk-based exposure assessments and transdermal drug delivery.

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

Ho, Clifford Kuofei

Chemical transport through human skin can play a significant role in human exposure to toxic chemicals in the workplace, as well as to chemical/biological warfare agents in the battlefield. The viability of transdermal drug delivery also relies on chemical transport processes through the skin. Models of percutaneous absorption are needed for risk-based exposure assessments and drug-delivery analyses, but previous mechanistic models have been largely deterministic. A probabilistic, transient, three-phase model of percutaneous absorption of chemicals has been developed to assess the relative importance of uncertain parameters and processes that may be important to risk-based assessments. Penetration routes through the skinmore » that were modeled include the following: (1) intercellular diffusion through the multiphase stratum corneum; (2) aqueous-phase diffusion through sweat ducts; and (3) oil-phase diffusion through hair follicles. Uncertainty distributions were developed for the model parameters, and a Monte Carlo analysis was performed to simulate probability distributions of mass fluxes through each of the routes. Sensitivity analyses using stepwise linear regression were also performed to identify model parameters that were most important to the simulated mass fluxes at different times. This probabilistic analysis of percutaneous absorption (PAPA) method has been developed to improve risk-based exposure assessments and transdermal drug-delivery analyses, where parameters and processes can be highly uncertain.« less

Molding of Plasmonic Resonances in Metallic Nanostructures: Dependence of the Non-Linear Electric Permittivity on System Size and Temperature

PubMed Central

Alabastri, Alessandro; Tuccio, Salvatore; Giugni, Andrea; Toma, Andrea; Liberale, Carlo; Das, Gobind; De Angelis, Francesco; Di Fabrizio, Enzo; Zaccaria, Remo Proietti

2013-01-01

In this paper, we review the principal theoretical models through which the dielectric function of metals can be described. Starting from the Drude assumptions for intraband transitions, we show how this model can be improved by including interband absorption and temperature effect in the damping coefficients. Electronic scattering processes are described and included in the dielectric function, showing their role in determining plasmon lifetime at resonance. Relationships among permittivity, electric conductivity and refractive index are examined. Finally, a temperature dependent permittivity model is presented and is employed to predict temperature and non-linear field intensity dependence on commonly used plasmonic geometries, such as nanospheres. PMID:28788366

An analytical solution for percutaneous drug absorption: application and removal of the vehicle.

PubMed

Simon, L; Loney, N W

2005-10-01

The methods of Laplace transform were used to solve a mathematical model developed for percutaneous drug absorption. This model includes application and removal of the vehicle from the skin. A system of two linear partial differential equations was solved for the application period. The concentration of the medicinal agent in the skin at the end of the application period was used as the initial condition to determine the distribution of the drug in the skin following instantaneous removal of the vehicle. The influences of the diffusion and partition coefficients, clearance factor and vehicle layer thickness on the amount of drug in the vehicle and the skin were discussed.

Analysis of ammonia separation from purge gases in microporous hollow fiber membrane contactors.

PubMed

Karami, M R; Keshavarz, P; Khorram, M; Mehdipour, M

2013-09-15

In this study, a mathematical model was developed to analyze the separation of ammonia from the purge gas of ammonia plants using microporous hollow fiber membrane contactors. A numerical procedure was proposed to solve the simultaneous linear and non linear partial differential equations in the liquid, membrane and gas phases for non-wetted or partially wetted conditions. An equation of state was applied in the model instead of Henry's law because of high solubility of ammonia in water. The experimental data of CO₂-water system in the literature was used to validate the model due to the lack of data for ammonia-water system. The model showed that the membrane contactor can separate ammonia very effectively and with recoveries higher than 99%. SEM images demonstrated that ammonia caused some micro-cracks on the surfaces of polypropylene fibers, which could be an indication of partial wetting of membrane in long term applications. However, the model results revealed that the membrane wetting did not have significant effect on the absorption of ammonia because of very high solubility of ammonia in water. It was also found that the effect of gas velocity on the absorption flux was much more than the effect of liquid velocity. Copyright © 2013 Elsevier B.V. All rights reserved.

An Alternative Derivation of the Energy Levels of the "Particle on a Ring" System

NASA Astrophysics Data System (ADS)

Vincent, Alan

1996-10-01

All acceptable wave functions must be continuous mathematical functions. This criterion limits the acceptable functions for a particle in a linear 1-dimensional box to sine functions. If, however, the linear box is bent round into a ring, acceptable wave functions are those which are continuous at the 'join'. On this model some acceptable linear functions become unacceptable for the ring and some unacceptable cosine functions become acceptable. This approach can be used to produce a straightforward derivation of the energy levels and wave functions of the particle on a ring. These simple wave mechanical systems can be used as models of linear and cyclic delocalised systems such as conjugated hydrocarbons or the benzene ring. The promotion energy of an electron can then be used to calculate the wavelength of absorption of uv light. The simple model gives results of the correct order of magnitude and shows that, as the chain length increases, the uv maximum moves to longer wavelengths, as found experimentally.

Dermal uptake of petroleum substances.

PubMed

Jakasa, Ivone; Kezic, Sanja; Boogaard, Peter J

2015-06-01

Petroleum products are complex substances comprising varying amounts of linear and branched alkanes, alkenes, cycloalkanes, and aromatics which may penetrate the skin at different rates. For proper interpretation of toxic hazard data, understanding their percutaneous absorption is of paramount importance. The extent and significance of dermal absorption of eight petroleum substances, representing different classes of hydrocarbons, was evaluated. Literature data on the steady-state flux and permeability coefficient of these substances were evaluated and compared to those predicted by mathematical models. Reported results spanned over 5-6 orders of magnitude and were largely dependent on experimental conditions in particular on the type of the vehicle used. In general, aromatic hydrocarbons showed higher dermal absorption than more lipophilic aliphatics with similar molecular weight. The results showed high variation and were largely influenced by experimental conditions emphasizing the need of performing the experiments under "in use" scenario. The predictive models overestimated experimental absorption. The overall conclusion is that, based on the observed percutaneous penetration data, dermal exposure to petroleum hydrocarbons, even of aromatics with highest dermal absorption is limited and highly unlikely to be associated with health risks under real use scenarios. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Chemometric analysis of correlations between electronic absorption characteristics and structural and/or physicochemical parameters for ampholytic substances of biological and pharmaceutical relevance.

PubMed

Judycka-Proma, U; Bober, L; Gajewicz, A; Puzyn, T; Błażejowski, J

2015-03-05

Forty ampholytic compounds of biological and pharmaceutical relevance were subjected to chemometric analysis based on unsupervised and supervised learning algorithms. This enabled relations to be found between empirical spectral characteristics derived from electronic absorption data and structural and physicochemical parameters predicted by quantum chemistry methods or phenomenological relationships based on additivity rules. It was found that the energies of long wavelength absorption bands are correlated through multiparametric linear relationships with parameters reflecting the bulkiness features of the absorbing molecules as well as their nucleophilicity and electrophilicity. These dependences enable the quantitative analysis of spectral features of the compounds, as well as a comparison of their similarities and certain pharmaceutical and biological features. Three QSPR models to predict the energies of long-wavelength absorption in buffers with pH=2.5 and pH=7.0, as well as in methanol, were developed and validated in this study. These models can be further used to predict the long-wavelength absorption energies of untested substances (if they are structurally similar to the training compounds). Copyright © 2014 Elsevier B.V. All rights reserved.

Combination strategies for enhancing transdermal absorption of sumatriptan through skin.

PubMed

Femenía-Font, A; Balaguer-Fernández, C; Merino, V; López-Castellano, A

2006-10-12

The aim of the present work was to characterize in vitro sumatriptan transdermal absorption through human skin and to investigate the effect of chemical enhancers and iontophoresis applied both individually and in combination. A secondary objective was to compare the results obtained with those in porcine skin under the same conditions, in order to characterize the relationship between the two skin models and validate the porcine model for further research use. Transdermal flux of sumatriptan was determined in different situations: (a) after pre-treatment of human skin with ethanol, Azone (1-dodecyl-azacycloheptan-2-one), polyethylene glycol 600 and R-(+)-limonene, (b) under iontophoresis application (0.25 and 0.50 mA/cm(2)) and (c) combining chemical pre-treatment and iontophoresis at 0.50 mA/cm(2) current density. All the strategies applied enhance sumatriptan transdermal absorption. A linear relationship between the fluxes in the two skin models in the different conditions assayed can be established. The combination of both strategies, Azone and iontophoresis, proved to be the most effective of the techniques for enhancing the transdermal absorption of sumatriptan. The flux obtained with porcine skin in vitro is approximately double that obtained in human skin.

A study of sound absorption by street canyon boundaries and asphalt rubber concrete pavement

NASA Astrophysics Data System (ADS)

Drysdale, Graeme Robert

A sound field model, based on a classical diffusion equation, is extended to account for sound absorption in a diffusion parameter used to model sound energy in a narrow street canyon. The model accounts for a single sound absorption coefficient, separate accommodation coefficients and a combination of separate absorption and accommodation coefficients from parallel canyon walls. The new expressions are compared to the original formula through numerical simulations to reveal the effect of absorption on sound diffusion. The newly established analytical formulae demonstrate satisfactory agreement with their predecessor under perfect reflection. As well, the influence of the extended diffusion parameter on normalized sound pressure levels in a narrow street canyon is in agreement with experimental data. The diffusion parameters are used to model sound energy density in a street canyon as a function of the sound absorption coefficient of the street canyon walls. The acoustic and material properties of conventional and asphalt rubber concrete (ARC) pavement are also studied to assess how the crumb rubber content influences sound absorption in street canyons. The porosity and absolute permeability of compacted specimens of asphalt rubber concrete are measured and compared to their normal and random incidence sound absorption coefficients as a function of crumb rubber content in the modified binder. Nonlinear trends are found between the sound absorption coefficients, porosity and absolute permeability of the compacted specimens and the percentage of crumb rubber in the modified binders. The cross-sectional areas of the air voids on the surfaces of the compacted specimens are measured using digital image processing techniques and a linear relationship is obtained between the average void area and crumb rubber content. The measured material properties are used to construct an empirical formula relating the average porosity, normal incidence noise reduction coefficients and percentage of crumb rubber in the modified binder of the compacted specimens.

Modeling the reflectance of CO2 frost with new optical constants: Application to Martian south polar cap spectra

NASA Technical Reports Server (NTRS)

Hansen, Gary B.; Martin, Terry Z.

1993-01-01

New measurements of the absorption coefficients of CO2 ice, in most of the spectral range 0.2 to 3.9 microns where absorption coefficients are below 1.5 per cm, have recently been made. Although these measurements are preliminary, they contain spectral detail not seen previously in the literature. Therefore, it is useful to combine these new data with older data from spectral regions of stronger absorption and reformulate models of the albedo or reflectance of CO2 frost. These models can then be adjusted in an attempt to match measurements of Martian polar deposits, such as the set of spectra returned by the IRS instrument on Mariner 7 (1969). The new absorption coefficients of CO2 ice were measured on several samples of 41-mm thickness at 150-155 K. A portion of the spectrum from 1.9 to 3.9 microns wavelength is shown in the form of imaginary coefficient of refraction ( = linear absorption x wavelength / 4 pi). The data above 3x10(exp -5) are obtained from, except for the absorption line at 3.32 micrometers, which is extrapolated in a way that is consistent with laboratory frost measurements, but the peak level is still highly uncertain. This new imagary coefficient, combined with the real coefficient, can be immediately applied to the models for hemispherical albedo, resulting in markedly different results from those in that study. The results for an infinite optical depth layer and solar incidence of 60 degrees are plotted for a range of mean particle radii from 0.03 to 3 mm.

Nonlinear optical transmittance of semiconductors in the presence of high-intensity radiation fields

NASA Astrophysics Data System (ADS)

Dong, H. M.; Han, F. W.; Duan, Y. F.; Huang, F.; Liu, J. L.

2018-04-01

We developed a systematic theoretical study of nonlinear optical properties of semiconductors. The eight-band kṡp model and the energy-balance equation are employed to calculate the transmission and optical absorption coefficients in the presence of both the linear one-photon absorption and the nonlinear two-photon absorption (TPA) processes. A substantial reduction of the optical transmittance far below the band-gap can be observed under relatively high-intensity radiation fields due to the nonlinear TPA. The TPA-induced optical transmittance decreases with increasing intensity of the radiation fields. Our theoretical results are in line with those observed experimentally. The theoretical approach can be applied to understand the nonlinear optical properties of semiconductors under high-field conditions.

Frequency and Thermal Behavior of Acoustic Absorption in ɛ-GaSe Crystals

NASA Astrophysics Data System (ADS)

Dzhafarova, S. Z.

2018-04-01

The paper presents results of measuring acoustic absorption in ɛ-GaSe crystals. The absorption of a longitudinal wave which propagates normal to the crystal layers, quadratically depends on frequency. However, it does not depend on temperature, i.e. it displays an Akhiezer behavior although its absolute value considerably exceeds the expected. The analysis of the frequency and thermal behavior of absorption of piezoelectric waves propagating along the layers, includes the deduction of contribution made by the interaction between waves and charge carriers. This analysis shows the linear dependence between the lattice absorption of these waves and the frequency. The linear frequency and weak temperature dependences of the acoustic absorption characterize the additional ultra-Akhiezer absorption in glasses. In our case, it can be caused by various polytypes forming in GaSe crystals which differ merely in a mutual arrangement of layers.

Efficient Algorithms for Estimating the Absorption Spectrum within Linear Response TDDFT

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

Brabec, Jiri; Lin, Lin; Shao, Meiyue

We present two iterative algorithms for approximating the absorption spectrum of molecules within linear response of time-dependent density functional theory (TDDFT) framework. These methods do not attempt to compute eigenvalues or eigenvectors of the linear response matrix. They are designed to approximate the absorption spectrum as a function directly. They take advantage of the special structure of the linear response matrix. Neither method requires the linear response matrix to be constructed explicitly. They only require a procedure that performs the multiplication of the linear response matrix with a vector. These methods can also be easily modified to efficiently estimate themore » density of states (DOS) of the linear response matrix without computing the eigenvalues of this matrix. We show by computational experiments that the methods proposed in this paper can be much more efficient than methods that are based on the exact diagonalization of the linear response matrix. We show that they can also be more efficient than real-time TDDFT simulations. We compare the pros and cons of these methods in terms of their accuracy as well as their computational and storage cost.« less

Sound absorption of a porous material with a perforated facing at high sound pressure levels

NASA Astrophysics Data System (ADS)

Peng, Feng

2018-07-01

A semi-empirical model is proposed to predict the sound absorption of an acoustical unit consisting of a rigid-porous material layer with a perforated facing under the normal incidence at high sound pressure levels (SPLs) of pure tones. The nonlinearity of the perforated facing and the porous material, and the interference between them are considered in the model. The sound absorptive performance of the acoustical unit is tested at different incident SPLs and in three typical configurations: 1) when the perforated panel (PP) directly contacts with the porous layer, 2) when the PP is separated from the porous layer by an air gap and 3) when an air cavity is set between the porous material and the hard backing wall. The test results agree well with the corresponding theoretical predictions. Moreover, the results show that the interference effect is correlated to the width of the air gap between the PP and the porous layer, which alters not only the linear acoustic impedance but also the nonlinear acoustic impedance of the unit and hence its sound absorptive properties.

Specific absorption and backscatter coefficient signatures in southeastern Atlantic coastal waters

NASA Astrophysics Data System (ADS)

Bostater, Charles R., Jr.

1998-12-01

Measurements of natural water samples in the field and laboratory of hyperspectral signatures of total absorption and reflectance were obtained using long pathlength absorption systems (50 cm pathlength). Water was sampled in Indian River Lagoon, Banana River and Port Canaveral, Florida. Stations were also occupied in near coastal waters out to the edge of the Gulf Stream in the vicinity of Kennedy Space Center, Florida and estuarine waters along Port Royal Sound and along the Beaufort River tidal area in South Carolina. The measurements were utilized to calculate natural water specific absorption, total backscatter and specific backscatter optical signatures. The resulting optical cross section signatures suggest different models are needed for the different water types and that the common linear model may only appropriate for coastal and oceanic water types. Mean particle size estimates based on the optical cross section, suggest as expected, that particle size of oceanic particles are smaller than more turbid water types. The data discussed and presented are necessary for remote sensing applications of sensors as well as for development and inversion of remote sensing algorithms.

Intracavity widely-tunable quantum cascade laser spectrometer.

PubMed

Brownsword, Richard A; Weidmann, Damien

2013-01-28

A grating-tuned extended-cavity quantum cascade laser (EC-QCL) operating around 7.6 µm was assembled to provide a tuning range of ~80 cm⁻¹ with output power of up to 30 mW. The EC-QCL output power was shown to be sensitive to the presence of a broadband absorbing gas mixture contained in a 2-cm cell introduced inside the extended laser cavity. In this arrangement, enhanced absorption relative to single path linear absorption was observed. To describe observations, in the QCL rate-equation model was included the effect of intracavity absorption. The model qualitatively reproduced the absorption behavior observed. In addition, it allowed quantitative measurements of mixing ratio of dimethyl carbonate, which was used as a test broadband absorber. A number of alternative data acquisition and reduction methods were identified. As the intracavity absorber modifies the laser threshold current, phase-sensitive detection of the laser threshold current was found to be the most attractive way to determine the mixing ratio of the absorber. The dimethyl carbonate detection limit was estimated to be 1.4 ppmv for 10 second integration. Limitations and possible ways of improvements were also identified.

Discriminating the Mineralogical Composition in Drill Cuttings Based on Absorption Spectra in the Terahertz Range.

PubMed

Miao, Xinyang; Li, Hao; Bao, Rima; Feng, Chengjing; Wu, Hang; Zhan, Honglei; Li, Yizhang; Zhao, Kun

2017-02-01

Understanding the geological units of a reservoir is essential to the development and management of the resource. In this paper, drill cuttings from several depths from an oilfield were studied using terahertz time domain spectroscopy (THz-TDS). Cluster analysis (CA) and principal component analysis (PCA) were employed to classify and analyze the cuttings. The cuttings were clearly classified based on CA and PCA methods, and the results were in agreement with the lithology. Moreover, calcite and dolomite have stronger absorption of a THz pulse than any other minerals, based on an analysis of the PC1 scores. Quantitative analyses of minor minerals were also realized by building a series of linear and non-linear models between contents and PC2 scores. The results prove THz technology to be a promising means for determining reservoir lithology as well as other properties, which will be a significant supplementary method in oil fields.

Algebraic approach to electronic spectroscopy and dynamics.

PubMed

Toutounji, Mohamad

2008-04-28

Lie algebra, Zassenhaus, and parameter differentiation techniques are utilized to break up the exponential of a bilinear Hamiltonian operator into a product of noncommuting exponential operators by the virtue of the theory of Wei and Norman [J. Math. Phys. 4, 575 (1963); Proc. Am. Math. Soc., 15, 327 (1964)]. There are about three different ways to find the Zassenhaus exponents, namely, binomial expansion, Suzuki formula, and q-exponential transformation. A fourth, and most reliable method, is provided. Since linearly displaced and distorted (curvature change upon excitation/emission) Hamiltonian and spin-boson Hamiltonian may be classified as bilinear Hamiltonians, the presented algebraic algorithm (exponential operator disentanglement exploiting six-dimensional Lie algebra case) should be useful in spin-boson problems. The linearly displaced and distorted Hamiltonian exponential is only treated here. While the spin-boson model is used here only as a demonstration of the idea, the herein approach is more general and powerful than the specific example treated. The optical linear dipole moment correlation function is algebraically derived using the above mentioned methods and coherent states. Coherent states are eigenvectors of the bosonic lowering operator a and not of the raising operator a(+). While exp(a(+)) translates coherent states, exp(a(+)a(+)) operation on coherent states has always been a challenge, as a(+) has no eigenvectors. Three approaches, and the results, of that operation are provided. Linear absorption spectra are derived, calculated, and discussed. The linear dipole moment correlation function for the pure quadratic coupling case is expressed in terms of Legendre polynomials to better show the even vibronic transitions in the absorption spectrum. Comparison of the present line shapes to those calculated by other methods is provided. Franck-Condon factors for both linear and quadratic couplings are exactly accounted for by the herein calculated linear absorption spectra. This new methodology should easily pave the way to calculating the four-point correlation function, F(tau(1),tau(2),tau(3),tau(4)), of which the optical nonlinear response function may be procured, as evaluating F(tau(1),tau(2),tau(3),tau(4)) is only evaluating the optical linear dipole moment correlation function iteratively over different time intervals, which should allow calculating various optical nonlinear temporal/spectral signals.

Synthesis and spectral properties of Methyl-Phenyl pyrazoloquinoxaline fluorescence emitters: Experiment and DFT/TDDFT calculations

NASA Astrophysics Data System (ADS)

Gąsiorski, P.; Matusiewicz, M.; Gondek, E.; Uchacz, T.; Wojtasik, K.; Danel, A.; Shchur, Ya.; Kityk, A. V.

2018-01-01

Paper reports the synthesis and spectroscopic studies of two novel 1-Methyl-3-phenyl-1H-pyrazolo[3,4-b]quinoxaline (PQX) derivatives with 6-substituted methyl (MeMPPQX) or methoxy (MeOMPPQX) side groups. The optical absorption and fluorescence emission spectra are recorded in solvents of different polarity. Steady state and time-resolved spectroscopy provide photophysical characterization of MeMPPQX and MeOMPPQX dyes as materials for potential luminescence or electroluminescence applications. Measured optical absorption and fluorescence emission spectra are compared with quantum-chemical DFT/TDDFT calculations using long-range corrected xc-functionals, LRC-BLYP and CAM-B3LYP in combination with self-consistent reaction field model based on linear response (LR), state specific (SS) or corrected linear response (CLR) solvations. Performances of relevant theoretical models and approaches are compared. The reparameterized LRC-BLYP functional (ω = 0.231 Bohr-1) in combination with CLR solvation provides most accurate prediction of both excitation and emission energies. The MeMPPQX and MeOMPPQX dyes represent efficient fluorescence emitters in blue-green region of the visible spectra.

[Extracting THz absorption coefficient spectrum based on accurate determination of sample thickness].

PubMed

Li, Zhi; Zhang, Zhao-hui; Zhao, Xiao-yan; Su, Hai-xia; Yan, Fang

2012-04-01

Extracting absorption spectrum in THz band is one of the important aspects in THz applications. Sample's absorption coefficient has a complex nonlinear relationship with its thickness. However, as it is not convenient to measure the thickness directly, absorption spectrum is usually determined incorrectly. Based on the method proposed by Duvillaret which was used to precisely determine the thickness of LiNbO3, the approach to measuring the absorption coefficient spectra of glutamine and histidine in frequency range from 0.3 to 2.6 THz(1 THz = 10(12) Hz) was improved in this paper. In order to validate the correctness of this absorption spectrum, we designed a series of experiments to compare the linearity of absorption coefficient belonging to one kind amino acid in different concentrations. The results indicate that as agreed by Lambert-Beer's Law, absorption coefficient spectrum of amino acid from the improved algorithm performs better linearity with its concentration than that from the common algorithm, which can be the basis of quantitative analysis in further researches.

Correlation between octanol/water and liposome/water distribution coefficients and drug absorption of a set of pharmacologically active compounds.

PubMed

Esteves, Freddy; Moutinho, Carla; Matos, Carla

2013-06-01

Absorption and consequent therapeutic action are key issues in the development of new drugs by the pharmaceutical industry. In this sense, different models can be used to simulate biological membranes to predict the absorption of a drug. This work compared the octanol/water and the liposome/water models. The parameters used to relate the two models were the distribution coefficients between liposomes and water and octanol and water and the fraction of drug orally absorbed. For this study, 66 drugs were collected from literature sources and divided into four groups according to charge and ionization degree: neutral; positively charged; negatively charged; and partially ionized/zwitterionic. The results show a satisfactory linear correlation between the octanol and liposome systems for the neutral (R²= 0.9324) and partially ionized compounds (R²= 0.9367), contrary to the positive (R²= 0.4684) and negatively charged compounds (R²= 0.1487). In the case of neutral drugs, results were similar in both models because of the high fraction orally absorbed. However, for the charged drugs (positively, negatively, and partially ionized/zwitterionic), the liposomal model has a more-appropriate correlation with absorption than the octanol model. These results show that the neutral compounds only interact with membranes through hydrophobic bonds, whereas charged drugs favor electrostatic interactions established with the liposomes. With this work, we concluded that liposomes may be a more-appropriate biomembrane model than octanol for charged compounds.

The application of feature selection to the development of Gaussian process models for percutaneous absorption.

PubMed

Lam, Lun Tak; Sun, Yi; Davey, Neil; Adams, Rod; Prapopoulou, Maria; Brown, Marc B; Moss, Gary P

2010-06-01

The aim was to employ Gaussian processes to assess mathematically the nature of a skin permeability dataset and to employ these methods, particularly feature selection, to determine the key physicochemical descriptors which exert the most significant influence on percutaneous absorption, and to compare such models with established existing models. Gaussian processes, including automatic relevance detection (GPRARD) methods, were employed to develop models of percutaneous absorption that identified key physicochemical descriptors of percutaneous absorption. Using MatLab software, the statistical performance of these models was compared with single linear networks (SLN) and quantitative structure-permeability relationships (QSPRs). Feature selection methods were used to examine in more detail the physicochemical parameters used in this study. A range of statistical measures to determine model quality were used. The inherently nonlinear nature of the skin data set was confirmed. The Gaussian process regression (GPR) methods yielded predictive models that offered statistically significant improvements over SLN and QSPR models with regard to predictivity (where the rank order was: GPR > SLN > QSPR). Feature selection analysis determined that the best GPR models were those that contained log P, melting point and the number of hydrogen bond donor groups as significant descriptors. Further statistical analysis also found that great synergy existed between certain parameters. It suggested that a number of the descriptors employed were effectively interchangeable, thus questioning the use of models where discrete variables are output, usually in the form of an equation. The use of a nonlinear GPR method produced models with significantly improved predictivity, compared with SLN or QSPR models. Feature selection methods were able to provide important mechanistic information. However, it was also shown that significant synergy existed between certain parameters, and as such it was possible to interchange certain descriptors (i.e. molecular weight and melting point) without incurring a loss of model quality. Such synergy suggested that a model constructed from discrete terms in an equation may not be the most appropriate way of representing mechanistic understandings of skin absorption.

Relationships between visual field sensitivity and spectral absorption properties of the neuroretinal rim in glaucoma by multispectral imaging.

PubMed

Denniss, Jonathan; Schiessl, Ingo; Nourrit, Vincent; Fenerty, Cecilia H; Gautam, Ramesh; Henson, David B

2011-11-07

To investigate the relationship between neuroretinal rim (NRR) differential light absorption (DLA, a measure of spectral absorption properties) and visual field (VF) sensitivity in primary open-angle glaucoma (POAG). Patients diagnosed with (n = 22) or suspected of having (n = 7) POAG were imaged with a multispectral system incorporating a modified digital fundus camera, 250-W tungsten-halogen lamp, and fast-tuneable liquid crystal filter. Five images were captured sequentially within 1.0 second at wavelengths selected according to absorption properties of hemoglobin (range, 570-610 nm), and a Beer-Lambert law model was used to produce DLA maps of residual NRR from the images. Patients also underwent VF testing. Differences in NRR DLA in vertically opposing 180° and 45° sectors either side of the horizontal midline were compared with corresponding differences in VF sensitivity on both decibel and linear scales by Spearman's rank correlation. The decibel VF sensitivity scale showed significant relationships between superior-inferior NRR DLA difference and sensitivity differences between corresponding VF areas in 180° NRR sectors (Spearman ρ = 0.68; P < 0.0001), superior-/inferior-temporal 45° NRR sectors (ρ = 0.57; P < 0.002), and superior-/inferior-nasal 45° NRR sectors (ρ = 0.59; P < 0.001). Using the linear VF sensitivity scale significant relationships were found for 180° NRR sectors (ρ = 0.62; P < 0.0002) and superior-inferior-nasal 45° NRR sectors (ρ = 0.53; P < 0.002). No significant difference was found between correlations using the linear or decibel VF sensitivity scales. Residual NRR DLA is related to VF sensitivity in POAG. Multispectral imaging may provide clinically important information for the assessment and management of POAG.

Relationships between Visual Field Sensitivity and Spectral Absorption Properties of the Neuroretinal Rim in Glaucoma by Multispectral Imaging

PubMed Central

Denniss, Jonathan; Schiessl, Ingo; Nourrit, Vincent; Fenerty, Cecilia H.; Gautam, Ramesh; Henson, David B.

2011-01-01

Purpose. To investigate the relationship between neuroretinal rim (NRR) differential light absorption (DLA, a measure of spectral absorption properties) and visual field (VF) sensitivity in primary open-angle glaucoma (POAG). Methods. Patients diagnosed with (n = 22) or suspected of having (n = 7) POAG were imaged with a multispectral system incorporating a modified digital fundus camera, 250-W tungsten-halogen lamp, and fast-tuneable liquid crystal filter. Five images were captured sequentially within 1.0 second at wavelengths selected according to absorption properties of hemoglobin (range, 570–610 nm), and a Beer-Lambert law model was used to produce DLA maps of residual NRR from the images. Patients also underwent VF testing. Differences in NRR DLA in vertically opposing 180° and 45° sectors either side of the horizontal midline were compared with corresponding differences in VF sensitivity on both decibel and linear scales by Spearman's rank correlation. Results. The decibel VF sensitivity scale showed significant relationships between superior–inferior NRR DLA difference and sensitivity differences between corresponding VF areas in 180° NRR sectors (Spearman ρ = 0.68; P < 0.0001), superior-/inferior-temporal 45° NRR sectors (ρ = 0.57; P < 0.002), and superior-/inferior-nasal 45° NRR sectors (ρ = 0.59; P < 0.001). Using the linear VF sensitivity scale significant relationships were found for 180° NRR sectors (ρ = 0.62; P < 0.0002) and superior–inferior–nasal 45° NRR sectors (ρ = 0.53; P < 0.002). No significant difference was found between correlations using the linear or decibel VF sensitivity scales. Conclusions. Residual NRR DLA is related to VF sensitivity in POAG. Multispectral imaging may provide clinically important information for the assessment and management of POAG. PMID:21980002

[Research on Oil Sands Spectral Characteristics and Oil Content by Remote Sensing Estimation].

PubMed

You, Jin-feng; Xing, Li-xin; Pan, Jun; Shan, Xuan-long; Liang, Li-heng; Fan, Rui-xue

2015-04-01

Visible and near infrared spectroscopy is a proven technology to be widely used in identification and exploration of hydrocarbon energy sources with high spectral resolution for detail diagnostic absorption characteristics of hydrocarbon groups. The most prominent regions for hydrocarbon absorption bands are 1,740-1,780, 2,300-2,340 and 2,340-2,360 nm by the reflectance of oil sands samples. These spectral ranges are dominated by various C-H overlapping overtones and combination bands. Meanwhile, there is relatively weak even or no absorption characteristics in the region from 1,700 to 1,730 nm in the spectra of oil sands samples with low bitumen content. With the increase in oil content, in the spectral range of 1,700-1,730 nm the obvious hydrocarbon absorption begins to appear. The bitumen content is the critical parameter for oil sands reserves estimation. The absorption depth was used to depict the response intensity of the absorption bands controlled by first-order overtones and combinations of the various C-H stretching and bending fundamentals. According to the Pearson and partial correlation relationships of oil content and absorption depth dominated by hydrocarbon groups in 1,740-1,780, 2,300-2,340 and 2,340-2,360 nm wavelength range, the scheme of association mode was established between the intensity of spectral response and bitumen content, and then unary linear regression(ULR) and partial least squares regression (PLSR) methods were employed to model the equation between absorption depth attributed to various C-H bond and bitumen content. There were two calibration equations in which ULR method was employed to model the relationship between absorption depth near 2,350 nm region and bitumen content and PLSR method was developed to model the relationship between absorption depth of 1,758, 2,310, 2,350 nm regions and oil content. It turned out that the calibration models had good predictive ability and high robustness and they could provide the scientific basis for rapid estimation of oil content in oil sands in future.

Two-photon absorption in arsenic sulfide glasses

NASA Astrophysics Data System (ADS)

Chunaev, D. S.; Snopatin, G. E.; Plotnichenko, V. G.; Karasik, A. Ya.

2016-10-01

The two-photon absorption coefficient of 1047-{\\text{nm}} light in {\\text{As}}35{\\text{S}}65 chalcogenide glass has been measured. CW probe radiation has been used to observe the linear absorption in glass induced by two-photon excitation. The induced absorption lifetime was found to be ∼ 2 {\\text{ms}}.

Spectroscopy as a tool for geochemical modeling

NASA Astrophysics Data System (ADS)

Kopacková, Veronika; Chevrel, Stephane; Bourguignon, Anna

2011-11-01

This study focused on testing the feasibility of up-scaling ground-spectra-derived parameters to HyMap spectral and spatial resolution and whether they could be further used for a quantitative determination of the following geochemical parameters: As, pH and Clignite content. The study was carried on the Sokolov lignite mine as it represents a site with extreme material heterogeneity and high heavy-metal gradients. A new segmentation method based on the unique spectral properties of acid materials was developed and applied to the multi-line HyMap image data corrected for BRDF and atmospheric effects. The quantitative parameters were calculated for multiple absorption features identified within the VIS/VNIR/SWIR regions (simple band ratios, absorption band depth and quantitative spectral feature parameters calculated dynamically for each spectral measurement (centre of the absorption band (λ), depth of the absorption band (D), width of the absorption band (Width), and asymmetry of the absorption band (S)). The degree of spectral similarity between the ground and image spectra was assessed. The linear models for pH, As and the Clignite content of the whole and segmented images were cross-validated on the selected homogenous areas defined in the HS images using ground truth. For the segmented images, reliable results were achieved as follows: As: R2=0.84, Clignite: R2=0.88 and R2 pH: R2= 0.57.

Quantification of Concentration of Microalgae Anabaena Cylindrica, Coal-bed Methane Water Isolates Nannochloropsis Gaditana and PW-95 in Aquatic Solutions through Hyperspectral Reflectance Measurement and Analytical Model Establishment

NASA Astrophysics Data System (ADS)

Zhou, Z.; Zhou, X.; Apple, M. E.; Spangler, L.

2017-12-01

Three species of microalgae, Anabaena cylindrica (UTEX # 1611), coal-bed methane water isolates Nannochloropsis gaditana and PW-95 were cultured for the measurements of their hyperspectral profiles in different concentrations. The hyperspectral data were measured by an Analytical Spectral Devices (ASD) spectroradiomter with the spectral resolution of 1 nanometer over the wavelength ranges from 350nm to 1050 nm for samples of microalgae of different concentration. Concentration of microalgae was measured using a Hemocytometer under microscope. The objective of this study is to establish the relation between spectral reflectance and micro-algal concentration so that microalgae concentration can be measured remotely by space- or airborne hyperspectral or multispectral sensors. Two types of analytical models, linear reflectance-concentration model and Lamber-Beer reflectance-concentration model, were established for each species. For linear modeling, the wavelength with the maximum correlation coefficient between the reflectance and concentrations of algae was located and then selected for each species of algae. The results of the linear models for each species are shown in Fig.1(a), in which Refl_1, Refl_2, and Refl_3 represent the reflectance of Anabaena, N. Gaditana, and PW-95 respectively. C1, C2, and C3 represent the Concentrations of Anabaena, N. Gaditana, and PW-95 respectively. The Lamber-Beer models were based on the Lambert-Beer Law, which states that the intensity of light propagating in a substance dissolved in a fully transmitting solvent is directly proportional to the concentration of the substance and the path length of the light through the solution. Thus, for the Lamber-Beer modeling, a wavelength with large absorption in red band was selected for each species. The results of Lambert-Beer models for each species are shown in Fig.1(b). Based on the Lamber-Beer models, the absorption coefficient for the three different species will be quantified.

[Research on the method of interference correction for nondispersive infrared multi-component gas analysis].

PubMed

Sun, You-Wen; Liu, Wen-Qing; Wang, Shi-Mei; Huang, Shu-Hua; Yu, Xiao-Man

2011-10-01

A method of interference correction for nondispersive infrared multi-component gas analysis was described. According to the successive integral gas absorption models and methods, the influence of temperature and air pressure on the integral line strengths and linetype was considered, and based on Lorentz detuning linetypes, the absorption cross sections and response coefficients of H2O, CO2, CO, and NO on each filter channel were obtained. The four dimension linear regression equations for interference correction were established by response coefficients, the absorption cross interference was corrected by solving the multi-dimensional linear regression equations, and after interference correction, the pure absorbance signal on each filter channel was only controlled by the corresponding target gas concentration. When the sample cell was filled with gas mixture with a certain concentration proportion of CO, NO and CO2, the pure absorbance after interference correction was used for concentration inversion, the inversion concentration error for CO2 is 2.0%, the inversion concentration error for CO is 1.6%, and the inversion concentration error for NO is 1.7%. Both the theory and experiment prove that the interference correction method proposed for NDIR multi-component gas analysis is feasible.

Effect of absorption on nonlinear propagation of short ultrasound pulses generated by rectangular transducers

NASA Astrophysics Data System (ADS)

Khokhlova, Vera A.; Ponomaryov, Anatoly E.; Averkiou, Michalakis A.; Crum, Lawrence A.

2002-11-01

A numerical solution of the KZK-type parabolic nonlinear evolution equation is presented for finite-amplitude sound beams radiated by rectangular sources. The initial acoustic waveform is a short tone burst, similar to those used in diagnostic ultrasound. The generation of higher harmonic components and their spatial structure are investigated for media similar to tissue with various frequency dependent absorption properties. Nonlinear propagation in a thermoviscous fluid with a quadratic frequency law of absorption is compared to that in tissue with a nearly linear frequency law of absorption. The algorithm is based on that originally developed by Lee and Hamilton [J. Acoust. Soc. Am. 97, 906-917 (1995)] to model circular sources. The algorithm is generalized for two-dimensional sources without axial symmetry. The diffraction integral is adapted in the time-domain for two dimensions with the implicit backward finite difference (IBFD) scheme in the nearfield and with the alternate direction implicit (ADI) method at longer distances. Arbitrary frequency dependence of absorption is included in this model and solved in the frequency-domain using the FFT technique. The results of simulation may be used to better understand the nonlinear beam structure for tissue harmonic imaging in modern medical diagnostic scanners. [Work supported by CRDF and RFBR.

Analysis of Forest Foliage Using a Multivariate Mixture Model

NASA Technical Reports Server (NTRS)

Hlavka, C. A.; Peterson, David L.; Johnson, L. F.; Ganapol, B.

1997-01-01

Data with wet chemical measurements and near infrared spectra of ground leaf samples were analyzed to test a multivariate regression technique for estimating component spectra which is based on a linear mixture model for absorbance. The resulting unmixed spectra for carbohydrates, lignin, and protein resemble the spectra of extracted plant starches, cellulose, lignin, and protein. The unmixed protein spectrum has prominent absorption spectra at wavelengths which have been associated with nitrogen bonds.

Inhibition of linear absorption in opaque materials using phase-locked harmonic generation.

PubMed

Centini, Marco; Roppo, Vito; Fazio, Eugenio; Pettazzi, Federico; Sibilia, Concita; Haus, Joseph W; Foreman, John V; Akozbek, Neset; Bloemer, Mark J; Scalora, Michael

2008-09-12

We theoretically predict and experimentally demonstrate inhibition of linear absorption for phase and group velocity mismatched second- and third-harmonic generation in strongly absorbing materials, GaAs, in particular, at frequencies above the absorption edge. A 100-fs pump pulse tuned to 1300 nm generates 650 and 435 nm second- and third-harmonic pulses that propagate across a 450-microm-thick GaAs substrate without being absorbed. We attribute this to a phase-locking mechanism that causes the pump to trap the harmonics and to impress on them its dispersive properties.

Phototransduction early steps model based on Beer-Lambert optical law.

PubMed

Salido, Ezequiel M; Servalli, Leonardo N; Gomez, Juan Carlos; Verrastro, Claudio

2017-02-01

The amount of available rhodopsin on the photoreceptor outer segment and its change over time is not considered in classic models of phototransduction. Thus, those models do not take into account the absorptance variation of the outer segment under different brightness conditions. The relationship between the light absorbed by a medium and its absorptance is well described by the Beer-Lambert law. This newly proposed model implements the absorptance variation phenomenon in a set of equations that admit photons per second as input and results in active rhodopsins per second as output. This study compares the classic model of phototransduction developed by Forti et al. (1989) to this new model by using different light stimuli to measure active rhodopsin and photocurrent. The results show a linear relationship between light stimulus and active rhodopsin in the Forti model and an exponential saturation in the new model. Further, photocurrent values have shown that the new model behaves equivalently to the experimental and theoretical data as published by Forti in dark-adapted rods, but fits significantly better under light-adapted conditions. The new model successfully introduced a physics optical law to the standard model of phototransduction adding a new processing layer that had not been mathematically implemented before. In addition, it describes the physiological concept of saturation and delivers outputs in concordance to input magnitudes. Copyright © 2017 Elsevier Ltd. All rights reserved.

Crack-free conditions in welding of glass by ultrashort laser pulse.

PubMed

Miyamoto, Isamu; Cvecek, Kristian; Schmidt, Michael

2013-06-17

The spatial distribution of the laser energy absorbed by nonlinear absorption process in bulk glass w(z) is determined and thermal cycles due to the successive ultrashort laser pulse (USLP) is simulated using w(z) based on the transient thermal conduction model. The thermal stress produced in internal melting of bulk glass by USLP is qualitatively analyzed based on a simple thermal stress model, and crack-free conditions are studied in glass having large coefficient of thermal expansion. In heating process, cracks are prevented when the laser pulse impinges into glass with temperatures higher than the softening temperature of glass. In cooling process, shrinkage stress is suppressed to prevent cracks, because the embedded molten pool produced by nonlinear absorption process behaves like an elastic body under the compressive stress field unlike the case of CW-laser welding where the molten pool having a free surface produced by linear absorption process is plastically deformed under the compressive stress field.

A linear and nonlinear study of Mira

NASA Astrophysics Data System (ADS)

Cox, A. N.; Ostlie, D. A.

1993-12-01

Both linear and nonlinear calculations of the 331 day, long period variable star Mira have been undertaken to see what radial pulsation mode is naturally selected. Models are similar to those considered in the linear nonadiabatic stellar pulsation study of Ostlie and Cox (1986). Models are considered with masses near one solar mass, luminosities between 4000 and 5000 solar luminosities, and effective temperatures of approximately 3000 K. These models have fundamental mode periods that closely match the pulsation period of Mira. The equation of state for the stellar material is given by the Stellingwerf (1975ab) procedure, and the opacity is obtained from a fit by Cahn that matches the low temperature molecular absorption data for the poplulation I Ross-Aller 1 mixture calculated from the Los Alamos Astrophysical Opacity Library. For the linear study, the Cox, Brownlee, and Eilers (1966) approximation is used for the linear theory variation of the convection luminosity. For the nonlinear work, the method described by Ostlie (1990) and Cox (1990) is followed. Results showing internal details of the radial fundamental and first overtone modes behavior in linear theory are presented. Preliminary radial fundamental mode nonlinear calculations are discussed. The very tentative conclusion is that neither the fundamental or first overtone mode is excluded from being the actual observed one.

Non-linear absorption pharmacokinetics of amoxicillin: consequences for dosing regimens and clinical breakpoints.

PubMed

de Velde, Femke; de Winter, Brenda C M; Koch, Birgit C P; van Gelder, Teun; Mouton, Johan W

2016-10-01

To describe the population pharmacokinetics of oral amoxicillin and to compare the PTA of current dosing regimens. Two groups, each with 14 healthy male volunteers, received oral amoxicillin/clavulanic acid tablets on two separate days 1 week apart. One group received 875/125 mg twice daily and 500/125 mg three times daily and the other group 500/125 mg twice daily and 250/125 mg three times daily. A total of 1428 amoxicillin blood samples were collected before and after administration. We analysed the concentration-time profiles using a non-compartmental pharmacokinetic method (PKSolver) and a population pharmacokinetic method (NONMEM). The PTA was computed using Monte Carlo simulations for several dosing regimens. AUC0-24 and Cmax increased non-linearly with dose. The final model included the following components: Savic's transit compartment model, Michaelis-Menten absorption, two distribution compartments and first-order elimination. The mean central volume of distribution was 27.7 L and mean clearance was 21.3 L/h. We included variability for the central volume of distribution (34.4%), clearance (25.8%), transit compartment model parameters and Michaelis-Menten absorption parameters. For 40% fT>MIC and >97.5% PTA, the breakpoints were 0.125 mg/L (500 mg twice daily), 0.25 mg/L (250 mg three times daily and 875 mg twice daily), 0.5 mg/L (500 mg three times daily) and 1 mg/L (750, 875 or 1000 mg three times daily and 500 mg four times daily). The amoxicillin absorption rate appears to be saturable. The PTAs of high-dose as well as twice-daily regimens are less favourable than regimens with lower doses and higher frequency. © The Author 2016. Published by Oxford University Press on behalf of the British Society for Antimicrobial Chemotherapy. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Compact characterization of liquid absorption and emission spectra using linear variable filters integrated with a CMOS imaging camera.

PubMed

Wan, Yuhang; Carlson, John A; Kesler, Benjamin A; Peng, Wang; Su, Patrick; Al-Mulla, Saoud A; Lim, Sung Jun; Smith, Andrew M; Dallesasse, John M; Cunningham, Brian T

2016-07-08

A compact analysis platform for detecting liquid absorption and emission spectra using a set of optical linear variable filters atop a CMOS image sensor is presented. The working spectral range of the analysis platform can be extended without a reduction in spectral resolution by utilizing multiple linear variable filters with different wavelength ranges on the same CMOS sensor. With optical setup reconfiguration, its capability to measure both absorption and fluorescence emission is demonstrated. Quantitative detection of fluorescence emission down to 0.28 nM for quantum dot dispersions and 32 ng/mL for near-infrared dyes has been demonstrated on a single platform over a wide spectral range, as well as an absorption-based water quality test, showing the versatility of the system across liquid solutions for different emission and absorption bands. Comparison with a commercially available portable spectrometer and an optical spectrum analyzer shows our system has an improved signal-to-noise ratio and acceptable spectral resolution for discrimination of emission spectra, and characterization of colored liquid's absorption characteristics generated by common biomolecular assays. This simple, compact, and versatile analysis platform demonstrates a path towards an integrated optical device that can be utilized for a wide variety of applications in point-of-use testing and point-of-care diagnostics.

Linear Polarization, Circular Polarization, and Depolarization of Gamma-ray Bursts: A Simple Case of Jitter Radiation

NASA Astrophysics Data System (ADS)

Mao, Jirong; Wang, Jiancheng

2017-04-01

Linear and circular polarizations of gamma-ray bursts (GRBs) have been detected recently. We adopt a simplified model to investigate GRB polarization characteristics in this paper. A compressed two-dimensional turbulent slab containing stochastic magnetic fields is considered, and jitter radiation can produce the linear polarization under this special magnetic field topology. Turbulent Faraday rotation measure (RM) of this slab makes strong wavelength-dependent depolarization. The jitter photons can also scatter with those magnetic clumps inside the turbulent slab, and a nonzero variance of the Stokes parameter V can be generated. Furthermore, the linearly and circularly polarized photons in the optical and radio bands may suffer heavy absorptions from the slab. Thus we consider the polarized jitter radiation transfer processes. Finally, we compare our model results with the optical detections of GRB 091018, GRB 121024A, and GRB 131030A. We suggest simultaneous observations of GRB multi-wavelength polarization in the future.

Linear Polarization, Circular Polarization, and Depolarization of Gamma-ray Bursts: A Simple Case of Jitter Radiation

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

Mao, Jirong; Wang, Jiancheng, E-mail: jirongmao@mail.ynao.ac.cn

Linear and circular polarizations of gamma-ray bursts (GRBs) have been detected recently. We adopt a simplified model to investigate GRB polarization characteristics in this paper. A compressed two-dimensional turbulent slab containing stochastic magnetic fields is considered, and jitter radiation can produce the linear polarization under this special magnetic field topology. Turbulent Faraday rotation measure (RM) of this slab makes strong wavelength-dependent depolarization. The jitter photons can also scatter with those magnetic clumps inside the turbulent slab, and a nonzero variance of the Stokes parameter V can be generated. Furthermore, the linearly and circularly polarized photons in the optical and radiomore » bands may suffer heavy absorptions from the slab. Thus we consider the polarized jitter radiation transfer processes. Finally, we compare our model results with the optical detections of GRB 091018, GRB 121024A, and GRB 131030A. We suggest simultaneous observations of GRB multi-wavelength polarization in the future.« less

Optical bandgap of semiconductor nanostructures: Methods for experimental data analysis

NASA Astrophysics Data System (ADS)

Raciti, R.; Bahariqushchi, R.; Summonte, C.; Aydinli, A.; Terrasi, A.; Mirabella, S.

2017-06-01

Determination of the optical bandgap (Eg) in semiconductor nanostructures is a key issue in understanding the extent of quantum confinement effects (QCE) on electronic properties and it usually involves some analytical approximation in experimental data reduction and modeling of the light absorption processes. Here, we compare some of the analytical procedures frequently used to evaluate the optical bandgap from reflectance (R) and transmittance (T) spectra. Ge quantum wells and quantum dots embedded in SiO2 were produced by plasma enhanced chemical vapor deposition, and light absorption was characterized by UV-Vis/NIR spectrophotometry. R&T elaboration to extract the absorption spectra was conducted by two approximated methods (single or double pass approximation, single pass analysis, and double pass analysis, respectively) followed by Eg evaluation through linear fit of Tauc or Cody plots. Direct fitting of R&T spectra through a Tauc-Lorentz oscillator model is used as comparison. Methods and data are discussed also in terms of the light absorption process in the presence of QCE. The reported data show that, despite the approximation, the DPA approach joined with Tauc plot gives reliable results, with clear advantages in terms of computational efforts and understanding of QCE.

Optimizing the ionization and energy absorption of laser-irradiated clusters

NASA Astrophysics Data System (ADS)

Kundu, M.; Bauer, D.

2008-03-01

It is known that rare-gas or metal clusters absorb incident laser energy very efficiently. However, due to the intricate dependencies on all the laser and cluster parameters, it is difficult to predict under which circumstances ionization and energy absorption are optimal. With the help of three-dimensional particle-in-cell simulations of xenon clusters (up to 17256 atoms), it is shown that for a given laser pulse energy and cluster, an optimum wavelength exists that corresponds to the approximate wavelength of the transient, linear Mie-resonance of the ionizing cluster at an early stage of negligible expansion. In a single ultrashort laser pulse, the linear resonance at this optimum wavelength yields much higher absorption efficiency than in the conventional, dual-pulse pump-probe setup of linear resonance during cluster expansion.

Efficient control of ultrafast optical nonlinearity of reduced graphene oxide by infrared reduction

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

Bhattachraya, S.; Maiti, R.; Das, A. C.

Simultaneous occurrence of saturable absorption nonlinearity and two-photon absorption nonlinearity in the same medium is well sought for the devices like optical limiter and laser mode-locker. Pristine graphene sheet consisting entirely of sp{sup 2}-hybridized carbon atoms has already been identified having large optical nonlinearity. However, graphene oxide (GO), a precursor of graphene having both sp{sup 2} and sp{sup 3}-hybridized carbon atom, is increasingly attracting cross-discipline researchers for its controllable properties by reduction of oxygen containing groups. In this work, GO has been prepared by modified Hummers method, and it has been further reduced by infrared (IR) radiation. Characterization of reducedmore » graphene oxide (RGO) by means of Raman spectroscopy, X-ray photoelectron spectroscopy, and UV-Visible absorption measurements confirms an efficient reduction with infrared radiation. Here, we report precise control of non-linear optical properties of RGO in femtosecond regime with increased degrees of IR reduction measured by open aperture z-scan technique. Depending on the intensity, both saturable absorption and two-photon absorption effects are found to contribute to the non-linearity of all the samples. Saturation dominates at low intensity (∼127 GW/cm{sup 2}) while two-photon absorption becomes prominent at higher intensities (from 217 GW/cm{sup 2} to 302 GW/cm{sup 2}). The values of two-photon absorption co-efficient (∼0.0022–0.0037 cm/GW for GO, and ∼0.0128–0.0143 cm/GW for RGO) and the saturation intensity (∼57 GW/cm{sup 2} for GO, and ∼194 GW/cm{sup 2} for RGO) increase with increasing reduction, indicating GO and RGO as novel tunable photonic devices. We have also explained the reason of tunable nonlinear optical properties by using amorphous carbon model.« less

Nonlinear pulse propagation in InAs/InP quantum dot optical amplifiers: Rabi oscillations in the presence of nonresonant nonlinearities

NASA Astrophysics Data System (ADS)

Karni, O.; Mishra, A. K.; Eisenstein, G.; Reithmaier, J. P.

2015-03-01

We study the interplay between coherent light-matter interactions and nonresonant pulse propagation effects when ultrashort pulses propagate in room-temperature quantum dot (QD) semiconductor optical amplifiers (SOAs). The signatures observed on a pulse envelope after propagating in a transparent SOA, when coherent Rabi oscillations are absent, highlight the contribution of two-photon absorption (TPA), and its accompanying Kerr-like effect, as well as of linear dispersion, to the modification of the pulse complex electric field profile. These effects are incorporated into our previously developed finite-difference time-domain comprehensive model that describes the interaction between the pulses and the QD SOA. The present generalized model is used to investigate the combined effect of coherent and nonresonant phenomena in the gain and absorption regimes of the QD SOA. It confirms that in the QD SOA we examined, linear dispersion in the presence of the Kerr-like effect causes pulse compression, which counteracts the pulse peak suppression due to TPA, and also modifies the patterns which the coherent Rabi oscillations imprint on the pulse envelope under both gain and absorption conditions. The inclusion of these effects leads to a better fit with experiments and to a better understanding of the interplay among the various mechanisms so as to be able to better analyze more complex future experiments of coherent light-matter interaction induced by short pulses propagating along an SOA.

Crush analysis of the foam-filled bitubal circular tube under oblique impact

NASA Astrophysics Data System (ADS)

Djamaluddin, F.; Abdullah, S.; Arrifin, A. K.; Nopiah, Z. M.

2018-02-01

This paper presents crashworthiness analysis of bitubal cylindrical tubes under different impact angular. The numerical solution of double cylindrical tubes are determined by finite element analysis (FEA). Moreover, the structure was impacted by mass block as impactor respect to longitudinal direction of the tubes. The model of structure was developed by non-linear ABAQUS sofware with variations of load angle and dimensions of tube. The outcome of this study is the respons parameters such as the peak crusing force (PCF), energy absorption (EA) and specific energy absorption (SEA), thus it can be expected this tube as the great energy absorber.

Energy absorption as a predictor of leg impedance in highly trained females.

PubMed

Kulas, Anthony S; Schmitz, Randy J; Schultz, Sandra J; Watson, Mary Allen; Perrin, David H

2006-08-01

Although leg spring stiffness represents active muscular recruitment of the lower extremity during dynamic tasks such as hopping and running, the joint-specific characteristics comprising the damping portion of this measure, leg impedance, are uncertain. The purpose of this investigation was to assess the relationship between leg impedance and energy absorption at the ankle, knee, and hip during early (impact) and late (stabilization) phases of landing. Twenty highly trained female dancers (age = 20.3 +/- 1.4 years, height = 163.7 +/- 6.0 cm, mass = 62.1 +/- 8.1 kg) were instrumented for biomechanical analysis. Subjects performed three sets of double-leg landings from under preferred, stiff, and soft landing conditions. A stepwise linear regression analysis revealed that ankle and knee energy absorption at impact, and knee and hip energy absorption during the stabilization phases of landing explained 75.5% of the variance in leg impedance. The primary predictor of leg impedance was knee energy absorption during the stabilization phase, independently accounting for 55% of the variance. Future validation studies applying this regression model to other groups of individuals are warranted.

Airborne Measurements of CO2 Column Absorption and Range Using a Pulsed Direct-Detection Integrated Path Differential Absorption Lidar

NASA Technical Reports Server (NTRS)

Abshire, James B.; Riris, Haris; Weaver, Clark J.; Mao, Jianping; Allan, Graham R.; Hasselbrack, William E.; Browell, Edward V.

2013-01-01

We report on airborne CO2 column absorption measurements made in 2009 with a pulsed direct-detection lidar operating at 1572.33 nm and utilizing the integrated path differential absorption technique. We demonstrated these at different altitudes from an aircraft in July and August in flights over four locations in the central and eastern United States. The results show clear CO2 line shape and absorption signals, which follow the expected changes with aircraft altitude from 3 to 13 km. The lidar measurement statistics were also calculated for each flight as a function of altitude. The optical depth varied nearly linearly with altitude, consistent with calculations based on atmospheric models. The scatter in the optical depth measurements varied with aircraft altitude as expected, and the median measurement precisions for the column varied from 0.9 to 1.2 ppm. The altitude range with the lowest scatter was 810 km, and the majority of measurements for the column within it had precisions between 0.2 and 0.9 ppm.

Squeezing resulting from a fourth-order interaction in a degenerate parametric amplifier with absorption losses

NASA Astrophysics Data System (ADS)

Garca Fernández, P.; Colet, P.; Toral, R.; San Miguel, M.; Bermejo, F. J.

1991-05-01

The squeezing properties of a model of a degenerate parametric amplifier with absorption losses and an added fourth-order nonlinearity have been analyzed. The approach used consists of obtaining the Langevin equation for the optical field from the Heisenberg equation provided that a linearization procedure is valid. The steady states of the deterministic equations have been obtained and their local stability has been analyzed. The stationary covariance matrix has been calculated below and above threshold. Below threshold, a squeezed vacuum state is obtained and the nonlinear effects in the fluctuations have been taken into account by a Gaussian decoupling. In the case above threshold, a phase-squeezed coherent state is obtained and numerical simulations allowed to compute the time interval, depending on the loss parameter, on which the system jumps from one stable state to the other. Finally, the variances numerically determined have been compared with those obtained from the linearized theory and the limits of validity of the linear theory have been analyzed. It has become clear that the nonlinear contribution may perhaps be profitably used for the construction of above-threshold squeezing devices.

Dual Mechanism Nonlinear Response of Selected Metal Organic Chromophores

DTIC Science & Technology

2007-10-01

emission was observed due to the high quantum efficiency of the free ligand despite having a relatively low two photon cross section at this wavelength...nonlinear absorbing chromophores. .............................30 2-1 Beer’s Law relationships of linear absorption...optical processes; (4) structure-property relationships of nonlinear absorption as it relates to two photon absorption and reverse saturable absorption

Detection of Ozone and Nitric Oxide in Decomposition Products of Air-Insulated Switchgear Using Ultraviolet Differential Optical Absorption Spectroscopy (UV-DOAS).

PubMed

Li, Yalong; Zhang, Xiaoxing; Li, Xin; Cui, Zhaolun; Xiao, Hai

2018-01-01

Air-insulated switchgear cabinets play a role in the protection and control of the modern power grid, and partial discharge (PD) switchgear is a long-term process in the non-normal operation of one of the situations; thus, condition monitoring of the switchgear is important. The air-insulated switchgear during PD enables the decomposition of air components, namely, O 3 and NO. A set of experimental platforms was designed on the basis of the principle of ultraviolet differential optical absorption spectroscopy (UV-DOAS) to detect O 3 and NO concentrations in air-insulated switchgear. Differential absorption algorithm and wavelet transform were used to extract effective absorption spectra; a linear relationship between O 3 and NO concentrations and absorption spectrum data were established. O 3 detection linearity was up to 0.9992 and the detection limit was at 3.76 ppm. NO detection linearity was up to 0.9990 and the detection limit was at 0.64 ppm. Results indicate that detection platform is suitable for detecting trace O 3 and NO gases produced by PD of the air-insulated switchgear.

Practical Model for First Hyperpolarizability Dispersion Accounting for Both Homogeneous and Inhomogeneous Broadening Effects.

PubMed

Campo, Jochen; Wenseleers, Wim; Hales, Joel M; Makarov, Nikolay S; Perry, Joseph W

2012-08-16

A practical yet accurate dispersion model for the molecular first hyperpolarizability β is presented, incorporating both homogeneous and inhomogeneous line broadening because these affect the β dispersion differently, even if they are indistinguishable in linear absorption. Consequently, combining the absorption spectrum with one free shape-determining parameter Ginhom, the inhomogeneous line width, turns out to be necessary and sufficient to obtain a reliable description of the β dispersion, requiring no information on the homogeneous (including vibronic) and inhomogeneous line broadening mechanisms involved, providing an ideal model for practical use in extrapolating experimental nonlinear optical (NLO) data. The model is applied to the efficient NLO chromophore picolinium quinodimethane, yielding an excellent fit of the two-photon resonant wavelength-dependent data and a dependable static value β0 = 316 × 10(-30) esu. Furthermore, we show that including a second electronic excited state in the model does yield an improved description of the NLO data at shorter wavelengths but has only limited influence on β0.

Kinetics of drug release from ointments: Role of transient-boundary layer.

PubMed

Xu, Xiaoming; Al-Ghabeish, Manar; Krishnaiah, Yellela S R; Rahman, Ziyaur; Khan, Mansoor A

2015-10-15

In the current work, an in vitro release testing method suitable for ointment formulations was developed using acyclovir as a model drug. Release studies were carried out using enhancer cells on acyclovir ointments prepared with oleaginous, absorption, and water-soluble bases. Kinetics and mechanism of drug release was found to be highly dependent on the type of ointment bases. In oleaginous bases, drug release followed a unique logarithmic-time dependent profile; in both absorption and water-soluble bases, drug release exhibited linearity with respect to square root of time (Higuchi model) albeit differences in the overall release profile. To help understand the underlying cause of logarithmic-time dependency of drug release, a novel transient-boundary hypothesis was proposed, verified, and compared to Higuchi theory. Furthermore, impact of drug solubility (under various pH conditions) and temperature on drug release were assessed. Additionally, conditions under which deviations from logarithmic-time drug release kinetics occur were determined using in situ UV fiber-optics. Overall, the results suggest that for oleaginous ointments containing dispersed drug particles, kinetics and mechanism of drug release is controlled by expansion of transient boundary layer, and drug release increases linearly with respect to logarithmic time. Published by Elsevier B.V.

Influence of the light propagation models on a linearized photoacoustic image reconstruction of the light absorption coefficient

NASA Astrophysics Data System (ADS)

Okawa, Shinpei; Hirasawa, Takeshi; Kushibiki, Toshihiro; Ishihara, Miya

2015-03-01

Quantification of the optical properties of the tissues and blood by noninvasive photoacoustic (PA) imaging may provide useful information for screening and early diagnosis of diseases. Linearized 2D image reconstruction algorithm based on PA wave equation and the photon diffusion equation (PDE) can reconstruct the image with computational cost smaller than a method based on 3D radiative transfer equation. However, the reconstructed image is affected by the differences between the actual and assumed light propagations. A quantitative capability of a linearized 2D image reconstruction was investigated and discussed by the numerical simulations and the phantom experiment in this study. The numerical simulations with the 3D Monte Carlo (MC) simulation and the 2D finite element calculation of the PDE were carried out. The phantom experiment was also conducted. In the phantom experiment, the PA pressures were acquired by a probe which had an optical fiber for illumination and the ring shaped P(VDF-TrFE) ultrasound transducer. The measured object was made of Intralipid and Indocyanine green. In the numerical simulations, it was shown that the linearized image reconstruction method recovered the absorption coefficients with alleviating the dependency of the PA amplitude on the depth of the photon absorber. The linearized image reconstruction method worked effectively under the light propagation calculated by 3D MC simulation, although some errors occurred. The phantom experiments validated the result of the numerical simulations.

Determination of absorption changes from moments of distributions of times of flight of photons: optimization of measurement conditions for a two-layered tissue model.

PubMed

Liebert, Adam; Wabnitz, Heidrun; Elster, Clemens

2012-05-01

Time-resolved near-infrared spectroscopy allows for depth-selective determination of absorption changes in the adult human head that facilitates separation between cerebral and extra-cerebral responses to brain activation. The aim of the present work is to analyze which combinations of moments of measured distributions of times of flight (DTOF) of photons and source-detector separations are optimal for the reconstruction of absorption changes in a two-layered tissue model corresponding to extra- and intra-cerebral compartments. To this end we calculated the standard deviations of the derived absorption changes in both layers by considering photon noise and a linear relation between the absorption changes and the DTOF moments. The results show that the standard deviation of the absorption change in the deeper (superficial) layer increases (decreases) with the thickness of the superficial layer. It is confirmed that for the deeper layer the use of higher moments, in particular the variance of the DTOF, leads to an improvement. For example, when measurements at four different source-detector separations between 8 and 35 mm are available and a realistic thickness of the upper layer of 12 mm is assumed, the inclusion of the change in mean time of flight, in addition to the change in attenuation, leads to a reduction of the standard deviation of the absorption change in the deeper tissue layer by a factor of 2.5. A reduction by another 4% can be achieved by additionally including the change in variance.

Optical Hydrogen Absorption Consistent with a Thin Bow Shock Leading the Hot Jupiter HD 189733b

NASA Astrophysics Data System (ADS)

Cauley, P. Wilson; Redfield, Seth; Jensen, Adam G.; Barman, Travis; Endl, Michael; Cochran, William D.

2015-09-01

Bow shocks are ubiquitous astrophysical phenomena resulting from the supersonic passage of an object through a gas. Recently, pre-transit absorption in UV metal transitions of the hot Jupiter (HJ) exoplanets HD 189733b and WASP12-b have been interpreted as being caused by material compressed in a planetary bow shock. Here we present a robust detection of a time-resolved pre-transit, as well as in-transit absorption signature around the HJ exoplanet HD 189733b using high spectral resolution observations of several hydrogen Balmer lines. The line shape of the pre-transit feature and the shape of the timeseries absorption provide the strongest constraints on the morphology and physical characteristics of extended structures around an exoplanet. The in-transit measurements confirm the previous exospheric Hα detection, although the absorption depth measured here is ∼50% lower. The pre-transit absorption feature occurs 125 minutes before the predicted optical transit, a projected linear distance from the planet to the stellar disk of 7.2 Rp. The absorption strength observed in the Balmer lines indicates an optically thick, but physically small, geometry. We model this signal as the early ingress of a planetary bow shock. If the bow shock is mediated by a planetary magnetosphere, the large standoff distance derived from the model suggests a large planetary magnetic field strength of Beq = 28 G. Better knowledge of exoplanet magnetic field strengths is crucial to understanding the role these fields play in planetary evolution and the potential development of life on planets in the habitable zone.

Algebraic approach to electronic spectroscopy and dynamics

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

Toutounji, Mohamad

Lie algebra, Zassenhaus, and parameter differentiation techniques are utilized to break up the exponential of a bilinear Hamiltonian operator into a product of noncommuting exponential operators by the virtue of the theory of Wei and Norman [J. Math. Phys. 4, 575 (1963); Proc. Am. Math. Soc., 15, 327 (1964)]. There are about three different ways to find the Zassenhaus exponents, namely, binomial expansion, Suzuki formula, and q-exponential transformation. A fourth, and most reliable method, is provided. Since linearly displaced and distorted (curvature change upon excitation/emission) Hamiltonian and spin-boson Hamiltonian may be classified as bilinear Hamiltonians, the presented algebraic algorithm (exponentialmore » operator disentanglement exploiting six-dimensional Lie algebra case) should be useful in spin-boson problems. The linearly displaced and distorted Hamiltonian exponential is only treated here. While the spin-boson model is used here only as a demonstration of the idea, the herein approach is more general and powerful than the specific example treated. The optical linear dipole moment correlation function is algebraically derived using the above mentioned methods and coherent states. Coherent states are eigenvectors of the bosonic lowering operator a and not of the raising operator a{sup +}. While exp(a{sup +}) translates coherent states, exp(a{sup +}a{sup +}) operation on coherent states has always been a challenge, as a{sup +} has no eigenvectors. Three approaches, and the results, of that operation are provided. Linear absorption spectra are derived, calculated, and discussed. The linear dipole moment correlation function for the pure quadratic coupling case is expressed in terms of Legendre polynomials to better show the even vibronic transitions in the absorption spectrum. Comparison of the present line shapes to those calculated by other methods is provided. Franck-Condon factors for both linear and quadratic couplings are exactly accounted for by the herein calculated linear absorption spectra. This new methodology should easily pave the way to calculating the four-point correlation function, F({tau}{sub 1},{tau}{sub 2},{tau}{sub 3},{tau}{sub 4}), of which the optical nonlinear response function may be procured, as evaluating F({tau}{sub 1},{tau}{sub 2},{tau}{sub 3},{tau}{sub 4}) is only evaluating the optical linear dipole moment correlation function iteratively over different time intervals, which should allow calculating various optical nonlinear temporal/spectral signals.« less

Functionalizing a Tapered Microcavity as a Gas Cell for On-Chip Mid-Infrared Absorption Spectroscopy

PubMed Central

Mandon, Julien; Harren, Frans J. M.; Wolffenbuttel, Reinoud F.

2017-01-01

Increasing demand for field instruments designed to measure gas composition has strongly promoted the development of robust, miniaturized and low-cost handheld absorption spectrometers in the mid-infrared. Efforts thus far have focused on miniaturizing individual components. However, the optical absorption path that the light beam travels through the sample defines the length of the gas cell and has so far limited miniaturization. Here, we present a functionally integrated linear variable optical filter and gas cell, where the sample to be measured is fed through the resonator cavity of the filter. By using multiple reflections from the mirrors on each side of the cavity, the optical absorption path is elongated from the physical μm-level to the effective mm-level. The device is batch-fabricated at the wafer level in a CMOS-compatible approach. The optical performance is analyzed using the Fizeau interferometer model and demonstrated with actual gas measurements. PMID:28878167

Influence of Two-Photon Absorption Anisotropy on Terahertz Emission Through Optical Rectification in Zinc-Blende Crystals

NASA Astrophysics Data System (ADS)

Sanjuan, Federico; Gaborit, Gwenaël; Coutaz, Jean-Louis

2018-04-01

We report for the first time on the observation of an angular anisotropy of the THz signal generated by optical rectification in a < 111 > ZnTe crystal. This cubic (zinc-blende) crystal in the < 111 > orientation exhibits both transverse isotropy for optical effects involving the linear χ (1) and nonlinear χ (2) susceptibilities. Thus, the observed anisotropy can only be related to χ (3) effect, namely two-photon absorption, which leads to the photo-generation of free carriers that absorb the generated THz signal. Two-photon absorption in zinc-blende crystals is known to be due to a spin-orbit interaction between the valence and higher-conduction bands. We perform a couple of measurements that confirm our hypothesis, as well as we fit the recorded data with a simple model. This two-photon absorption effect makes difficult an efficient generation, through optical rectification in < 111 > zinc-blende crystals, of THz beams of any given polarization state by only monitoring the laser pump polarization.

Non linear optical investigations of silver nanoparticles synthesised by curcumin reduction

NASA Astrophysics Data System (ADS)

Dhanya, N. P.

2017-11-01

Metal nanoparticles have considerable applications in assorted fields like medicine, biology, photonics, metallurgy etc. Optical applications of Silver nanoparticles are of significant interest among researchers nowadays. In this paper, we report a single step chemical reduction of silver nanoparticles with Curcumin both as a reducing and stabilising agent at room temperature. Structural, plasmonic and non linear optical properties of the prepared nanoparticles are explored using Scanning Electron Microscope, Transmission Electron Microscope, UV absorption spectrometry, Spectroflurometry and Z scan. UV-Vis absorption studies affirm the Surface Plasmon Resonance (SPR) absorption and spectroflurometric studies announce the emission spectrum of the prepared silvernanoparticles at 520 nm. SEM and TEM images uphold the existence of uniform sized, spherical silvernanoparticles. Nonlinear optical studies are accomplished with the open aperture z scan technique in the nanosecond regime. The nonlinearity is in virtue of saturable absorption, two-photon absorption and excited state absorption. The marked nonlinearity and optical limiting of the Curcumin reduced silvernanoparticles enhances its photonic applications.

Analysis of 2D THz-Raman spectroscopy using a non-Markovian Brownian oscillator model with nonlinear system-bath interactions.

PubMed

Ikeda, Tatsushi; Ito, Hironobu; Tanimura, Yoshitaka

2015-06-07

We explore and describe the roles of inter-molecular vibrations employing a Brownian oscillator (BO) model with linear-linear (LL) and square-linear (SL) system-bath interactions, which we use to analyze two-dimensional (2D) THz-Raman spectra obtained by means of molecular dynamics (MD) simulations. In addition to linear infrared absorption (1D IR), we calculated 2D Raman-THz-THz, THz-Raman-THz, and THz-THz-Raman signals for liquid formamide, water, and methanol using an equilibrium non-equilibrium hybrid MD simulation. The calculated 1D IR and 2D THz-Raman signals are compared with results obtained from the LL+SL BO model applied through use of hierarchal Fokker-Planck equations with non-perturbative and non-Markovian noise. We find that all of the qualitative features of the 2D profiles of the signals obtained from the MD simulations are reproduced with the LL+SL BO model, indicating that this model captures the essential features of the inter-molecular motion. We analyze the fitted 2D profiles in terms of anharmonicity, nonlinear polarizability, and dephasing time. The origins of the echo peaks of the librational motion and the elongated peaks parallel to the probe direction are elucidated using optical Liouville paths.

Spectroradiometric monitoring for open outdoor culturing of algae and cyanobacteria.

PubMed

Reichardt, Thomas A; Collins, Aaron M; McBride, Robert C; Behnke, Craig A; Timlin, Jerilyn A

2014-08-20

We assess the measurement of hyperspectral reflectance for outdoor monitoring of green algae and cyanobacteria cultures with a multichannel, fiber-coupled spectroradiometer. Reflectance data acquired over a 4-week period are interpreted via numerical inversion of a reflectance model, in which the above-water reflectance is expressed as a quadratic function of the single backscattering albedo, which is dependent on the absorption and backscatter coefficients. The absorption coefficient is treated as the sum of component spectra consisting of the cultured species (green algae or cyanobacteria), dissolved organic matter, and water (including the temperature dependence of the water absorption spectrum). The backscatter coefficient is approximated as the scaled Hilbert transform of the culture absorption spectrum with a wavelength-independent vertical offset. Additional terms in the reflectance model account for the pigment fluorescence features and the water-surface reflection of sunlight and skylight. For the green algae and cyanobacteria, the wavelength-independent vertical offset of the backscatter coefficient is found to scale linearly with daily dry weight measurements, providing the capability for a nonsampling measurement of biomass in outdoor ponds. Other fitting parameters in the reflectance model are compared with auxiliary measurements and physics-based calculations. The model-derived magnitudes of sunlight and skylight water-surface reflections compare favorably with Fresnel reflectance calculations, while the model-derived quantum efficiency of Chl-a fluorescence is found to be in agreement with literature values. Finally, the water temperatures derived from the reflectance model exhibit excellent agreement with thermocouple measurements during the morning hours but correspond to significantly elevated temperatures in the afternoon hours.

Compact characterization of liquid absorption and emission spectra using linear variable filters integrated with a CMOS imaging camera

PubMed Central

Wan, Yuhang; Carlson, John A.; Kesler, Benjamin A.; Peng, Wang; Su, Patrick; Al-Mulla, Saoud A.; Lim, Sung Jun; Smith, Andrew M.; Dallesasse, John M.; Cunningham, Brian T.

2016-01-01

A compact analysis platform for detecting liquid absorption and emission spectra using a set of optical linear variable filters atop a CMOS image sensor is presented. The working spectral range of the analysis platform can be extended without a reduction in spectral resolution by utilizing multiple linear variable filters with different wavelength ranges on the same CMOS sensor. With optical setup reconfiguration, its capability to measure both absorption and fluorescence emission is demonstrated. Quantitative detection of fluorescence emission down to 0.28 nM for quantum dot dispersions and 32 ng/mL for near-infrared dyes has been demonstrated on a single platform over a wide spectral range, as well as an absorption-based water quality test, showing the versatility of the system across liquid solutions for different emission and absorption bands. Comparison with a commercially available portable spectrometer and an optical spectrum analyzer shows our system has an improved signal-to-noise ratio and acceptable spectral resolution for discrimination of emission spectra, and characterization of colored liquid’s absorption characteristics generated by common biomolecular assays. This simple, compact, and versatile analysis platform demonstrates a path towards an integrated optical device that can be utilized for a wide variety of applications in point-of-use testing and point-of-care diagnostics. PMID:27389070

Compact characterization of liquid absorption and emission spectra using linear variable filters integrated with a CMOS imaging camera

NASA Astrophysics Data System (ADS)

Wan, Yuhang; Carlson, John A.; Kesler, Benjamin A.; Peng, Wang; Su, Patrick; Al-Mulla, Saoud A.; Lim, Sung Jun; Smith, Andrew M.; Dallesasse, John M.; Cunningham, Brian T.

2016-07-01

A compact analysis platform for detecting liquid absorption and emission spectra using a set of optical linear variable filters atop a CMOS image sensor is presented. The working spectral range of the analysis platform can be extended without a reduction in spectral resolution by utilizing multiple linear variable filters with different wavelength ranges on the same CMOS sensor. With optical setup reconfiguration, its capability to measure both absorption and fluorescence emission is demonstrated. Quantitative detection of fluorescence emission down to 0.28 nM for quantum dot dispersions and 32 ng/mL for near-infrared dyes has been demonstrated on a single platform over a wide spectral range, as well as an absorption-based water quality test, showing the versatility of the system across liquid solutions for different emission and absorption bands. Comparison with a commercially available portable spectrometer and an optical spectrum analyzer shows our system has an improved signal-to-noise ratio and acceptable spectral resolution for discrimination of emission spectra, and characterization of colored liquid’s absorption characteristics generated by common biomolecular assays. This simple, compact, and versatile analysis platform demonstrates a path towards an integrated optical device that can be utilized for a wide variety of applications in point-of-use testing and point-of-care diagnostics.

Absorber Model: the Halo-like model for the Lyman-α forest

NASA Astrophysics Data System (ADS)

Iršič, Vid; McQuinn, Matthew

2018-04-01

We present a semi-analytic model for the Lyman-α forest that is inspired by the Halo Model. This model is built on the absorption line decomposition of the forest. Flux correlations are decomposed into those within each absorption line (the 1-absorber term) and those between separate lines (the 2-absorber term), treating the lines as biased tracers of the underlying matter fluctuations. While the nonlinear exponential mapping between optical depth and flux requires an infinite series of moments to calculate any statistic, we show that this series can be re-summed (truncating at the desired order in the linear matter overdensity). We focus on the z=2–3 line-of-sight power spectrum. Our model finds that 1-absorber term dominates the power on all scales, with most of its contribution coming from H I columns of 1014–1015 cm‑2, while the smaller 2-absorber contribution comes from lower columns that trace overdensities of a few. The prominence of the 1-absorber correlations indicates that the line-of-sight power spectrum is shaped principally by the lines' number densities and their absorption profiles, with correlations between lines contributing to a lesser extent. We present intuitive formulae for the effective optical depth as well as the large-scale limits of 1-absorber and 2-absorber terms, which simplify to integrals over the H I column density distribution with different equivalent-width weightings. With minimalist models for the bias of absorption systems and their peculiar velocity broadening, our model predicts values for the density bias and velocity gradient bias that are consistent with those found in simulations.

Improvements of the Radiation Code "MstrnX" in AORI/NIES/JAMSTEC Models

NASA Astrophysics Data System (ADS)

Sekiguchi, M.; Suzuki, K.; Takemura, T.; Watanabe, M.; Ogura, T.

2015-12-01

There is a large demand for an accurate yet rapid radiation transfer scheme accurate for general climate models. The broadband radiative transfer code "mstrnX", ,which was developed by Atmosphere and Ocean Research Institute (AORI) and was implemented in several global and regional climate models cooperatively developed in the Japanese research community, for example, MIROC (the Model for Interdisciplinary Research on Climate) [Watanabe et al., 2010], NICAM (Non-hydrostatic Icosahedral Atmospheric Model) [Satoh et al, 2008], and CReSS (Cloud Resolving Storm Simulator) [Tsuboki and Sakakibara, 2002]. In this study, we improve the gas absorption process and the scattering process of ice particles. For update of gas absorption process, the absorption line database is replaced by the latest versions of the Harvard-Smithsonian Center, HITRAN2012. An optimization method is adopted in mstrnX to decrease the number of integration points for the wavenumber integration using the correlated k-distribution method and to increase the computational efficiency in each band. The integration points and weights of the correlated k-distribution are optimized for accurate calculation of the heating rate up to altitude of 70 km. For this purpose we adopted a new non-linear optimization method of the correlated k-distribution and studied an optimal initial condition and the cost function for the non-linear optimization. It is known that mstrnX has a considerable bias in case of quadrapled carbon dioxide concentrations [Pincus et al., 2015], however, the bias is decreased by this improvement. For update of scattering process of ice particles, we adopt a solid column as an ice crystal habit [Yang et al., 2013]. The single scattering properties are calculated and tabulated in advance. The size parameter of this table is ranged from 0.1 to 1000 in mstrnX, we expand the maximum to 50000 in order to correspond to large particles, like fog and rain drop. Those update will be introduced to MIROC and adopted for CMIP6 experiment.

Tunable Spectrum Selectivity for Multiphoton Absorption with Enhanced Visible Light Trapping in ZnO Nanorods.

PubMed

Tan, Kok Hong; Lim, Fang Sheng; Toh, Alfred Zhen Yang; Zheng, Xia-Xi; Dee, Chang Fu; Majlis, Burhanuddin Yeop; Chai, Siang-Piao; Chang, Wei Sea

2018-04-17

Observation of visible light trapping in zinc oxide (ZnO) nanorods (NRs) correlated to the optical and photoelectrochemical properties is reported. In this study, ZnO NR diameter and c-axis length respond primarily at two different regions, UV and visible light, respectively. ZnO NR diameter exhibits UV absorption where large ZnO NR diameter area increases light absorption ability leading to high efficient electron-hole pair separation. On the other hand, ZnO NR c-axis length has a dominant effect in visible light resulting from a multiphoton absorption mechanism due to light reflection and trapping behavior in the free space between adjacent ZnO NRs. Furthermore, oxygen vacancies and defects in ZnO NRs are associated with the broad visible emission band of different energy levels also highlighting the possibility of the multiphoton absorption mechanism. It is demonstrated that the minimum average of ZnO NR c-axis length must satisfy the linear regression model of Z p,min = 6.31d to initiate the multiphoton absorption mechanism under visible light. This work indicates the broadening of absorption spectrum from UV to visible light region by incorporating a controllable diameter and c-axis length on vertically aligned ZnO NRs, which is important in optimizing the design and functionality of electronic devices based on light absorption mechanism. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Evolution of diffraction and self-diffraction phenomena in thin films of Gelite Bloom/Hibiscus Sabdariffa

NASA Astrophysics Data System (ADS)

Cano-Lara, Miroslava; Severiano-Carrillo, Israel; Trejo-Durán, Mónica; Alvarado-Méndez, Edgar

2017-09-01

In this work, we present a study of non-linear optical response in thin films elaborated with Gelite Bloom and extract of Hibiscus Sabdariffa. Non-linear refraction and absorption effects were studied experimentally (Z-scan technique) and numerically, by considering the transmittance as non-linear absorption and refraction contribution. We observe large phase shifts to far field, and diffraction due to self-phase modulation of the sample. Diffraction and self-diffraction effects were observed as time function. The aim of studying non-linear optical properties in thin films is to eliminate thermal vortex effects that occur in liquids. This is desirable in applications such as non-linear phase contrast, optical limiting, optics switches, etc. Finally, we find good agreement between experimental and theoretical results.

Exciton Level Structure and Dynamics in Tubular Porphyrin Aggregates

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

Wan, Yan; Stradomska, Anna; Fong, Sarah

2014-10-30

We present an account of the optical properties of the Frenkel excitons in self-assembled porphyrin tubular aggregates that represent an analog to natural photosynthetic antennae. Using a combination of ultrafast optical spectroscopy and stochastic exciton modeling, we address both linear and nonlinear exciton absorption, relaxation pathways, and the role of disorder. The static disorder-dominated absorption and fluorescence line widths show little temperature dependence for the lowest excitons (Q band), which we successfully simulate using a model of exciton scattering on acoustic phonons in the host matrix. Temperature-dependent transient absorption of and fluorescence from the excitons in the tubular aggregates aremore » marked by nonexponential decays with time scales ranging from a few picoseconds to a few nanoseconds, reflecting complex relaxation mechanisms. Combined experimental and theoretical investigations indicate that nonradiative pathways induced by traps and defects dominate the relaxation of excitons in the tubular aggregates. We model the pumpprobe spectra and ascribe the excited-state absorption to transitions from one-exciton states to a manifold of mixed one- and two-exciton states. Our results demonstrate that while the delocalized Frenkel excitons (over 208 (1036) molecules for the optically dominant excitons in the Q (B) band) resulting from strong intermolecular coupling in these aggregates could potentially facilitate efficient energy transfer, fast relaxation due to defects and disorder probably present a major limitation for exciton transport over large distances.« less

Effects of axial magnetic field on the electronic and optical properties of boron nitride nanotube

NASA Astrophysics Data System (ADS)

Chegel, Raad; Behzad, Somayeh

2011-07-01

The splitting of band structure and absorption spectrum, for boron nitride nanotubes (BNNTs) under axial magnetic field, is studied using the tight binding approximation. It is found that the band splitting ( ΔE) at the Γ point is linearly proportional to the magnetic field ( Φ/Φ0). Our results indicate that the splitting rate νii, of the two first bands nearest to the Fermi level, is a linear function of n -2 for all (n,0) zigzag BNNTs. By investigation of the dependence of band structure and absorption spectrum to the magnetic field, we found that absorption splitting is equal to band splitting and the splitting rate of band structure can be used to determine the splitting rate of the absorption spectrum.

Population Pharmacokinetic Modeling of Olmesartan, the Active Metabolite of Olmesartan Medoxomil, in Patients with Hypertension.

PubMed

Kodati, Devender; Kotakonda, Harish Kaushik; Yellu, Narsimhareddy

2017-08-01

Olmesartan medoxomil is an orally given angiotensin II receptor antagonist indicated for the treatment of hypertension. The aim of the study was to establish a population pharmacokinetic model for olmesartan, the active metabolite of olmesartan medoxomil, in Indian hypertensive patients, and to evaluate effects of covariates on the volume of distribution (V/F) and oral clearance (CL/F) of olmesartan. The population pharmacokinetic model for olmesartan was developed using Phoenix NLME 1.3 with a non-linear mixed-effect model. Bootstrap and visual predictive check were used simultaneously to validate the final population pharmacokinetic models. The covariates included age, sex, body surface area (BSA), bodyweight, height, creatinine clearance (CL CR ) as an index of renal function and liver parameters as indices of hepatic function. A total of 205 olmesartan plasma sample concentrations from 69 patients with hypertension were collected in this study. The pharmacokinetic data of olmesartan was well described by a two-compartment linear pharmacokinetic model with first-order absorption and an absorption lag-time. The mean values of CL/F and V/F of olmesartan in the patients were 0.31565 L/h and 44.5162 L, respectively. Analysis of covariates showed that age and CL CR were factors influencing the clearance of olmesartan and the volume of distribution of olmesartan was dependent on age and BSA. The final population pharmacokinetic model was demonstrated to be appropriate and effective and it can be used to assess the pharmacokinetic parameters of olmesartan in Indian patients with hypertension.

On the calculation of the complex wavenumber of plane waves in rigid-walled low-Mach-number turbulent pipe flows

NASA Astrophysics Data System (ADS)

Weng, Chenyang; Boij, Susann; Hanifi, Ardeshir

2015-10-01

A numerical method for calculating the wavenumbers of axisymmetric plane waves in rigid-walled low-Mach-number turbulent flows is proposed, which is based on solving the linearized Navier-Stokes equations with an eddy-viscosity model. In addition, theoretical models for the wavenumbers are reviewed, and the main effects (the viscothermal effects, the mean flow convection and refraction effects, the turbulent absorption, and the moderate compressibility effects) which may influence the sound propagation are discussed. Compared to the theoretical models, the proposed numerical method has the advantage of potentially including more effects in the computed wavenumbers. The numerical results of the wavenumbers are compared with the reviewed theoretical models, as well as experimental data from the literature. It shows that the proposed numerical method can give satisfactory prediction of both the real part (phase shift) and the imaginary part (attenuation) of the measured wavenumbers, especially when the refraction effects or the turbulent absorption effects become important.

Modeling of anisotropic properties of double quantum rings by the terahertz laser field.

PubMed

Baghramyan, Henrikh M; Barseghyan, Manuk G; Kirakosyan, Albert A; Ojeda, Judith H; Bragard, Jean; Laroze, David

2018-04-18

The rendering of different shapes of just a single sample of a concentric double quantum ring is demonstrated realizable with a terahertz laser field, that in turn, allows the manipulation of electronic and optical properties of a sample. It is shown that by changing the intensity or frequency of laser field, one can come to a new set of degenerated levels in double quantum rings and switch the charge distribution between the rings. In addition, depending on the direction of an additional static electric field, the linear and quadratic quantum confined Stark effects are observed. The absorption spectrum shifts and the additive absorption coefficient variations affected by laser and electric fields are discussed. Finally, anisotropic electronic and optical properties of isotropic concentric double quantum rings are modeled with the help of terahertz laser field.

Effects of polarization and absorption on laser induced optical breakdown threshold for skin rejuvenation

NASA Astrophysics Data System (ADS)

Varghese, Babu; Bonito, Valentina; Turco, Simona; Verhagen, Rieko

2016-03-01

Laser induced optical breakdown (LIOB) is a non-linear absorption process leading to plasma formation at locations where the threshold irradiance for breakdown is surpassed. In this paper we experimentally demonstrate the influence of polarization and absorption on laser induced breakdown threshold in transparent, absorbing and scattering phantoms made from water suspensions of polystyrene microspheres. We demonstrate that radially polarized light yields a lower irradiance threshold for creating optical breakdown compared to linearly polarized light. We also demonstrate that the thermal initiation pathway used for generating seed electrons results in a lower irradiance threshold compared to multiphoton initiation pathway used for optical breakdown.

A Fortran 90 Hartree-Fock program for one-dimensional periodic π-conjugated systems using Pariser-Parr-Pople model

NASA Astrophysics Data System (ADS)

Kondayya, Gundra; Shukla, Alok

2012-03-01

Pariser-Parr-Pople (P-P-P) model Hamiltonian is employed frequently to study the electronic structure and optical properties of π-conjugated systems. In this paper we describe a Fortran 90 computer program which uses the P-P-P model Hamiltonian to solve the Hartree-Fock (HF) equation for infinitely long, one-dimensional, periodic, π-electron systems. The code is capable of computing the band structure, as also the linear optical absorption spectrum, by using the tight-binding and the HF methods. Furthermore, using our program the user can solve the HF equation in the presence of a finite external electric field, thereby, allowing the simulation of gated systems. We apply our code to compute various properties of polymers such as trans-polyacetylene, poly- para-phenylene, and armchair and zigzag graphene nanoribbons, in the infinite length limit. Program summaryProgram title: ppp_bulk.x Catalogue identifier: AEKW_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKW_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 87 464 No. of bytes in distributed program, including test data, etc.: 2 046 933 Distribution format: tar.gz Programming language: Fortran 90 Computer: PCs and workstations Operating system: Linux, Code was developed and tested on various recent versions of 64-bit Fedora including Fedora 14 (kernel version 2.6.35.12-90). Classification: 7.3 External routines: This program needs to link with LAPACK/BLAS libraries compiled with the same compiler as the program. For the Intel Fortran Compiler we used the ACML library version 4.4.0, while for the gfortran compiler we used the libraries supplied with the Fedora distribution. Nature of problem: The electronic structure of one-dimensional periodic π-conjugated systems is an intense area of research at present because of the tremendous interest in the physics of conjugated polymers and graphene nanoribbons. The computer program described in this paper provides an efficient way of solving the Hartree-Fock equations for such systems within the P-P-P model. In addition to the Bloch orbitals, band structure, and the density of states, the program can also compute quantities such as the linear absorption spectrum, and the electro-absorption spectrum of these systems. Solution method: For a one-dimensional periodic π-conjugated system lying in the xy-plane, the single-particle Bloch orbitals are expressed as linear combinations of p-orbitals of individual atoms. Then using various parameters defining the P-P-P Hamiltonian, the Hartree-Fock equations are set up as a matrix eigenvalue problem in the k-space. Thereby, its solutions are obtained in a self-consistent manner, using the iterative diagonalizing technique at several k points. The band structure and the corresponding Bloch orbitals thus obtained are used to perform a variety of calculations such as the density of states, linear optical absorption spectrum, electro-absorption spectrum, etc. Running time: Most of the examples provided take only a few seconds to run. For a large system, however, depending on the system size, the run time may be a few minutes to a few hours.

Hybrid simulations of solenoidal radio-frequency inductively coupled hydrogen discharges at low pressures

NASA Astrophysics Data System (ADS)

Yang, Wei; Li, Hong; Gao, Fei; Wang, You-Nian

2016-12-01

In this article, we have described a radio-frequency (RF) inductively coupled H2 plasma using a hybrid computational model, incorporating the Maxwell equations and the linear part of the electron Boltzmann equation into global model equations. This report focuses on the effects of RF frequency, gas pressure, and coil current on the spatial profiles of the induced electric field and plasma absorption power density. The plasma parameters, i.e., plasma density, electron temperature, density of negative ion, electronegativity, densities of neutral species, and dissociation degree of H2, as a function of absorption power, are evaluated at different gas pressures. The simulation results show that the utilization efficiency of the RF source characterized by the coupling efficiency of the RF electric field and power to the plasma can be significantly improved at the low RF frequency, gas pressure, and coil current, due to a low plasma density in these cases. The densities of vibrational states of H2 first rapidly increase with increasing absorption power and then tend to saturate. This is because the rapidly increased dissociation degree of H2 with increasing absorption power somewhat suppresses the increase of the vibrational states of H2, thus inhibiting the increase of the H-. The effects of absorption power on the utilization efficiency of the RF source and the production of the vibrational states of H2 should be considered when setting a value of the coil current. To validate the model simulations, the calculated electron density and temperature are compared with experimental measurements, and a reasonable agreement is achieved.

Nonlinear Terahertz Absorption of Graphene Plasmons.

PubMed

Jadidi, Mohammad M; König-Otto, Jacob C; Winnerl, Stephan; Sushkov, Andrei B; Drew, H Dennis; Murphy, Thomas E; Mittendorff, Martin

2016-04-13

Subwavelength graphene structures support localized plasmonic resonances in the terahertz and mid-infrared spectral regimes. The strong field confinement at the resonant frequency is predicted to significantly enhance the light-graphene interaction, which could enable nonlinear optics at low intensity in atomically thin, subwavelength devices. To date, the nonlinear response of graphene plasmons and their energy loss dynamics have not been experimentally studied. We measure and theoretically model the terahertz nonlinear response and energy relaxation dynamics of plasmons in graphene nanoribbons. We employ a terahertz pump-terahertz probe technique at the plasmon frequency and observe a strong saturation of plasmon absorption followed by a 10 ps relaxation time. The observed nonlinearity is enhanced by 2 orders of magnitude compared to unpatterned graphene with no plasmon resonance. We further present a thermal model for the nonlinear plasmonic absorption that supports the experimental results. The model shows that the observed strong linearity is caused by an unexpected red shift of plasmon resonance together with a broadening and weakening of the resonance caused by the transient increase in electron temperature. The model further predicts that even greater resonant enhancement of the nonlinear response can be expected in high-mobility graphene, suggesting that nonlinear graphene plasmonic devices could be promising candidates for nonlinear optical processing.

QED-driven laser absorption

NASA Astrophysics Data System (ADS)

Levy, Matthew; Blackburn, T.; Ratan, N.; Sadler, J.; Ridgers, C.; Kasim, M.; Ceurvorst, L.; Holloway, J.; Baring, M.; Bell, A.; Glenzer, S.; Gregori, G.; Ilderton, A.; Marklund, M.; Tabak, M.; Wilks, S.; Norreys, P.

2016-10-01

Absorption covers the physical processes which convert intense photon flux into energetic particles when a high-power laser (I >1018 W cm-2 where I is intensity at 1 μm wavelength) illuminates optically-thick matter. It underpins important applications of petawatt laser systems today, e.g., in isochoric heating of materials. Next-generation lasers such as ELI are anticipated to produce quantum electrodynamical (QED) bursts of γ-rays and anti-matter via the multiphoton Breit-Wheeler process which could enable scaled laboratory probes, e.g., of black hole winds. Here, applying strong-field QED to advances in plasma kinematic theory, we present a model elucidating absorption limited only by an avalanche of self-created electron-positron pairs at ultra-high-field. The model, confirmed by multidimensional QED-PIC simulations, works over six orders of magnitude in optical intensity and reveals this cascade is initiated at 1.8 x 1025 W cm-2 using a realistic linearly-polarized laser pulse. Here the laser couples its energy into highly-collimated electrons, ions, γ-rays, and positrons at 12%, 6%, 58% and 13% efficiency, respectively. We remark on attributes of the QED plasma state and possible applications.

Effect of solvent on absorption spectra of all-trans-{beta}-carotene under high pressure

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

Liu, W. L.; Zheng, Z. R.; Liu, Z. G.

The absorption spectra of all-trans-{beta}-carotene in n-hexane and carbon disulfide (CS{sub 2}) solutions are measured under high pressure at ambient temperature. The common redshift and broadening in the spectra are observed. Simulation of the absorption spectra was performed by using the time-domain formula of the stochastic model. The pressure dependence of the 0-0 band wavenumber is in agreement with the Bayliss theory at pressure higher than 0.2 GPa. The deviation of the linearity at lower pressure is ascribed to the reorientation of the solvent molecules. Both the redshift and broadening are stronger in CS{sub 2} than that in n-hexane becausemore » of the more sensitive pressure dependence of dispersive interactions in CS{sub 2} solution. The effect of pressure on the transition moment is explained with the aid of a simple model involving the relative dimension, location, and orientation of the solute and solvent molecules. The implication of these results for light-harvesting functions of carotenoids in photosynthesis is also discussed.« less

Variation in sensitivity, absorption and density of the central rod distribution with eccentricity.

PubMed

Tornow, R P; Stilling, R

1998-01-01

To assess the human rod photopigment distribution and sensitivity with high spatial resolution within the central +/-15 degrees and to compare the results of pigment absorption, sensitivity and rod density distribution (number of rods per square degree). Rod photopigment density distribution was measured with imaging densitometry using a modified Rodenstock scanning laser ophthalmoscope. Dark-adapted sensitivity profiles were measured with green stimuli (17' arc diameter, 1 degrees spacing) using a T ubingen manual perimeter. Sensitivity profiles were plotted on a linear scale and rod photopigment optical density distribution profiles were converted to absorption profiles of the rod photopigment layer. Both the absorption profile of the rod photopigment and the linear sensitivity profile for green stimuli show a minimum at the foveal center and increase steeply with eccentricity. The variation with eccentricity corresponds to the rod density distribution. Rod photopigment absorption profiles, retinal sensitivity profiles, and the rod density distribution are linearly related within the central +/-15 degrees. This is in agreement with theoretical considerations. Both methods, imaging retinal densitometry using a scanning laser ophthalmoscope and dark-adapted perimetry with small green stimuli, are useful for assessing the central rod distribution and sensitivity. However, at present, both methods have limitations. Suggestions for improving the reliability of both methods are given.

Effect of water vapor on sound absorption in nitrogen at low frequency/pressure ratios

NASA Technical Reports Server (NTRS)

Zuckerwar, A. J.; Griffin, W. A.

1981-01-01

Sound absorption measurements were made in N2-H2O binary mixtures at 297 K over the frequency/pressure range f/P of 0.1-2500 Hz/atm to investigate the vibrational relaxation peak of N2 and its location on f/P axis as a function of humidity. At low humidities the best fit to a linear relationship between the f/P(max) and humidity yields an intercept of 0.013 Hz/atm and a slope of 20,000 Hz/atm-mole fraction. The reaction rate constants derived from this model are lower than those obtained from the extrapolation of previous high-temperature data.

Temperature dependence of the optical absorption spectra of InP/ZnS quantum dots

NASA Astrophysics Data System (ADS)

Savchenko, S. S.; Vokhmintsev, A. S.; Weinstein, I. A.

2017-03-01

The optical-absorption spectra of InP/ZnS (core/shell) quantum dots have been studied in a broad temperature range of T = 6.5-296 K. Using the second-order derivative spectrophotometry technique, the energies of optical transitions at room temperature were found to be E 1 = 2.60 ± 0.02 eV (for the first peak of excitonic absorption in the InP core) and E 2 = 4.70 ± 0.02 eV (for processes in the ZnS shell). The experimental curve of E 1( T) has been approximated for the first time in the framework of a linear model and in terms of the Fan's formula. It is established that the temperature dependence of E 1 is determined by the interaction of excitons and longitudinal acoustic phonons with hω = 15 meV.

Elastic properties and optical absorption studies of mixed alkali borogermanate glasses

NASA Astrophysics Data System (ADS)

Taqiullah, S. M.; Ahmmad, Shaik Kareem; Samee, M. A.; Rahman, Syed

2018-05-01

First time the mixed alkali effect (MAE) has been investigated in the glass system xNa2O-(30-x)Li2O-40B2O3- 30GeO2 (0≤x≤30 mol%) through density and optical absorption studies. The present glasses were prepared by melt quench technique. The density of the present glasses varies non-linearly exhibiting mixed alkali effect. Using the density data, the elastic moduli namely Young's modulus, bulk and shear modulus show strong linear dependence as a function of compositional parameter. From the absorption edge studies, the values of optical band gap energies for all transitions have been evaluated. It was established that the type of electronic transition in the present glass system is indirect allowed. The indirect optical band gap exhibit non-linear behavior with compositional parameter showing the mixed alkali effect.

Quasi-linear modeling of lower hybrid current drive in ITER and DEMO

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

Cardinali, A., E-mail: alessandro.cardinali@enea.it; Cesario, R.; Panaccione, L.

2015-12-10

First pass absorption of the Lower Hybrid waves in thermonuclear devices like ITER and DEMO is modeled by coupling the ray tracing equations with the quasi-linear evolution of the electron distribution function in 2D velocity space. As usually assumed, the Lower Hybrid Current Drive is not effective in a plasma of a tokamak fusion reactor, owing to the accessibility condition which, depending on the density, restricts the parallel wavenumber to values greater than n{sub ∥crit} and, at the same time, to the high electron temperature that would enhance the wave absorption and then restricts the RF power deposition to themore » very periphery of the plasma column (near the separatrix). In this work, by extensively using the “ray{sup star}” code, a parametric study of the propagation and absorption of the LH wave as function of the coupled wave spectrum (as its width, and peak value), has been performed very accurately. Such a careful investigation aims at controlling the power deposition layer possibly in the external half radius of the plasma, thus providing a valuable aid to the solution of how to control the plasma current profile in a toroidal magnetic configuration, and how to help the suppression of MHD mode that can develop in the outer part of the plasma. This analysis is useful not only for exploring the possibility of profile control of a pulsed operation reactor as well as the tearing mode stabilization, but also in order to reconsider the feasibility of steady state regime for DEMO.« less

Plasmonic modes in nanowire dimers: A study based on the hydrodynamic Drude model including nonlocal and nonlinear effects

NASA Astrophysics Data System (ADS)

Moeferdt, Matthias; Kiel, Thomas; Sproll, Tobias; Intravaia, Francesco; Busch, Kurt

2018-02-01

A combined analytical and numerical study of the modes in two distinct plasmonic nanowire systems is presented. The computations are based on a discontinuous Galerkin time-domain approach, and a fully nonlinear and nonlocal hydrodynamic Drude model for the metal is utilized. In the linear regime, these computations demonstrate the strong influence of nonlocality on the field distributions as well as on the scattering and absorption spectra. Based on these results, second-harmonic-generation efficiencies are computed over a frequency range that covers all relevant modes of the linear spectra. In order to interpret the physical mechanisms that lead to corresponding field distributions, the associated linear quasielectrostatic problem is solved analytically via conformal transformation techniques. This provides an intuitive classification of the linear excitations of the systems that is then applied to the full Maxwell case. Based on this classification, group theory facilitates the determination of the selection rules for the efficient excitation of modes in both the linear and nonlinear regimes. This leads to significantly enhanced second-harmonic generation via judiciously exploiting the system symmetries. These results regarding the mode structure and second-harmonic generation are of direct relevance to other nanoantenna systems.

Effect of Poisson's loss factor of rubbery material on underwater sound absorption of anechoic coatings

NASA Astrophysics Data System (ADS)

Zhong, Jie; Zhao, Honggang; Yang, Haibin; Yin, Jianfei; Wen, Jihong

2018-06-01

Rubbery coatings embedded with air cavities are commonly used on underwater structures to reduce reflection of incoming sound waves. In this paper, the relationships between Poisson's and modulus loss factors of rubbery materials are theoretically derived, the different effects of the tiny Poisson's loss factor on characterizing the loss factors of shear and longitudinal moduli are revealed. Given complex Young's modulus and dynamic Poisson's ratio, it is found that the shear loss factor has almost invisible variation with the Poisson's loss factor and is very close to the loss factor of Young's modulus, while the longitudinal loss factor almost linearly decreases with the increase of Poisson's loss factor. Then, a finite element (FE) model is used to investigate the effect of the tiny Poisson's loss factor, which is generally neglected in some FE models, on the underwater sound absorption of rubbery coatings. Results show that the tiny Poisson's loss factor has a significant effect on the sound absorption of homogeneous coatings within the concerned frequency range, while it has both frequency- and structure-dependent influence on the sound absorption of inhomogeneous coatings with embedded air cavities. Given the material parameters and cavity dimensions, more obvious effect can be observed for the rubbery coating with a larger lattice constant and/or a thicker cover layer.

OPTICAL HYDROGEN ABSORPTION CONSISTENT WITH A THIN BOW SHOCK LEADING THE HOT JUPITER HD 189733B

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

Cauley, P. Wilson; Redfield, Seth; Jensen, Adam G.

Bow shocks are ubiquitous astrophysical phenomena resulting from the supersonic passage of an object through a gas. Recently, pre-transit absorption in UV metal transitions of the hot Jupiter (HJ) exoplanets HD 189733b and WASP12-b have been interpreted as being caused by material compressed in a planetary bow shock. Here we present a robust detection of a time-resolved pre-transit, as well as in-transit absorption signature around the HJ exoplanet HD 189733b using high spectral resolution observations of several hydrogen Balmer lines. The line shape of the pre-transit feature and the shape of the timeseries absorption provide the strongest constraints on themore » morphology and physical characteristics of extended structures around an exoplanet. The in-transit measurements confirm the previous exospheric Hα detection, although the absorption depth measured here is ∼50% lower. The pre-transit absorption feature occurs 125 minutes before the predicted optical transit, a projected linear distance from the planet to the stellar disk of 7.2 R{sub p}. The absorption strength observed in the Balmer lines indicates an optically thick, but physically small, geometry. We model this signal as the early ingress of a planetary bow shock. If the bow shock is mediated by a planetary magnetosphere, the large standoff distance derived from the model suggests a large planetary magnetic field strength of B{sub eq} = 28 G. Better knowledge of exoplanet magnetic field strengths is crucial to understanding the role these fields play in planetary evolution and the potential development of life on planets in the habitable zone.« less

Dual-energy X-ray analysis using synchrotron computed tomography at 35 and 60 keV for the estimation of photon interaction coefficients describing attenuation and energy absorption.

PubMed

Midgley, Stewart; Schleich, Nanette

2015-05-01

A novel method for dual-energy X-ray analysis (DEXA) is tested using measurements of the X-ray linear attenuation coefficient μ. The key is a mathematical model that describes elemental cross sections using a polynomial in atomic number. The model is combined with the mixture rule to describe μ for materials, using the same polynomial coefficients. Materials are characterized by their electron density Ne and statistical moments Rk describing their distribution of elements, analogous to the concept of effective atomic number. In an experiment with materials of known density and composition, measurements of μ are written as a system of linear simultaneous equations, which is solved for the polynomial coefficients. DEXA itself involves computed tomography (CT) scans at two energies to provide a system of non-linear simultaneous equations that are solved for Ne and the fourth statistical moment R4. Results are presented for phantoms containing dilute salt solutions and for a biological specimen. The experiment identifies 1% systematic errors in the CT measurements, arising from third-harmonic radiation, and 20-30% noise, which is reduced to 3-5% by pre-processing with the median filter and careful choice of reconstruction parameters. DEXA accuracy is quantified for the phantom as the mean absolute differences for Ne and R4: 0.8% and 1.0% for soft tissue and 1.2% and 0.8% for bone-like samples, respectively. The DEXA results for the biological specimen are combined with model coefficients obtained from the tabulations to predict μ and the mass energy absorption coefficient at energies of 10 keV to 20 MeV.

Nonlinear Optical Fiber Arrays for Limiting Application

DTIC Science & Technology

2006-09-05

Absorption [ RSA ], Two-Photon Absorption [TPA] and Excited State Absorption [ESA] or Nonlinear Scattering properties [NS] (e.g. carbon black suspension...practical implementation: I. "Saturation Effect and Dynamic Range" - In general, RSA materials have low switching threshold (<<pJ), but are (linearly...transition between the molecular levels involved, RSA materials can be easily ’bleached’, i.e. the absorption electronic state is depopulated by the laser. TPA

Metallic Iron and Iron Oxide as an Explanation for the Dark Material Observed on Saturn's Icy Satellites and Rings with Cassini VIMS

NASA Astrophysics Data System (ADS)

Clark, Roger Nelson; Cruikshank, D. P.; Jaumann, R.; Brown, R. H.; Dalle Ore, C.; Stephan, K.; Hoefen, T. M.; Curchin, J. M.; Buratti, B. J.; Filacchione, G.; Baines, K. H.; Nicholson, P. D.

2010-10-01

The Visual and Infrared Mapping Spectrometer (VIMS) on Cassini has obtained spatially resolved spectra on satellites of Saturn. The Cassini Rev 49 Iapetus fly-by on September 10, 2007, provided data on both the dark material and the transition zone between the dark material and the visually bright ice. The dark material has low albedo with a linear increase in reflectance with wavelength, 3-micron water, and CO2 absorptions. The transition between bright and dark regions shows mixing with unusual optical properties including increased blue scattering and increasing strength of a UV absorber in areas with stronger ice absorptions. Similar spectral effects are observed on other Saturnian satellites and in the rings. We have been unable to match these spectral properties and trends using tholins and carbon compounds. However, the dark material is spectrally matched by fine-grained metallic iron plus nano-phase hematite and adsorbed water which contribute UV and 3-micron absorption, respectively. The blue scattering peak and UV absorption can be explained by Rayleigh scattering from sub-micron particles with a UV absorption, or a combination of Rayleigh scattering and Rayleigh absorption as has been attributed to spectral properties of the Moon. A new radiative transfer model that includes Rayleigh scattering and Rayleigh absorption has been constructed. Models of ice, sub-micron metallic iron, hydrated iron oxide, and trace CO2 explain the observed spectra. Rayleigh absorption requires high absorption coefficient nano-sized particles, which is also consistent with metallic iron. The UV absorber appears to have increased strength on satellite surfaces close to Saturn, with a corresponding decrease in metallic iron signature. A possible explanation is that the iron is oxidized closer to Saturn by oxygen in the extended atmosphere of Saturn's rings, or the dark material is simply covered by clean fine-grained ice particles, for example, from the E-ring.

Nanoscale infrared absorption spectroscopy of individual nanoparticles enabled by scattering-type near-field microscopy.

PubMed

Stiegler, Johannes M; Abate, Yohannes; Cvitkovic, Antonija; Romanyuk, Yaroslav E; Huber, Andreas J; Leone, Stephen R; Hillenbrand, Rainer

2011-08-23

Infrared absorption spectroscopy is a powerful and widely used tool for analyzing the chemical composition and structure of materials. Because of the diffraction limit, however, it cannot be applied for studying individual nanostructures. Here we demonstrate that the phase contrast in substrate-enhanced scattering-type scanning near-field optical microscopy (s-SNOM) provides a map of the infrared absorption spectrum of individual nanoparticles with nanometer-scale spatial resolution. We succeeded in the chemical identification of silicon nitride nanoislands with heights well below 10 nm, by infrared near-field fingerprint spectroscopy of the Si-N stretching bond. Employing a novel theoretical model, we show that the near-field phase spectra of small particles correlate well with their far-field absorption spectra. On the other hand, the spectral near-field contrast does not scale with the volume of the particles. We find a nearly linear scaling law, which we can attribute to the near-field coupling between the near-field probe and the substrate. Our results provide fundamental insights into the spectral near-field contrast of nanoparticles and clearly demonstrate the capability of s-SNOM for nanoscale chemical mapping based on local infrared absorption. © 2011 American Chemical Society

A Successful Attempt to Obtain the Linear Dependence Between One-Photon and Two-Photon Spectral Properties and Hammett Parameters of Various Aromatic Substituents in New π-Extended Asymmetric Organic Chromophores.

PubMed

Hu, Nvdan; Gong, Yulong; Wang, Xinchao; Lu, Yao; Peng, Guangyue; Yang, Long; Zhang, Shengtao; Luo, Ziping; Li, Hongru; Gao, Fang

2015-11-01

A series of new asymmetric chromophores containing aromatic substituents and possessing the excellent π-extension in space were prepared through multi-steps routes. One-photon and two-photon spectral properties of these new chromophores could be tuned by these substituents finely and simultaneously. The linear correlation of the wave numbers of the one-photon absorption and emission maxima to Hammett parameters of these substituents was presented. Near infrared two-photon absorption emission integrated areas of the target chromophores were correlated linearly to Hammett constants of these substituted groups.

Modeling the intracellular pathogen-immune interaction with cure rate

NASA Astrophysics Data System (ADS)

Dubey, Balram; Dubey, Preeti; Dubey, Uma S.

2016-09-01

Many common and emergent infectious diseases like Influenza, SARS, Hepatitis, Ebola etc. are caused by viral pathogens. These infections can be controlled or prevented by understanding the dynamics of pathogen-immune interaction in vivo. In this paper, interaction of pathogens with uninfected and infected cells in presence or absence of immune response are considered in four different cases. In the first case, the model considers the saturated nonlinear infection rate and linear cure rate without absorption of pathogens into uninfected cells and without immune response. The next model considers the effect of absorption of pathogens into uninfected cells while all other terms are same as in the first case. The third model incorporates innate immune response, humoral immune response and Cytotoxic T lymphocytes (CTL) mediated immune response with cure rate and without absorption of pathogens into uninfected cells. The last model is an extension of the third model in which the effect of absorption of pathogens into uninfected cells has been considered. Positivity and boundedness of solutions are established to ensure the well-posedness of the problem. It has been found that all the four models have two equilibria, namely, pathogen-free equilibrium point and pathogen-present equilibrium point. In each case, stability analysis of each equilibrium point is investigated. Pathogen-free equilibrium is globally asymptotically stable when basic reproduction number is less or equal to unity. This implies that control or prevention of infection is independent of initial concentration of uninfected cells, infected cells, pathogens and immune responses in the body. The proposed models show that introduction of immune response and cure rate strongly affects the stability behavior of the system. Further, on computing basic reproduction number, it has been found to be minimum for the fourth model vis-a-vis other models. The analytical findings of each model have been exemplified by numerical simulations.

Fractal-Like Materials Design with Optimized Radiative Properties for High-Efficiency Solar Energy Conversion

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

Ho, Clifford K.; Ortega, Jesus D.; Christian, Joshua Mark

Novel designs to increase light trapping and thermal efficiency of concentrating solar receivers at multiple length scales have been conceived, designed, and tested. The fractal-like geometries and features are introduced at both macro (meters) and meso (millimeters to centimeters) scales. Advantages include increased solar absorptance, reduced thermal emittance, and increased thermal efficiency. Radial and linear structures at the meso (tube shape and geometry) and macro (total receiver geometry and configuration) scales redirect reflected solar radiation toward the interior of the receiver for increased absorptance. Hotter regions within the interior of the receiver can reduce thermal emittance due to reduced localmore » view factors to the environment, and higher concentration ratios can be employed with similar surface irradiances to reduce the effective optical aperture, footprint, and thermal losses. Coupled optical/fluid/thermal models have been developed to evaluate the performance of these designs relative to conventional designs. Modeling results showed that fractal-like structures and geometries can increase the effective solar absorptance by 5 – 20% and the thermal efficiency by several percentage points at both the meso and macro scales, depending on factors such as intrinsic absorptance. Meso-scale prototypes were fabricated using additive manufacturing techniques, and a macro-scale bladed receiver design was fabricated using Inconel 625 tubes. On-sun tests were performed using the solar furnace and solar tower at the National Solar Thermal Test facility. The test results demonstrated enhanced solar absorptance and thermal efficiency of the fractal-like designs.« less

Spectroscopic ellipsometry study of Cu2ZnSnS4 bulk poly-crystals

NASA Astrophysics Data System (ADS)

Levcenko, S.; Hajdeu-Chicarosh, E.; Garcia-Llamas, E.; Caballero, R.; Serna, R.; Bodnar, I. V.; Victorov, I. A.; Guc, M.; Merino, J. M.; Pérez-Rodriguez, A.; Arushanov, E.; León, M.

2018-04-01

The linear optical properties of Cu2ZnSnS4 bulk poly-crystals have been investigated using spectroscopic ellipsometry in the range of 1.2-4.6 eV at room temperature. The characteristic features identified in the optical spectra are explained by using the Adachi analytical model for the interband transitions at the corresponding critical points in the Brillouin zone. The experimental data have been modeled over the entire spectral range taking into account the lowest E0 transition near the fundamental absorption edge and E1A and E1B higher energy interband transitions. In addition, the spectral dependences of the refractive index, extinction coefficient, absorption coefficient, and normal-incidence reflectivity values have been accurately determined and are provided since they are essential data for the design of Cu2ZnSnS4 based optoelectronic devices.

Modeling ultrafast solvated electronic dynamics using time-dependent density functional theory and polarizable continuum model.

PubMed

Liang, Wenkel; Chapman, Craig T; Ding, Feizhi; Li, Xiaosong

2012-03-01

A first-principles solvated electronic dynamics method is introduced. Solvent electronic degrees of freedom are coupled to the time-dependent electronic density of a solute molecule by means of the implicit reaction field method, and the entire electronic system is propagated in time. This real-time time-dependent approach, incorporating the polarizable continuum solvation model, is shown to be very effective in describing the dynamical solvation effect in the charge transfer process and yields a consistent absorption spectrum in comparison to the conventional linear response results in solution. © 2012 American Chemical Society

Science and software support for spacecraft solar occultation experiments

NASA Technical Reports Server (NTRS)

Hessameddin, G.; Becher, J.

1982-01-01

The temperature dependence of absorption coefficients of ozone was studied between 7567 A and 3630 A. When the gas was cooled from room temperature to -108 C, an overall increase in the absorption coefficients was noticed. The maximum increase of 5% occurred at lambda = 6020 A. In general, the absorption is linearly dependent on temperature.

Thermal infrared spectroscopy and modeling of experimentally shocked plagioclase feldspars

USGS Publications Warehouse

Johnson, J. R.; Horz, F.; Staid, M.I.

2003-01-01

Thermal infrared emission and reflectance spectra (250-1400 cm-1; ???7???40 ??m) of experimentally shocked albite- and anorthite-rich rocks (17-56 GPa) demonstrate that plagioclase feldspars exhibit characteristic degradations in spectral features with increasing pressure. New measurements of albite (Ab98) presented here display major spectral absorptions between 1000-1250 cm-1 (8-10 ??m) (due to Si-O antisymmetric stretch motions of the silica tetrahedra) and weaker absorptions between 350-700 cm-1 (14-29 ??m) (due to Si-O-Si octahedral bending vibrations). Many of these features persist to higher pressures compared to similar features in measurements of shocked anorthite, consistent with previous thermal infrared absorption studies of shocked feldspars. A transparency feature at 855 cm-1 (11.7 ??m) observed in powdered albite spectra also degrades with increasing pressure, similar to the 830 cm-1 (12.0 ??m) transparency feature in spectra of powders of shocked anorthite. Linear deconvolution models demonstrate that combinations of common mineral and glass spectra can replicate the spectra of shocked anorthite relatively well until shock pressures of 20-25 GPa, above which model errors increase substantially, coincident with the onset of diaplectic glass formation. Albite deconvolutions exhibit higher errors overall but do not change significantly with pressure, likely because certain clay minerals selected by the model exhibit absorption features similar to those in highly shocked albite. The implication for deconvolution of thermal infrared spectra of planetary surfaces (or laboratory spectra of samples) is that the use of highly shocked anorthite spectra in end-member libraries could be helpful in identifying highly shocked calcic plagioclase feldspars.

Quantification of the dynamic changes in the absorption coefficient of liquid water at erbium:YAG and carbon dioxide laser wavelengths

NASA Astrophysics Data System (ADS)

Shori, Ramesh K.

The interaction of high-intensity, short-pulsed radiation with liquid water results in dynamic changes in the optical absorption coefficient of water. These changes and their implications, as related to mid-infrared laser ablation of tissue, were not investigated until the late 1980's and early 1990's. Classical models of absorption and heating do not explain the dynamic, non-linear changes in water. The objective of the present work was to quantify the dynamic changes in the absorption coefficient of liquid water as a function of incident energy at three clinically relevant infrared wavelengths (λ = 2.94, 9.6, 10.6 μm). To investigate the changes in the absorption spectrum of water in the 3-μm band, a stable, high-energy Q- switched Er:YAG laser emitting 2.94-μm radiation in a near-perfect TEMoo spatial beam profile was developed. Key to the development of this laser was careful attention to the gain medium, optical pump system, system optics, and the thermal system. The final system design was capable of emitting 110 mJ/pulse at of 2-4 Hz with a lamp lifetime exceeding 12 million pulses The laser was used in two sets of experiments in order to quantify the above changes. First, the laser was used to measure the velocity of the shock front produced by vaporizing a gelatin-based tissue phantom. The measured shock velocity was related to the optical energy absorbed by the tissue phantom and the absorption coefficient, based on the pressure relationships derived using a 1-D piston model for an expanding plume. The shock front velocity measurements indicate that the absorption coefficient is constant for incident fluences less than 20 J/cm2, a result consistent with transmission data. For higher fluences, the data indicate a decrease in the absorption coefficient, which is again consistent with transmission data. Quantification of the absorption coefficient can, however, not be made without violating assumptions that form the basis for the 1-D piston model. Second, the laser was used to measure the optical transmission across water layers of known thicknesses. The data were used to develop a Dynamic Saturable Absorption (DSA) model to predict the dynamic changes in the absorption coefficient of water as a function of incident energy. The DSA model, based in part upon the homogeneous broadening of an atomic transition in a laser gain medium, accurately predicts the absorption coefficient of water over a wide range of incident fluences. One sees saturation of the absorption at both high and low fluence with a monotonic decrease in absorption with increasing fluence. Transmission measurements were also made at 9.6 and 10.6 μm using a TEA CO2 laser. The data show essentially no change in the absorption coefficient as the fluence is varied. The results from the experiments make a significant contribution towards an understanding of the relationship among the dynamic optical properties of water and clinically relevant properties such as ablation rate and residual thermal damage.

X-ray absorption spectroscopy of LiBF 4 in propylene carbonate. A model lithium ion battery electrolyte

DOE PAGES

Smith, Jacob W.; Lam, Royce K.; Sheardy, Alex T.; ...

2014-08-20

Since their introduction into the commercial marketplace in 1991, lithium ion batteries have become increasingly ubiquitous in portable technology. Nevertheless, improvements to existing battery technology are necessary to expand their utility for larger-scale applications, such as electric vehicles. Advances may be realized from improvements to the liquid electrolyte; however, current understanding of the liquid structure and properties remains incomplete. X-ray absorption spectroscopy of solutions of LiBF 4 in propylene carbonate (PC), interpreted using first-principles electronic structure calculations within the eXcited electron and Core Hole (XCH) approximation, yields new insight into the solvation structure of the Li + ion in thismore » model electrolyte. By generating linear combinations of the computed spectra of Li +-associating and free PC molecules and comparing to the experimental spectrum, we find a Li +–solvent interaction number of 4.5. This result suggests that computational models of lithium ion battery electrolytes should move beyond tetrahedral coordination structures.« less

Sound velocity and absorption in a coarsening foam.

PubMed

Mujica, Nicolás; Fauve, Stéphan

2002-08-01

We present experimental measurements of sound velocity and absorption in a commercial shaving foam. We observe that both quantities evolve with time as the foam coarsens increasing its mean bubble radius . By varying the acoustic frequency we probe the foam from the large wavelength regime, lambda approximately 1500, down to the scale lambda approximately 20. Sound absorption alpha varies significantly with both the foam age and the excitation frequency. After an initial transition time of 20 min, the attenuation per wavelength, alphalambda, varies linearly with the foam age. In addition, for evolution times smaller than approximately 90 min, we observe that alphalambda scales linearly with both foam age and frequency. From these scalings we show that the thermal dissipation mechanism is the dominant one. Sound velocity c is initially frequency independent but the medium becomes slightly dispersive as the foam coarsens. We observe that sound velocity depends on the evolution of the structure of the foam, even in the large wavelength regime. After 2 h of foam coarsening, c decreases at least by a factor of 20%, due to the softening of the foam. These facts are explained by considering the liquid matrix elasticity, due to the presence of surfactant molecules. A simple model of foam structure, combined with results of Biot's theory for porous media, gives both good qualitative and quantitative agreement with our experimental results in the low frequency regime.

Spectroradiometric monitoring for open outdoor culturing of algae and cyanobacteria

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

Reichardt, Thomas A.; Collins, Aaron M.; McBride, Robert C.

We assess the measurement of hyperspectral reflectance for the outdoor monitoring of green algae and cyanobacteria cultures with a multi-channel, fiber-coupled spectroradiometer. Reflectance data acquired over a four-week period are interpreted via numerical inversion of a reflectance model, in which the above-water reflectance is expressed as a quadratic function of the single backscattering albedo, dependent on the absorption and backscatter coefficients. The absorption coefficient is treated as the sum of component spectra consisting of the cultured species (green algae or cyanobacteria), dissolved organic matter, and water (including the temperature dependence of the water absorption spectrum). The backscatter coefficient is approximatedmore » as the scaled Hilbert transform of the culture absorption spectrum with a wavelength-independent vertical offset. Additional terms in the reflectance model account for the pigment fluorescence features and the water surface reflection of sunlight and skylight. For both the green algae and cyanobacteria, the wavelength-independent vertical offset of the backscatter coefficient is found to scale linearly with daily dry weight measurements, providing the capability for a non-sampling measurement of biomass in outdoor ponds. Other fitting parameters in the reflectance model are compared to auxiliary measurements and physics-based calculations. The magnitudes of the sunlight and skylight water-surface contributions derived from the reflectance model compare favorably with Fresnel reflectance calculations, while the reflectance-derived quantum efficiency of Chl-a fluorescence is found to be in agreement with literature values. To conlclude, the water temperature derived from the reflectance model exhibits excellent agreement with thermocouple measurements during the morning hours and highlights significantly elevated temperatures in the afternoon hours.« less

Spectroradiometric monitoring for open outdoor culturing of algae and cyanobacteria

DOE PAGES

Reichardt, Thomas A.; Collins, Aaron M.; McBride, Robert C.; ...

2014-08-20

We assess the measurement of hyperspectral reflectance for the outdoor monitoring of green algae and cyanobacteria cultures with a multi-channel, fiber-coupled spectroradiometer. Reflectance data acquired over a four-week period are interpreted via numerical inversion of a reflectance model, in which the above-water reflectance is expressed as a quadratic function of the single backscattering albedo, dependent on the absorption and backscatter coefficients. The absorption coefficient is treated as the sum of component spectra consisting of the cultured species (green algae or cyanobacteria), dissolved organic matter, and water (including the temperature dependence of the water absorption spectrum). The backscatter coefficient is approximatedmore » as the scaled Hilbert transform of the culture absorption spectrum with a wavelength-independent vertical offset. Additional terms in the reflectance model account for the pigment fluorescence features and the water surface reflection of sunlight and skylight. For both the green algae and cyanobacteria, the wavelength-independent vertical offset of the backscatter coefficient is found to scale linearly with daily dry weight measurements, providing the capability for a non-sampling measurement of biomass in outdoor ponds. Other fitting parameters in the reflectance model are compared to auxiliary measurements and physics-based calculations. The magnitudes of the sunlight and skylight water-surface contributions derived from the reflectance model compare favorably with Fresnel reflectance calculations, while the reflectance-derived quantum efficiency of Chl-a fluorescence is found to be in agreement with literature values. To conlclude, the water temperature derived from the reflectance model exhibits excellent agreement with thermocouple measurements during the morning hours and highlights significantly elevated temperatures in the afternoon hours.« less

Development of a Physiologically Relevant Population Pharmacokinetic in Vitro-in Vivo Correlation Approach for Designing Extended-Release Oral Dosage Formulation.

PubMed

Kim, Tae Hwan; Shin, Soyoung; Bulitta, Jürgen B; Youn, Yu Seok; Yoo, Sun Dong; Shin, Beom Soo

2017-01-03

Establishing a level A in vitro-in vivo correlation (IVIVC) for a drug with complex absorption kinetics is challenging. The objective of the present study was to develop an IVIVC approach based on population pharmacokinetic (POP-PK) modeling that incorporated physiologically relevant absorption kinetics. To prepare three extended release (ER) tablets of loxoprofen, three types of hydroxypropyl methylcellulose (HPMC 100, 4000, and 15000 cps) were used as drug release modifiers, while lactose and magnesium stearate were used as the diluent and lubricant, respectively. An in vitro dissolution test in various pH conditions showed that loxoprofen dissolution was faster at higher pH. The in vivo pharmacokinetics of loxoprofen was assessed following oral administration of the different loxoprofen formulations to Beagle dogs (n = 22 in total). Secondary peaks or shoulders were observed in many of the individual plasma concentration vs time profiles after ER tablet administration, which may result from secondary absorption in the intestine due to a dissolution rate increase under intestinal pH compared to that observed at stomach pH. In addition, in vivo oral bioavailability was found to decrease with prolonged drug dissolution, indicating site-specific absorption. Based on the in vitro dissolution and in vivo absorption data, a POP-PK IVIVC model was developed using S-ADAPT software. pH-dependent biphasic dissolution kinetics, described using modified Michaelis-Menten kinetics with varying V max , and site-specific absorption, modeled using a changeable absorbed fraction parameter, were applied to the POP-PK IVIVC model. To experimentally determine the biphasic dissolution profiles of the ER tablets, another in vitro dissolution test was conducted by switching dissolution medium pH based on an in vivo estimate of gastric emptying time. The model estimated, using linear regression, that in vivo initial maximum dissolution rate (V max (0) in vivo ) was highly correlated (r 2 > 0.998) with in vitro (V max (0) in vitro ), indicating that in vivo dissolution profiles obtained from POP-PK modeling could be converted to in vitro dissolution profiles and vice versa. Monte Carlo simulations were performed for model validation, and prediction errors for C max and AUC were all within the acceptable range (90 to 110%) according to the FDA guidelines. The developed model was successfully applied for the prediction of in vivo pharmacokinetics of a loxoprofen double-layered tablet using the in vitro dissolution profile. In conclusion, a level A IVIVC approach was developed and validated using population modeling that accounted for pH-dependent dissolution and site-specific absorption. Excellent correlations were observed between in vitro and in vivo dissolution profiles. This new approach holds great promise for the establishment of IVIVCs for drug and formulation development where absorption kinetics strongly depend on complex physiologically absorption processes.

Depletion of the vibrational ground state of CH4 in absorption spectroscopy at 3.4 μm in N2 and air in the 1-100 Torr range

NASA Astrophysics Data System (ADS)

Hausmaninger, Thomas; Zhao, Gang; Ma, Weiguang; Axner, Ove

2018-01-01

A model presented in an accompanying work predicts that mid-IR absorption signals from methane in trace concentrations in various buffer gases detected at pressures in the 1-100 Torr range can be reduced and distorted due to depletion of the vibrational ground state if the molecules are exposed to laser powers in the tens of mW range or above. This work provides experimental evidence of such depletion in a resonant cavity under a variety of conditions, e.g. for intracavity laser powers up to 2 W and for buffer gases of N2 or dry air, and verifies the applicability of the model. It was found that the degree of depletion is significantly larger in N2 than dry air, and that it increases with pressure for pressures up to around 10 Torr (attributed to a decreased diffusion rate) but decreases with pressure for pressures above 20 Torr (caused by an increased collisional vibrational decay rate). The maximum degree of depletion (∼80%) was obtained for methane in N2 at around 15 Torr. This implies that absorption spectrometry of methane can experience significant non-linear dependencies on laser power, pressure, as well as buffer gas composition. It is shown that depletion takes place also in 13CH4, which verifies the applicability of the model also for this isotopologue, and that NICE-OHMS signals detected in absorption phase are less affected by depletion than in dispersion. It was concluded that the absorption mode of detection can provide concentration assessments that are virtually free of influence of depletion for intracavity powers below 0.8 W.

Infrared reduction, an efficient method to control the non-linear optical property of graphene oxide in femtosecond regime

NASA Astrophysics Data System (ADS)

Bhattacharya, S.; Maiti, R.; Saha, S.; Das, A. C.; Mondal, S.; Ray, S. K.; Bhaktha, S. B. N.; Datta, P. K.

2016-04-01

Graphene Oxide (GO) has been prepared by modified Hummers method and it has been reduced using an IR bulb (800-2000 nm). Both as grown GO and reduced graphene oxide (RGO) have been characterized using Raman spectroscopy and X-ray photoelectron spectroscopy (XPS). Raman spectra shows well documented Dband and G-band for both the samples while blue shift of G-band confirms chemical functionalization of graphene with different oxygen functional group. The XPS result shows that the as-prepared GO contains 52% of sp2 hybridized carbon due to the C=C bonds and 33% of carbon atoms due to the C-O bonds. As for RGO, increment of the atomic % of the sp2 hybridized carbon atom to 83% and rapid decrease in atomic % of C=O bonds confirm an efficient reduction with infrared radiation. UV-Visible absorption spectrum also confirms increment of conjugation with increased reduction. Non-linear optical properties of both GO and RGO are measured using single beam open aperture Z-Scan technique in femtosecond regime. Intensity dependent nonlinear phenomena are observed. Depending upon the intensity, both saturable absorption and two photon absorption contribute to the non-linearity of both the samples. Saturation dominates at low intensity (~ 127 GW/cm2) while two photon absorption become prominent at higher intensities (from 217 GW/cm2 to 302 GW/cm2). We have calculated the two-photon absorption co-efficient and saturation intensity for both the samples. The value of two photon absorption co-efficient (for GO~ 0.0022-0.0037 cm/GW and for RGO~ 0.0128-0.0143 cm/GW) and the saturation intensity (for GO~57 GW/cm2 and for RGO~ 194GW/cm2) is increased with reduction. Increase in two photon absorption coefficient with increasing intensity can also suggest that there may be multi-photon absorption is taking place.

Excited-State Structure of Oligothiophene Dendrimers: Computational and Experimental Study

DTIC Science & Technology

2010-01-01

REPORT Excited-State Structure of Oligothiophene Dendrimers : Computational and Experimental Study 14. ABSTRACT 16. SECURITY CLASSIFICATION OF: The...nature of one and two-photon absorption enhancement in a series of oligothiophene dendrimers , recently proposed for applications in entangled photon...upconversion measurements). The linear absorption spectra exhibit a red shift of the absorption maxima and broadening as a function of dendrimer generations

Collisionless absorption of intense laser radiation in nanoplasma

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

Zaretsky, D F; Korneev, Philipp A; Popruzhenko, Sergei V

The rate of linear collisionless absorption of an electromagnetic radiation in a nanoplasma - classical electron gas localised in a heated ionised nanosystem (thin film or cluster) irradiated by an intense femtosecond laser pulse - is calculated. The absorption is caused by the inelastic electron scattering from the self-consistent potential of the system in the presence of a laser field. The effect proves to be appreciable because of a small size of the systems. General expressions are obtained for the absorption rate as a function of the parameters of the single-particle self-consistent potential and electron distribution function in the regimemore » linear in field. For the simplest cases, where the self-consistent field is created by an infinitely deep well or an infinite charged plane, closed analytic expressions are obtained for the absorption rate. Estimates presented in the paper demonstrate that, over a wide range of the parameters of laser pulses and nanostructures, the collisionless mechanism of heating electron subsystem can be dominant. The possibility of experimental observation of the collisionless absorption of intense laser radiation in nanoplasma is also discussed. (interaction of laser radiation with matter)« less

The stability analysis of the nutrition restricted dynamic model of the microalgae biomass growth

NASA Astrophysics Data System (ADS)

Ratianingsih, R.; Fitriani, Nacong, N.; Resnawati, Mardlijah, Widodo, B.

2018-03-01

The biomass production is very essential in microalgae farming such that its growth rate is very important to be determined. This paper proposes the dynamics model of it that restricted by its nutrition. The model is developed by considers some related processes that are photosynthesis, respiration, nutrition absorption, stabilization, lipid synthesis and CO2 mobilization. The stability of the dynamical system that represents the processes is analyzed using the Jacobian matrix of the linearized system in the neighborhood of its critical point. There is a lipid formation threshold needed to require its existence. In such case, the absorption rate of respiration process has to be inversely proportional to the absorption rate of CO2 due to photosynthesis process. The Pontryagin minimal principal also shows that there are some requirements needed to have a stable critical point, such as the rate of CO2 released rate, due to the stabilization process that is restricted by 50%, and the threshold of its shifted critical point. In case of the rate of CO2 released rate due to the photosynthesis process is restricted in such interval; the stability of the model at the critical point could not be satisfied anymore. The simulation shows that the external nutrition plays a role in glucose formation such that sufficient for the biomass growth and the lipid production.

Optical Measurement of Radiocarbon below Unity Fraction Modern by Linear Absorption Spectroscopy.

PubMed

Fleisher, Adam J; Long, David A; Liu, Qingnan; Gameson, Lyn; Hodges, Joseph T

2017-09-21

High-precision measurements of radiocarbon ( 14 C) near or below a fraction modern 14 C of 1 (F 14 C ≤ 1) are challenging and costly. An accurate, ultrasensitive linear absorption approach to detecting 14 C would provide a simple and robust benchtop alternative to off-site accelerator mass spectrometry facilities. Here we report the quantitative measurement of 14 C in gas-phase samples of CO 2 with F 14 C < 1 using cavity ring-down spectroscopy in the linear absorption regime. Repeated analysis of CO 2 derived from the combustion of either biogenic or petrogenic sources revealed a robust ability to differentiate samples with F 14 C < 1. With a combined uncertainty of 14 C/ 12 C = 130 fmol/mol (F 14 C = 0.11), initial performance of the calibration-free instrument is sufficient to investigate a variety of applications in radiocarbon measurement science including the study of biofuels and bioplastics, illicitly traded specimens, bomb dating, and atmospheric transport.

Linear and nonlinear magneto-optical absorption in a triangular quantum well

NASA Astrophysics Data System (ADS)

Tung, Luong V.; Vinh, Pham T.; Dinh, Le; Phuc, Huynh V.

2018-05-01

In this work, we study the linear and nonlinear magneto-optical absorption spectrum in a triangular quantum well (TrQW) created by the applied electric field via investigating the phonon-assisted cyclotron resonance (PACR) effect. The results are calculated for a specific Ga0.7Al0.3As/GaAs quantum well. The magneto-optical absorption coefficient (MOAC) and the full width at half maximum (FWHM) are found to be significantly dependent on the magnetic field, the electric field and the temperature. Our results showed that the MOAC and FWHM increase with the magnetic, electric fields and temperature. The obtained results also suggest a useful way to control the magneto-optical properties of TrQW by changing these parameters.

Hybrid-PIC modeling of laser-plasma interactions and hot electron generation in gold hohlraum walls

NASA Astrophysics Data System (ADS)

Thoma, C.; Welch, D. R.; Clark, R. E.; Rose, D. V.; Golovkin, I. E.

2017-06-01

The walls of the hohlraum used in experiments at the national ignition facility are heated by laser beams with intensities ˜ 10 15 W/cm2, a wavelength of ˜ 1 / 3 μm, and pulse lengths on the order of a ns, with collisional absorption believed to be the primary heating mechanism. X-rays generated by the hot ablated plasma at the gold walls are then used to implode a target in the hohlraum interior. In addition to the collisional absorption of laser energy at the walls, non-linear laser-plasma interactions (LPI), such as stimulated Raman scattering and two plasmon decay, are believed to generate a population of supra-thermal electrons which, if present in the hohlraum, can have a deleterious effect on target implosion. We describe results of hohlraum modeling using a hybrid particle-in-cell code. To enable this work, new particle-based algorithms for a multiple-ion magneto-hydrodynamic (MHD) treatment, and a particle-based ray-tracing model were developed. The use of such hybrid methods relaxes the requirement to resolve the laser wavelength, and allows for relatively large-scale hohlraum simulations with a reasonable number of cells. But the non-linear effects which are believed to be the cause of hot electron generation can only be captured by fully kinetic simulations with good resolution of the laser wavelength. For this reason, we employ a two-tiered approach to hohlraum modeling. Large-scale simulations of the collisional absorption process can be conducted using the fast quasi-neutral MHD algorithm with fluid particle species. From these simulations, we can observe the time evolution of the hohlraum walls and characterize the density and temperature profiles. From these results, we can transition to smaller-scale highly resolved simulations using traditional kinetic particle-in-cell methods, from which we can fully model all of the non-linear laser-plasma interactions, as well as assess the details of the electron distribution function. We find that vacuum hohlraums should be stable to both two plasmon decay and stimulated Raman scattering instabilities for intensities ≤ 10 15 W/cm2. In gas-filled hohlraums, shocks may be induced in the blowoff gold plasma, which leads to more complex density and temperatures profiles. The resulting effect on LPI stability depends strongly on the details of the profile, and it is possible for the gas-filled hohlraum to become unstable to two plasmon decay at 1015 W/cm2 if the quarter-critical surface reaches temperatures exceeding 1 keV.

Canopy reflectance, photosynthesis, and transpiration. II - The role of biophysics in the linearity of their interdependence

NASA Technical Reports Server (NTRS)

Sellers, P. J.

1987-01-01

The ability of satellite sensor systems to estimate area-averaged canopy photosynthetic and transpirative properties is evaluated. The near linear relationship between the simple ratio (SR) and normalized difference (ND) and the surface biophysical properties of canopy photosynthetically active radiation (PAR) absorption, photosynthesis, and bulk stomatal resistance is studied. The models utilized to illustrate the processes of canopy reflectance, photosynthesis, and resistance are described. The dependence of SR, the absorbed fraction of PAR, and canopy photosynthesis and resistance on total leaf area index is analyzed. It is noted that the SR and ND vegetation indices and vegetation-dependent qualities are near-linearly related due to the proportion of leaf scattering coefficient in visible and near IR wavelength regions. The data reveal that satellite sensor systems are useful for the estimation of photosynthesis and transpirative properties.

Improving the twilight model for polar cap absorption nowcasts

NASA Astrophysics Data System (ADS)

Rogers, N. C.; Kero, A.; Honary, F.; Verronen, P. T.; Warrington, E. M.; Danskin, D. W.

2016-11-01

During solar proton events (SPE), energetic protons ionize the polar mesosphere causing HF radio wave attenuation, more strongly on the dayside where the effective recombination coefficient, αeff, is low. Polar cap absorption models predict the 30 MHz cosmic noise absorption, A, measured by riometers, based on real-time measurements of the integrated proton flux-energy spectrum, J. However, empirical models in common use cannot account for regional and day-to-day variations in the daytime and nighttime profiles of αeff(z) or the related sensitivity parameter, m=A>/&sqrt;J. Large prediction errors occur during twilight when m changes rapidly, and due to errors locating the rigidity cutoff latitude. Modeling the twilight change in m as a linear or Gauss error-function transition over a range of solar-zenith angles (χl < χ < χu) provides a better fit to measurements than selecting day or night αeff profiles based on the Earth-shadow height. Optimal model parameters were determined for several polar cap riometers for large SPEs in 1998-2005. The optimal χl parameter was found to be most variable, with smaller values (as low as 60°) postsunrise compared with presunset and with positive correlation between riometers over a wide area. Day and night values of m exhibited higher correlation for closely spaced riometers. A nowcast simulation is presented in which rigidity boundary latitude and twilight model parameters are optimized by assimilating age-weighted measurements from 25 riometers. The technique reduces model bias, and root-mean-square errors are reduced by up to 30% compared with a model employing no riometer data assimilation.

Biosorption of Cadmium and Manganese Using Free Cells of Klebsiella sp. Isolated from Waste Water

PubMed Central

Hou, Yunnan; Cheng, Keke; Li, Zehua; Ma, Xiaohui; Wei, Yahong; Zhang, Lei; Wang, Yao

2015-01-01

In the present study, we evaluated a bacterium that was isolated from waste water for its ability to take up cadmium and manganese. The strain, identified both biochemically and by its 16S rRNA gene sequence as Klebsiella, was named Yangling I2 and was found to be highly resistant to heavy metals. Surface characterization of the bacterium via SEM revealed gross morphological changes, with cells appearing as biconcave discs after metal exposure rather than their typical rod shape. The effects of pH, temperature, heavy metal concentration, agitation and biomass concentration on the uptake of Cd(II) and Mn(II) was measured using atomic absorption spectrophotometry. The results showed that the biosorption was most affected by pH and incubation temperature, being maximized at pH 5.0 and 30°C, with absorption capacities of 170.4 and 114.1 mg/g for Cd(II) and Mn(II), respectively. Two models were investigated to compare the cells’ capacity for the biosorption of Cd and Mn, and the Langmuir model based on fuzzy linear regression was found to be close to the observed absorption curves and yield binding constants of 0.98 and 0.86 for Cd and Mn, respectively. This strain of Klebsiella has approximately ten times the absorption capacity reported for other strains and is promising for the removal of heavy metals from waste water. PMID:26505890

Structural characterization of astaxanthin aggregates as revealed by analysis and simulation of optical spectra

NASA Astrophysics Data System (ADS)

Lu, Liping; Hu, Taoping; Xu, Zhigang

2017-10-01

Carotenoids can self-assemble in hydrated polar solvents to form J- or H-type aggregates, inducing dramatic changes in photophysical properties. Here, we measured absorption and emission spectra of astaxanthin in ethanol-water solution using ultraviolet-visible and fluorescence spectrometers. Two types of aggregates were distinguished in mixed solution at different water contents by absorption spectra. After addition of water, all probed samples immediately formed H-aggregates with maximum blue shift of 31 nm. In addition, J-aggregate was formed in 1:3 ethanol-water solution measured after an hour. Based on Frenkel exciton model, we calculated linear absorption and emission spectra of these aggregates to describe aggregate structures in solution. For astaxanthin, experimental results agreed well with the fitted spectra of H-aggregate models, which consisted of tightly packed stacks of individual molecules, including hexamers, trimers, and dimers. Transition moment of single astaxanthin in ethanol was obtained by Gaussian 09 program package to estimate the distance between molecules in aggregates. Intermolecular distance of astaxanthin aggregates ranges from 0.45 nm to 0.9 nm. Fluorescence analysis showed that between subbands, strong exciton coupling induced rapid relaxation of H-aggregates. This coupling generated larger Stokes shift than monomers and J-aggregates.

Biomechanical efficiency of wrist guards as a shock isolator.

PubMed

Hwang, Il-Kyu; Kim, Kyu-Jung; Kaufman, Kenton R; Cooney, William P; An, Kai-Nan

2006-04-01

Despite the use of wrist guards during skate- and snowboard activities, fractures still occur at the wrist or at further proximal locations of the forearm. The main objectives of this study were to conduct a human subject testing under simulated falling conditions for measurement of the impact force on the hand, to model wrist guards as a shock isolator, to construct a linear mass-spring-damper model for quantification of the impact force attenuation (Q-ratio) and energy absorption (S-ratio), and to determine whether wrist guards play a role of an efficient shock isolator. While the falling direction (forward and backward) significantly influenced the impact responses, use of wrist guards provided minimal improvements in the Q- and S-ratios. It was suggested based on the results under the submaximal loading conditions that protective functions of the common wrist guard design could be enhanced with substantial increase in the damping ratio so as to maximize the energy absorption. This would bring forth minor deterioration in the impact force attenuation but significant increase in the energy absorption by 19%, which would help better protection against fall-related injuries of the upper extremity.

Extendable nickel complex tapes that reach NIR absorptions.

PubMed

Audi, Hassib; Chen, Zhongrui; Charaf-Eddin, Azzam; D'Aléo, Anthony; Canard, Gabriel; Jacquemin, Denis; Siri, Olivier

2014-12-14

Stepwise synthesis of linear nickel complex oligomer tapes with no need for solid-phase support has been achieved. The control of the length in flat arrays allows a fine-tuning of the absorption properties from the UV to the NIR region.

Theory of optical transitions in conjugated polymers. II. Real systems

NASA Astrophysics Data System (ADS)

Marcus, Max; Tozer, Oliver Robert; Barford, William

2014-10-01

The theory of optical transitions developed in Barford and Marcus ["Theory of optical transitions in conjugated polymers. I. Ideal systems," J. Chem. Phys. 141, 164101 (2014)] for linear, ordered polymer chains is extended in this paper to model conformationally disordered systems. Our key result is that in the Born-Oppenheimer regime the emission intensities are proportional to S(1)/⟨IPR⟩, where S(1) is the Huang-Rhys parameter for a monomer. ⟨IPR⟩ is the average inverse participation ratio for the emitting species, i.e., local exciton ground states (LEGSs). Since the spatial coherence of LEGSs determines the spatial extent of chromophores, the significance of this result is that it directly relates experimental observables to chromophore sizes (where ⟨IPR⟩ is half the mean chromophore size in monomer units). This result is independent of the chromophore shape, because of the Born-Oppenheimer factorization of the many body wavefunction. We verify this prediction by density matrix renormalization group (DMRG) calculations of the Frenkel-Holstein model in the adiabatic limit for both linear, disordered chains and for coiled, ordered chains. We also model optical spectra for poly(p-phenylene) and poly(p-phenylene-vinylene) oligomers and polymers. For oligomers, we solve the fully quantized Frenkel-Holstein model via the DMRG method. For polymers, we use the much simpler method of solving the one-particle Frenkel model and employ the Born-Oppenheimer expressions relating the effective Franck-Condon factor of a chromophore to its inverse participation ratio. We show that increased disorder decreases chromophore sizes and increases the inhomogeneous broadening, but has a non-monotonic effect on transition energies. We also show that as planarizing the polymer chain increases the exciton band width, it causes the chromophore sizes to increase, the transition energies to decrease, and the broadening to decrease. Finally, we show that the absorption spectra are more broadened than the emission spectra and that the broadening of the absorption spectra increases as the chains become more coiled. This is primarily because absorption occurs to both LEGSs and quasi-extended exciton states (QEESs), and QEES acquire increased intensity as chromophores bend, while emission only occurs from LEGSs.

Absorption Of Crushing Energy In Square Composite Tubes

NASA Technical Reports Server (NTRS)

Farley, Gary L.

1992-01-01

Report describes investigation of crash-energy-absorbing capabilities of square-cross-section tubes of two matrix/fiber composite materials. Both graphite/epoxy and Kevlar/epoxy tubes crushed in progressive and stable manner. Ratio between width of cross section and thickness of wall determined to affect energy-absorption significantly. As ratio decreases, energy-absorption capability increases non-linearly. Useful in building energy-absorbing composite structures.

Prediction of meat spectral patterns based on optical properties and concentrations of the major constituents.

PubMed

ElMasry, Gamal; Nakauchi, Shigeki

2016-03-01

A simulation method for approximating spectral signatures of minced meat samples was developed depending on concentrations and optical properties of the major chemical constituents. Minced beef samples of different compositions scanned on a near-infrared spectroscopy and on a hyperspectral imaging system were examined. Chemical composition determined heuristically and optical properties collected from authenticated references were simulated to approximate samples' spectral signatures. In short-wave infrared range, the resulting spectrum equals the sum of the absorption of three individual absorbers, that is, water, protein, and fat. By assuming homogeneous distributions of the main chromophores in the mince samples, the obtained absorption spectra are found to be a linear combination of the absorption spectra of the major chromophores present in the sample. Results revealed that developed models were good enough to derive spectral signatures of minced meat samples with a reasonable level of robustness of a high agreement index value more than 0.90 and ratio of performance to deviation more than 1.4.

Amplification of terahertz pulses in gases beyond thermodynamic equilibrium

NASA Astrophysics Data System (ADS)

Schwaab, G. W.; Schroeck, K.; Havenith, M.

2007-03-01

In Ebbinghaus [Plasma Sources Sci. Technol. 15, 72 (2006)] we reported terahertz time-domain spectroscopy in a plasma at low pressure, we observed a simultaneous absorption and amplification process within each single rotational transition. Here we show that this observation is a direct consequence of the short interaction time of the pulsed terahertz radiation with the plasma, which is shorter than the average collision time between the molecules. Thus, during the measurement time the molecular states may be considered entangled. Solution of the time-dependent Schrödinger equation yields a linear term that may be neglected for long observation times, large frequencies, or nonentangled states. We determine the restrictions for the observation of this effect and calculate the spectrum of a simple diatomic molecule. Using this model we are able to explain the spectral features showing a change from emission to absorption as observed previously. In addition we find that the amplification and absorption do not follow the typical Lambert-Beer exponential law but an approximate square law.

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

PubMed

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

2014-10-15

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

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

NASA Astrophysics Data System (ADS)

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

2014-10-01

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

Monte Carlo analysis on probe performance for endoscopic diffuse optical spectroscopy of tubular organ

NASA Astrophysics Data System (ADS)

Zhang, Yunyao; Zhu, Jingping; Cui, Weiwen; Nie, Wei; Li, Jie; Xu, Zhenghong

2015-03-01

We investigated the performance of endoscopic diffuse optical spectroscopy probes with circular or linear fiber arrangements for tubular organ cancer detection. Probe performance was measured by penetration depth. A Monte Carlo model was employed to simulate light transport in the hollow cylinder that both emits and receives light from the inner boundary of the sample. The influence of fiber configurations and tissue optical properties on penetration depth was simulated. The results show that under the same condition, probes with circular fiber arrangement penetrate deeper than probes with linear fiber arrangement, and the difference between the two probes' penetration depth decreases with an increase in the 'distance between source and detector (SD)' and the radius of the probe. Other results show that the penetration depths and their differences both decrease with an increase in the absorption coefficient and the reduced scattering coefficient but remain constant with changes in the anisotropy factor. Moreover, the penetration depth was more affected by the absorption coefficient than the reduced scattering coefficient. It turns out that in NIR band, probes with linear fiber arrangements are more appropriate for diagnosing superficial cancers, whereas probes with circular fiber arrangements should be chosen for diagnosing adenocarcinoma. But in UV-VIS band, the two probe configurations exhibit nearly the same. These results are useful in guiding endoscopic diffuse optical spectroscopy-based diagnosis for esophageal, cervical, colorectal and other cancers.

Photophysics of C60 Colloids

DTIC Science & Technology

2012-11-28

strong linear absorption giving rise to thermionic emission, resulting in avalanche ionization and thus, nanoplasmas that absorb and scatter the...point of water is reached before the sublimation point of carbon black. If nanoplasmas are the source of the nonlinear absorption seen in CBS-1, then

Coherent Perfect Rotation

NASA Astrophysics Data System (ADS)

Crescimanno, Michael; Dawson, Nathan; Andrews, James

2012-04-01

Two classes of conservative, linear, optical rotary effects (optical activity and Faraday rotation) are distinguished by their behavior under time reversal. In analogy with coherent perfect absorption, where counterpropagating light fields are controllably converted into other degrees of freedom, we show that in a linear-conservative medium only time-odd (Faraday) rotation is capable of coherent perfect rotation, by which we mean the complete transfer of counterpropagating coherent light fields into their orthogonal polarization. This highlights the necessity of time reversal odd processes (not just absorption) and coherence in perfect mode conversion and may inform device design.

Absorption features of chromophoric dissolved organic matter (CDOM) and tracing implication for dissolved organic carbon (DOC) in Changjiang Estuary, China

NASA Astrophysics Data System (ADS)

Zhang, X. Y.; Chen, X.; Deng, H.; Du, Y.; Jin, H. Y.

2013-07-01

Chromophoric dissolved organic matter (CDOM) represents the light absorbing fraction of dissolved organic carbon (DOC). Studies have shown that the optical properties of CDOM can be used to infer the distribution and diffusion characteristics of DOC in the estuary and coastal zone. The inversion of DOC concentrations from remote sensing has been implemented in certain regions. In this study we investigate the potential of tracing DOC from CDOM by the measurement of DOC, absorption spectrum of CDOM, Chla concentration, suspended sediment (SS), and salinity from cruises in different seasons around the Changjiang estuary. Our results show that around the Changjiang estuary the absorption coefficients of CDOM in general have the similar spatial and temporal characteristics as that of DOC, but the strength of the correlation between CDOM and DOC varies locally and seasonally. The input of pollutants from outside the estuary, the bloom of phytoplankton in spring, re-suspension of deposited sediment, and light bleaching all contribute to the local and seasonal variation of the correlation between DOC and CDOM. An inversion model for the determination of DOC from CDOM is established, but the stability of model parameters and its application in different environments need further study. We find that relative to the absorption coefficient of CDOM, the fitted parameters of the absorption spectrum of DOM are better indictors for the composition of DOC. In addition, it is found that the terrestrial input of DOC to Changjiang estuary is a typical two-stage dilution process instead of a linear diffusion process.

Sulfates as chromophores for multiwavelength photoacoustic imaging phantoms

NASA Astrophysics Data System (ADS)

Fonseca, Martina; An, Lu; Beard, Paul; Cox, Ben

2017-12-01

As multiwavelength photoacoustic imaging becomes increasingly widely used to obtain quantitative estimates, the need for validation studies conducted on well-characterized experimental phantoms becomes ever more pressing. One challenge that such studies face is the design of stable, well-characterized phantoms and absorbers with properties in a physiologically realistic range. This paper performs a full experimental characterization of aqueous solutions of copper and nickel sulfate, whose properties make them close to ideal as chromophores in multiwavelength photoacoustic imaging phantoms. Their absorption varies linearly with concentration, and they mix linearly. The concentrations needed to yield absorption values within the physiological range are below the saturation limit. The shape of their absorption spectra makes them useful analogs for oxy- and deoxyhemoglobin. They display long-term photostability (no indication of bleaching) as well as resistance to transient effects (no saturable absorption phenomena), and are therefore suitable for exposure to typical pulsed photoacoustic light sources, even when exposed to the high number of pulses required in scanning photoacoustic imaging systems. In addition, solutions with tissue-realistic, predictable, and stable scattering can be prepared by mixing sulfates and Intralipid, as long as an appropriate emulsifier is used. Finally, the Grüneisen parameter of the sulfates was found to be larger than that of water and increased linearly with concentration.

Extended release dosage form of glipizide: development and validation of a level A in vitro-in vivo correlation.

PubMed

Ghosh, Animesh; Bhaumik, Uttam Kumar; Bose, Anirbandeep; Mandal, Uttam; Gowda, Veeran; Chatterjee, Bappaditya; Chakrabarty, Uday Sankar; Pal, Tapan Kumar

2008-10-01

Defining a quantitative and reliable relationship between in vitro drug release and in vivo absorption is highly desired for rational development, optimization, and evaluation of controlled-release dosage forms and manufacturing process. During the development of once daily extended-release (ER) tablet of glipizide, a predictive in vitro drug release method was designed and statistically evaluated using three formulations with varying release rates. In order to establish internally and externally validated level A in vitro-in vivo correlation (IVIVC), a total of three different ER formulations of glipizide were used to evaluate a linear IVIVC model based on the in vitro test method. For internal validation, a single-dose four-way cross over study (n=6) was performed using fast-, moderate-, and slow-releasing ER formulations and an immediate-release (IR) of glipizide as reference. In vitro release rate data were obtained for each formulation using the United States Pharmacopeia (USP) apparatus II, paddle stirrer at 50 and 100 rev. min(-1) in 0.1 M hydrochloric acid (HCl) and pH 6.8 phosphate buffer. The f(2) metric (similarity factor) was used to analyze the dissolution data. The formulations were compared using area under the plasma concentration-time curve, AUC(0-infinity), time to reach peak plasma concentration, T(max), and peak plasma concentration, C(max), while correlation was determined between in vitro release and in vivo absorption. A linear correlation model was developed using percent absorbed data versus percent dissolved from the three formulations. Predicted glipizide concentrations were obtained by convolution of the in vivo absorption rates. Prediction errors were estimated for C(max) and AUC(0-infinity) to determine the validity of the correlation. Apparatus II, pH 6.8 at 100 rev. min(-1) was found to be the most discriminating dissolution method. Linear regression analysis of the mean percentage of dose absorbed versus the mean percentage of in vitro release resulted in a significant correlation (r(2)>or=0.9) for the three formulations.

Exciton Absorption Spectra by Linear Response Methods:Application to Conjugated Polymers

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

Mosquera, Martin A.; Jackson, Nicholas E.; Fauvell, Thomas J.

The theoretical description of the timeevolution of excitons requires, as an initial step, the calculation of their spectra, which has been inaccessible to most users due to the high computational scaling of conventional algorithms and accuracy issues caused by common density functionals. Previously (J. Chem. Phys. 2016, 144, 204105), we developed a simple method that resolves these issues. Our scheme is based on a two-step calculation in which a linear-response TDDFT calculation is used to generate orbitals perturbed by the excitonic state, and then a second linear-response TDDFT calculation is used to determine the spectrum of excitations relative to themore » excitonic state. Herein, we apply this theory to study near-infrared absorption spectra of excitons in oligomers of the ubiquitous conjugated polymers poly(3-hexylthiophene) (P3HT), poly(2-methoxy-5-(2-ethylhexyloxy)-1,4-phenylenevinylene) (MEH-PPV), and poly(benzodithiophene-thieno[3,4-b]thiophene) (PTB7). For P3HT and MEH-PPV oligomers, the calculated intense absorption bands converge at the longest wavelengths for 10 monomer units, and show strong consistency with experimental measurements. The calculations confirm that the exciton spectral features in MEH-PPV overlap with those of the bipolaron formation. In addition, our calculations identify the exciton absorption bands in transient absorption spectra measured by our group for oligomers (1, 2, and 3 units) of PTB7. For all of the cases studied, we report the dominant orbital excitations contributing to the optically active excited state-excited state transitions, and suggest a simple rule to identify absorption peaks at the longest wavelengths. We suggest our methodology could be considered for further evelopments in theoretical transient spectroscopy to include nonadiabatic effects, coherences, and to describe the formation of species such as charge-transfer states and polaron pairs.« less

Optical absorption in 3D topological insulator Bi2Te3 with applications to THz detectors (Presentation Recording)

NASA Astrophysics Data System (ADS)

Sengupta, Parijat; Bellotti, Enrico

2015-08-01

Topological insulators (TI) are a new class of materials that have an energy gap in bulk but possess gapless states bound to the sample surface or edge that have been theoretically predicted and experimentally observed [1]. The topological state in Bi2Te3 is characterized by a linear dispersion and a Dirac cone at the Γpoint. The optical absorption on the surface of a TI is given by the standard graphene-like απ/2 when a linear dispersion is assumed. Realistically, at k-points away from Γ, higher order cubic terms in k that represent the underlying hexagonal symmetry [2] of the crystal dominate and give rise to warping of bands. The optical absorption of a ferromagnetic coated gapped 3D TI film with warping terms considered is longer απ/2 but significantly modified. We demonstrate, by using wave functions from a continuum-Hamiltonian and Fermi-golden rule, the absorption spectrum on the surface of a TI as a function of the chemical potential, film-thickness and incident photon energy. A linear response theory based calculation is also performed using the Kubo formula to determine the longitudinal optical conductivity whose real part gives absorption as a function of photon frequency. The absorption in materials with Dirac fermions which is significantly higher than in normal THz detectors [3] can be further modulated in a TI by explicitly including the warping term making them highly efficient and tunable photodetectors. [1] M.Hasan and C.Kane, Rev.Mod.Phys. 82, 3045(2010) [2] L.Fu, Phys.Rev.Lett.103, 266801(2009) [3] X.Zhang et al., Phys. Rev B, 82, 245107(2010)

Quantum description of light propagation in generalized media

NASA Astrophysics Data System (ADS)

Häyrynen, Teppo; Oksanen, Jani

2016-02-01

Linear quantum input-output relation based models are widely applied to describe the light propagation in a lossy medium. The details of the interaction and the associated added noise depend on whether the device is configured to operate as an amplifier or an attenuator. Using the traveling wave (TW) approach, we generalize the linear material model to simultaneously account for both the emission and absorption processes and to have point-wise defined noise field statistics and intensity dependent interaction strengths. Thus, our approach describes the quantum input-output relations of linear media with net attenuation, amplification or transparency without pre-selection of the operation point. The TW approach is then applied to investigate materials at thermal equilibrium, inverted materials, the transparency limit where losses are compensated, and the saturating amplifiers. We also apply the approach to investigate media in nonuniform states which can be e.g. consequences of a temperature gradient over the medium or a position dependent inversion of the amplifier. Furthermore, by using the generalized model we investigate devices with intensity dependent interactions and show how an initial thermal field transforms to a field having coherent statistics due to gain saturation.

Contribution of the 2(1)Ag state to the third-order optical nonlinearity in a squaraine dye.

PubMed

Andrews, J H; Khaydarov, J D; Singer, K D

1994-07-01

We have measured the third-harmonic response, gamma, of a centrosymmetric squaraine dye (ISQ) in chloroform at a range of frequencies for which the third harmonic is above the strong, narrow peak in the dye's linear absorption spectrum but below the UV absorption band. By fitting the experimental dispersion of gamma using a four-level model, we determine the strength, location, and width of the lowest-lying two-photon transition. We find that the 2(1)Ag state appears just above the 1(1)Bu state in energy and that the 1(1)Bu-2(1)Ag transition moment is somewhat smaller than the transition moment between the ground state and the 1(1)Bu state but much larger than previously predicted for comparable squaraine dyes.

Modeling of the Dynamics of Radio Wave Reflection and Absorption in a Smoothly Ionomogeneous Plasma with Electromagnetically Driven Strong Langmuir Turbulence

NASA Astrophysics Data System (ADS)

Kochetov, A. V.

2018-05-01

This work was initiated by experiments on studying the self-action of radio waves incident on the ionosphere from a ground-based transmitter at the stage of electromagnetic excitation of Langmuir turbulence (Langmuir effect). The emphasis is on the impact of "self-consistent" collisionless absorption of radio waves by the Langmuir turbulence, which develops when the incident-wave field swells in the resonant region of a smoothly inhomogeneous plasma, on the dynamics of the radio wave reflection. Electrodynamic characteristics of the nonlinear-plasma layer, which has a linear unperturbed profile of the plasma density, with different features of the absorption development are obtained for a high intensity of the incident radiation. Calculations of "soft" and "hard" regimes of the absorption occurrence, as well as hysteresis modes in which the damping switch-on and off thresholds differ several times, are carried out. The algorithms we devised and the results of the study can serve as the basis for a more adequate and more detailed numerical simulation for interpretation of the experimental data obtained at the stage of the Langmuir effect in the ionosphere.

One-way quasiplanar terahertz absorbers using nonstructured polar dielectric layers

NASA Astrophysics Data System (ADS)

Rodríguez-Ulibarri, P.; Beruete, M.; Serebryannikov, A. E.

2017-10-01

A concept of quasiplanar one-way transparent terahertz absorbers made of linear isotropic materials is presented. The resulting structure consists of a homogeneous absorbing layer of polar dielectric, GaAs, a dispersion-free substrate, and an ultrathin frequency-selective reflector. It is demonstrated that perfect absorption can be obtained for forward illumination, along with total reflection at backward illumination and transparency windows in the adjacent bands. The design is particularized for the polaritonic gap range where permittivity of GaAs varies in a wide range and includes epsilon-near-zero and transparency regimes. The underlying physics can be explained with the aid of a unified equivalent-circuit (EC) analytical model. Perfect matching of input impedance in forward operation and, simultaneously, strong mismatch in the backward case are the universal criteria of one-way absorption. It is shown that perfect one-way absorption can be achieved at rather arbitrary permittivity values, provided these criteria are fulfilled. The EC results are in good agreement with full-wave simulations in a wide range of material and geometrical parameters. The resulting one-way absorbers are very compact and geometrically simple, and enable transparency in the neighboring frequency ranges and, hence, multifunctionality that utilizes both absorption- and transmission-related regimes.

Kinetic limitations on tracer partitioning in ganglia dominated source zones.

PubMed

Ervin, Rhiannon E; Boroumand, Ali; Abriola, Linda M; Ramsburg, C Andrew

2011-11-01

Quantification of the relationship between dense nonaqueous phase liquid (DNAPL) source strength, source longevity and spatial distribution is increasingly recognized as important for effective remedial design. Partitioning tracers are one tool that may permit interrogation of DNAPL architecture. Tracer data are commonly analyzed under the assumption of linear, equilibrium partitioning, although the appropriateness of these assumptions has not been fully explored. Here we focus on elucidating the nonlinear and nonequilibrium partitioning behavior of three selected alcohol tracers - 1-pentanol, 1-hexanol and 2-octanol in a series of batch and column experiments. Liquid-liquid equilibria for systems comprising water, TCE and the selected alcohol illustrate the nonlinear distribution of alcohol between the aqueous and organic phases. Complete quantification of these equilibria facilitates delineation of the limits of applicability of the linear partitioning assumption, and assessment of potential inaccuracies associated with measurement of partition coefficients at a single concentration. Column experiments were conducted under conditions of non-equilibrium to evaluate the kinetics of the reversible absorption of the selected tracers in a sandy medium containing a uniform entrapped saturation of TCE-DNAPL. Experimental tracer breakthrough data were used, in conjunction with mathematical models and batch measurements, to evaluate alternative hypotheses for observed deviations from linear equilibrium partitioning behavior. Analyses suggest that, although all tracers accumulate at the TCE-DNAPL/aqueous interface, surface accumulation does not influence transport at concentrations typically employed for tracer tests. Moreover, results reveal that the kinetics of the reversible absorption process are well described using existing mass transfer correlations originally developed to model aqueous boundary layer resistance for pure-component NAPL dissolution. Copyright © 2011 Elsevier B.V. All rights reserved.

Quantitative photoacoustic imaging in the acoustic regime using SPIM

NASA Astrophysics Data System (ADS)

Beigl, Alexander; Elbau, Peter; Sadiq, Kamran; Scherzer, Otmar

2018-05-01

While in standard photoacoustic imaging the propagation of sound waves is modeled by the standard wave equation, our approach is based on a generalized wave equation with variable sound speed and material density, respectively. In this paper we present an approach for photoacoustic imaging, which in addition to the recovery of the absorption density parameter, the imaging parameter of standard photoacoustics, also allows us to reconstruct the spatially varying sound speed and density, respectively, of the medium. We provide analytical reconstruction formulas for all three parameters based in a linearized model based on single plane illumination microscopy (SPIM) techniques.

Generation of High Frequency Response in a Dynamically Loaded, Nonlinear Soil Column

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

Spears, Robert Edward; Coleman, Justin Leigh

2015-08-01

Detailed guidance on linear seismic analysis of soil columns is provided in “Seismic Analysis of Safety-Related Nuclear Structures and Commentary (ASCE 4, 1998),” which is currently under revision. A new Appendix in ASCE 4-2014 (draft) is being added to provide guidance for nonlinear time domain analysis which includes evaluation of soil columns. When performing linear analysis, a given soil column is typically evaluated with a linear, viscous damped constitutive model. When submitted to a sine wave motion, this constitutive model produces a smooth hysteresis loop. For nonlinear analysis, the soil column can be modelled with an appropriate nonlinear hysteretic soilmore » model. For the model in this paper, the stiffness and energy absorption result from a defined post yielding shear stress versus shear strain curve. This curve is input with tabular data points. When submitted to a sine wave motion, this constitutive model produces a hysteresis loop that looks similar in shape to the input tabular data points on the sides with discontinuous, pointed ends. This paper compares linear and nonlinear soil column results. The results show that the nonlinear analysis produces additional high frequency response. The paper provides additional study to establish what portion of the high frequency response is due to numerical noise associated with the tabular input curve and what portion is accurately caused by the pointed ends of the hysteresis loop. Finally, the paper shows how the results are changed when a significant structural mass is added to the top of the soil column.« less

Modelling emission turbulence-radiation interaction by using a hybrid flamelet/stochastic Eulerian field method

NASA Astrophysics Data System (ADS)

Consalvi, Jean-Louis

2017-01-01

The time-averaged Radiative Transfer Equation (RTE) introduces two unclosed terms, known as `absorption Turbulence Radiation Interaction (TRI)' and `emission TRI'. Emission TRI is related to the non-linear coupling between fluctuations of the absorption coefficient and fluctuations of the Planck function and can be described without introduction any approximation by using a transported PDF method. In this study, a hybrid flamelet/ Stochastic Eulerian Field Model is used to solve the transport equation of the one-point one-time PDF. In this formulation, the steady laminar flamelet model (SLF) is coupled to a joint Probability Density Function (PDF) of mixture fraction, enthalpy defect, scalar dissipation rate, and soot quantities and the PDF transport equation is solved by using a Stochastic Eulerian Field (SEF) method. Soot production is modeled by a semi-empirical model and the spectral dependence of the radiatively participating species, namely combustion products and soot, are computed by using a Narrow Band Correlated-k (NBCK) model. The model is applied to simulate an ethylene/methane turbulent jet flame burning in an oxygen-enriched environment. Model results are compared with the experiments and the effects of taken into account Emission TRI on flame structure, soot production and radiative loss are discussed.

Open-path FTIR data reduction algorithm with atmospheric absorption corrections: the NONLIN code

NASA Astrophysics Data System (ADS)

Phillips, William; Russwurm, George M.

1999-02-01

This paper describes the progress made to date in developing, testing, and refining a data reduction computer code, NONLIN, that alleviates many of the difficulties experienced in the analysis of open path FTIR data. Among the problems that currently effect FTIR open path data quality are: the inability to obtain a true I degree or background, spectral interferences of atmospheric gases such as water vapor and carbon dioxide, and matching the spectral resolution and shift of the reference spectra to a particular field instrument. This algorithm is based on a non-linear fitting scheme and is therefore not constrained by many of the assumptions required for the application of linear methods such as classical least squares (CLS). As a result, a more realistic mathematical model of the spectral absorption measurement process can be employed in the curve fitting process. Applications of the algorithm have proven successful in circumventing open path data reduction problems. However, recent studies, by one of the authors, of the temperature and pressure effects on atmospheric absorption indicate there exist temperature and water partial pressure effects that should be incorporated into the NONLIN algorithm for accurate quantification of gas concentrations. This paper investigates the sources of these phenomena. As a result of this study a partial pressure correction has been employed in NONLIN computer code. Two typical field spectra are examined to determine what effect the partial pressure correction has on gas quantification.

Fast radiative transfer models for retrieval of cloud properties in the back-scattering region: application to DSCOVR-EPIC sensor

NASA Astrophysics Data System (ADS)

Molina Garcia, Victor; Sasi, Sruthy; Efremenko, Dmitry; Doicu, Adrian; Loyola, Diego

2017-04-01

In this work, the requirements for the retrieval of cloud properties in the back-scattering region are described, and their application to the measurements taken by the Earth Polychromatic Imaging Camera (EPIC) on board the Deep Space Climate Observatory (DSCOVR) is shown. Various radiative transfer models and their linearizations are implemented, and their advantages and issues are analyzed. As radiative transfer calculations in the back-scattering region are computationally time-consuming, several acceleration techniques are also studied. The radiative transfer models analyzed include the exact Discrete Ordinate method with Matrix Exponential (DOME), the Matrix Operator method with Matrix Exponential (MOME), and the approximate asymptotic and equivalent Lambertian cloud models. To reduce the computational cost of the line-by-line (LBL) calculations, the k-distribution method, the Principal Component Analysis (PCA) and a combination of the k-distribution method plus PCA are used. The linearized radiative transfer models for retrieval of cloud properties include the Linearized Discrete Ordinate method with Matrix Exponential (LDOME), the Linearized Matrix Operator method with Matrix Exponential (LMOME) and the Forward-Adjoint Discrete Ordinate method with Matrix Exponential (FADOME). These models were applied to the EPIC oxygen-A band absorption channel at 764 nm. It is shown that the approximate asymptotic and equivalent Lambertian cloud models give inaccurate results, so an offline processor for the retrieval of cloud properties in the back-scattering region requires the use of exact models such as DOME and MOME, which behave similarly. The combination of the k-distribution method plus PCA presents similar accuracy to the LBL calculations, but it is up to 360 times faster, and the relative errors for the computed radiances are less than 1.5% compared to the results when the exact phase function is used. Finally, the linearized models studied show similar behavior, with relative errors less than 1% for the radiance derivatives, but FADOME is 2 times faster than LDOME and 2.5 times faster than LMOME.

A dissipative quantum mechanical beam-splitter.

PubMed

Ramakrishna, S A; Bandyopadhyay, A; Rai, J

1998-01-19

A dissipative beam-splitter (BS) has been analyzed by modeling the losses in the BS due to the excitation of optical phonons. The losses are obtained in terms of the BS medium properties. The model simplies the picture by treating the loss mechanism as a perturbation on the photon modes in a linear, non-lossy medium in the limit of small losses, instead of using the full field quantization in lossy, dispersive media. The model uses second order perturbation in the Markoff approximation and yields the Beer's law for absorption in the first approximation, thus providing a microscopic description of the absorption coecient. It is shown that the fluctuations in the modes get increased because of the losses. We show the existence of quantum interferences due to phase correlations between the input beams and it is shown that these correlations can result in loss quenching. Hence in spite of having such a dissipative medium, it is possible to design a lossless 50-50 BS at normal incidence which may have potential applications in laser optics and dielectric-coated mirrors.

Finite Element Simulation for Analysing the Design and Testing of an Energy Absorption System

PubMed Central

Segade, Abraham; López-Campos, José A.; Fernández, José R.; Casarejos, Enrique; Vilán, José A.

2016-01-01

It is not uncommon to use profiles to act as energy absorption parts in vehicle safety systems. This work analyses an impact attenuator based on a simple design and discusses the use of a thermoplastic material. We present the design of the impact attenuator and a mechanical test for the prototype. We develop a simulation model using the finite element method and explicit dynamics, and we evaluate the most appropriate mesh size and integration for describing the test results. Finally, we consider the performance of different materials, metallic ones (steel AISI 4310, Aluminium 5083-O) and a thermoplastic foam (IMPAXX500™). This reflects the car industry’s interest in using new materials to make high-performance, low-mass energy absorbers. We show the strength of the models when it comes to providing reliable results for large deformations and strong non-linearities, and how they are highly correlated with respect to the test results both in value and behaviour. PMID:28773778

Effect of self-absorption correction on surface hardness estimation of Fe-Cr-Ni alloys via LIBS.

PubMed

Ramezanian, Zahra; Darbani, Seyyed Mohammad Reza; Majd, Abdollah Eslami

2017-08-20

The effect of self-absorption was investigated on the estimation of surface hardness of Fe-Cr-Ni metallic alloys by the laser-induced breakdown spectroscopy (LIBS) technique. For this purpose, the linear relationship between the ratio of chromium ionic to atomic line intensities (CrII/CrI) and surface hardness was studied, both before and after correcting the self-absorption effect. The correlation coefficient significantly increased from 47% to 90% after self-absorption correction. The results showed the measurements of surface hardness using LIBS can be more accurate and valid by correcting the self-absorption effect.

Atomistic absorption spectra and non-adiabatic dynamics of the LH2 complex with a GPU-accelerated ab initio exciton model

NASA Astrophysics Data System (ADS)

Glowacki, David

Recently, we outlined an efficient multi-tiered parallel excitonic framework that utilizes time dependent density functional theory (TDDFT) to calculate ground/excited state energies and gradients of large supramolecular complexes in atomistic detail. In this paper, we apply our ab initioexciton framework to the 27 coupled bacteriocholorophyll-a chromophores which make up the LH2 complex, using it to compute linear absorption spectra and short-time, on-the-fly nonadiabatic surface-hopping (SH) dynamics of electronically excited LH2. Our ab initio exciton model includes two key parameters whose values are determined by fitting to experiment: d, which is added to the diagonal elements, corrects for the error in TDDFT vertical excitation energies on a single chromophore; and e, which occurs on the off-diagonal matrix elements, describes the average dielectric screening of the inter-chromophore transition-dipole coupling. Using snapshots obtained from equilibrium molecular dynamics simulations (MD) of LH2, best-fit values of both d and e were obtained by fitting to the thermally broadened experimental absorption spectrum within the Frank-Condon approximation, providing a linear absorption spectrum that agrees reasonably well with the experimental observations. We follow the nonadiabatic dynamics using surface hopping to construct time-resolved visualizations of the EET dynamics in the sub-picosecond regime following photoexcitation. This provides some qualitative insight into the excitonic energy transfer (EET) that results from atomically resolved vibrational fluctuations of the chromophores. The dynamical picture that emerges is one of rapidly fluctuating eigenstates that are delocalized over multiple chromophores and undergo frequent crossing on a femtosecond timescale as a result of the underlying chromophore vibrational dynamics. The eigenstate fluctuations arise from disorder in both the diagonal chromophore site energies and the off-diagonal inter-chromophore couplings. The scalability of our excitonic computational framework across massively parallel architectures opens up the possibility of addressing a wide range of questions, including how specific dynamical motions impact both the pathways and efficiency of electronic energy-transfer within large supramolecular systems.

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

Li, H.; Chang, C.; Cheng, H. H., E-mail: hhcheng@ntu.edu.tw

We report an investigation on the absorption mechanism of a GeSn photodetector with 2.4% Sn composition in the active region. Responsivity is measured and absorption coefficient is calculated. Square root of absorption coefficient linearly depends on photon energy indicating an indirect transition. However, the absorption coefficient is found to be at least one order of magnitude higher than that of most other indirect materials, suggesting that the indirect optical absorption transition cannot be assisted only by phonon. Our analysis of absorption measurements by other groups on the same material system showed the values of absorption coefficient on the same ordermore » of magnitude. Our study reveals that the strong enhancement of absorption for the indirect optical transition is the result of alloy disorder from the incorporation of the much larger Sn atoms into the Ge lattice that are randomly distributed.« less

Spectral variability of plagioclase-mafic mixtures (3): Quantitative analysis applying the MGM algorithm

NASA Astrophysics Data System (ADS)

Serventi, Giovanna; Carli, Cristian; Sgavetti, Maria

2015-07-01

Among the techniques to detect planet's mineralogical composition remote sensing, visible and near-infrared (VNIR) reflectance spectroscopy is a powerful tool, because crystal field absorption bands are related to particular transitional metals in well-defined crystal structures, e.g., Fe2+ in M1 and M2 sites of olivine (OL) or pyroxene (PX). Although OL, PX and their mixtures have been widely studied, plagioclase (PL), considered a spectroscopically transparent mineral, has been poorly analyzed. In this work we quantitatively investigate the influence of plagioclase absorption band on the absorption bands of Fe, Mg minerals using the Modified Gaussian Model - MGM (Sunshine, J.M. et al. [1990]. J. Geophys. Res. 95, 6955-6966). We consider three plagioclase compositions of varying FeO wt.% contents and five mafic end-members (1) 56% orthopyroxene and 44% clinopyroxene, (2) 28% olivine and 72% orthopyroxene, (3) 30% orthopyroxene and 70% olivine, (4) 100% olivine and (5) 100% orthopyroxene, at two different particle sizes. The spectral parameters considered here are: band depth, band center, band width, c0 (the continuum intercept) and c1 (the continuum offset). In particular, we show the variation of the plagioclase and composite (plagioclase-olivine) band spectral parameters versus the volumetric iron content related to the plagioclase abundance in mixtures. Generally, increasing the vol. FeO% due to the PL: (1) 1250 nm band deepens with linear trend in mixtures with pyroxenes, while it decreases in mixtures with olivine, with trend shifting from parabolic to linear increasing the olivine content in end-member; (2) 1250 nm band center moves towards longer wavelengths with linear trend in pyroxene-rich mixtures and parabolic trend in olivine-rich mixtures; and (3) 1250 nm band clearly widens with linear trend in olivine-free mixtures, while the widening is only slight in olivine-rich mixtures. We also outline how spectral parameters can be ambiguous leading to an incorrect mineralogical interpretation. Furthermore, we show the presence of an asymmetry of the plagioclase band towards the IR region, resolvable adding a Gaussian in the 1600-1800 nm spectral region.

Iron oxide bands in the visible and near-infrared reflectance spectra of primitive asteroids

NASA Technical Reports Server (NTRS)

Jarvis, Kandy S.; Vilas, Faith; Gaffey, Michael J.

1993-01-01

High resolution reflectance spectra of primitive asteroids (C, P, and D class and associated subclasses) have commonly revealed an absorption feature centered at 0.7 microns attributed to an Fe(2+)-Fe(3+) charge transfer transition in iron oxides and/or oxidized iron in phyllosilicates. A smaller feature identified at 0.43 microns has been attributed to an Fe(3+) spin-forbidden transition in iron oxides. In the spectra of the two main-belt primitive asteroids 368 Haidea (D) and 877 Walkure (F), weak absorption features which were centered near the location of 0.60-0.65 microns and 0.80-0.90 microns prompted a search for features at these wavelengths and an attempt to identify their origin(s). The CCD reflectance spectra obtained between 1982-1992 were reviewed for similar absorption features located near these wavelengths. The spectra of asteroids in which these absorption features have been identified are shown. These spectra are plotted in order of increasing heliocentric distance. No division of the asteroids by class has been attempted here (although the absence of these features in the anhydrous S-class asteroids, many of which have presumably undergone full heating and differentiation should be noted). For this study, each spectrum was treated as a continuum with discrete absorption features superimposed on it. For each object, a linear least squares fit to the data points defined a simple linear continuum. The linear continuum was then divided into each spectrum, thus removing the sloped continuum and permitting the intercomparison of residual spectral features.

Linear absorptive dielectrics

NASA Astrophysics Data System (ADS)

Tip, A.

1998-06-01

Starting from Maxwell's equations for a linear, nonconducting, absorptive, and dispersive medium, characterized by the constitutive equations D(x,t)=ɛ1(x)E(x,t)+∫t-∞dsχ(x,t-s)E(x,s) and H(x,t)=B(x,t), a unitary time evolution and canonical formalism is obtained. Given the complex, coordinate, and frequency-dependent, electric permeability ɛ(x,ω), no further assumptions are made. The procedure leads to a proper definition of band gaps in the periodic case and a new continuity equation for energy flow. An S-matrix formalism for scattering from lossy objects is presented in full detail. A quantized version of the formalism is derived and applied to the generation of Čerenkov and transition radiation as well as atomic decay. The last case suggests a useful generalization of the density of states to the absorptive situation.

Alfven wave cyclotron resonance heating

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

White, R.B.; Yosikawa, S.; Oberman, C.

1981-02-01

The resonance absorption of fast Alfven waves at the proton ctclotron resonance of a predominately deuterium plasma is investigated. An approximate dispersion relation is derived, valid in the vicinity of the resonance, which permits an exact calculation of transmission and reflection coefficients. For reasonable plasma parameters significant linear resonance absorption is found.

L(alpha)-induced two-photon absorption of visible light emitted from an O-type star by H2(+) ions located near the surface of the Stromgren sphere surrounding the star: A possible explanation for the diffuse interstellar absorption bands (DIDs)

NASA Technical Reports Server (NTRS)

Glownia, James H.; Sorokin, Peter P.

1994-01-01

In this paper, a new model is proposed to account for the DIB's (Diffuse Interstellar Bands). In this model, the DIB's result from a non-linear effect: resonantly-enhanced two-photon absorption of H(2+) ions located near the surface of the Stromgren sphere that surrounds an O- or B- type star. The strong light that is required to 'drive' the two-photon transition is provided by L(alpha) light emerging from the Stromgren sphere that bounds the H II region surrounding the star. A value of approximately 100 micro W/sq cm is estimated for the L(alpha) flux at the Stromgren radius, R(s), of a strong (O5) star. It is shown that a c.w. L(alpha) flux of this intensity should be sufficient to induce a few percent absorption for visible light radiated by the same star at a frequency (omega2) that completes an allowed two-photon transition, provided (1) the L(alpha) radiation happens to be nearly resonant with the frequency of a fully-allowed absorber transition that effectively represents the first step in the two-photon transition, and (2) an effective column density approximately 10(sup18)/sq cm of the absorber is present near the Stromgren sphere radius, R(sub s).

Finite difference modelling of the temperature rise in non-linear medical ultrasound fields.

PubMed

Divall, S A; Humphrey, V F

2000-03-01

Non-linear propagation of ultrasound can lead to increased heat generation in medical diagnostic imaging due to the preferential absorption of harmonics of the original frequency. A numerical model has been developed and tested that is capable of predicting the temperature rise due to a high amplitude ultrasound field. The acoustic field is modelled using a numerical solution to the Khokhlov-Zabolotskaya-Kuznetsov (KZK) equation, known as the Bergen Code, which is implemented in cylindrical symmetric form. A finite difference representation of the thermal equations is used to calculate the resulting temperature rises. The model allows for the inclusion of a number of layers of tissue with different acoustic and thermal properties and accounts for the effects of non-linear propagation, direct heating by the transducer, thermal diffusion and perfusion in different tissues. The effect of temperature-dependent skin perfusion and variation in background temperature between the skin and deeper layers of the body are included. The model has been tested against analytic solutions for simple configurations and then used to estimate temperature rises in realistic obstetric situations. A pulsed 3 MHz transducer operating with an average acoustic power of 200 mW leads to a maximum steady state temperature rise inside the foetus of 1.25 degrees C compared with a 0.6 degree C rise for the same transmitted power under linear propagation conditions. The largest temperature rise occurs at the skin surface, with the temperature rise at the foetus limited to less than 2 degrees C for the range of conditions considered.

Population pharmacokinetics of bupivacaine in combined lumbar and sciatic nerve block

PubMed Central

Eljebari, Hanene; Jebabli, Nadia; Salouage, Issam; Gaies, Emna; Lakhal, Mohamed; Boussofara, Mehdi; Klouz, Anis

2014-01-01

Objectives: The primary aim of this study was to establish the population pharmacokinetic (PPK) model of bupivacaine after combined lumbar plexus and sciatic nerve blocks and secondary aim is to assess the effect of patient's characteristics including age, body weight and sex on pharmacokinetic parameters. Materials and Methods: A total of 31 patients scheduled for elective lower extremity surgery with combined lumbar and sciatic nerve block using plain bupivacaine 0.5% were included. The total bupivacaine plasma concentrations were measured before injection and after two blocks placement and at selected time points. Monitoring of bupivacaine was made by high performance liquid chromatography (HPLC) with ultraviolet detection. Non-linear mixed effects modeling was used to analyze the PPK of bupivacaine. Results: One compartment model with first order absorption, two input compartments and a central elimination was selected. The Shapiro-Wilks test of normality for normalized prediction distribution errors for this model (P = 0.156) showed this as a valid model. The selected model predicts a population clearance of 930 ml/min (residual standard error [RSE] = 15.48%, IC 95% = 930 ± 282.24) with inter individual variability of 75.29%. The central volume of distribution was 134 l (RSE = 12.76%, IC = 134 ± 33.51 L) with inter individual variability of 63.40%. The absorption of bupivacaine in two sites Ka1 and Ka2 were 0.00462/min for the lumbar site and 0.292/min for the sciatic site. Age, body weight and sex have no effect on the bupivacaine pharmacokinetics in this studied population. Conclusion: The developed model helps us to assess the systemic absorption of bupivacaine at two injections sites. PMID:24741194

Laboratory measurement of the absorption coefficient of riboflavin for ultraviolet light (365 nm).

PubMed

Iseli, Hans Peter; Popp, Max; Seiler, Theo; Spoerl, Eberhard; Mrochen, Michael

2011-03-01

Corneal cross-linking (CXL) is an increasingly used treatment technique for stabilizing the cornea in keratoconus. Cross-linking (polymerization) between collagen fibrils is induced by riboflavin (vitamin B2) and ultraviolet light (365 nm). Although reported to reach a constant value at higher riboflavin concentrations, the Lambert-Beer law predicts a linear increase in the absorption coefficient. This work was carried out to determine absorption behavior at different riboflavin concentrations and to further investigate the purported plateau absorption coefficient value of riboflavin and to identify possible bleaching effects. The Lambert-Beer law was used to calculate the absorption coefficient at various riboflavin concentrations. The following investigated concentrations of riboflavin solutions were prepared using a mixture of 0.5% riboflavin and 20% Dextran T500 dissolved in 0.9% sodium chloride solution: 0%, 0.02%, 0.03%, 0.04%, 0.05%, 0.06%, 0.08%, 0.1%, 0.2%, 0.3%, 0.4%, and 0.5%, and were investigated with and without aperture plate implementation. An additional test series measured the transmitted power at selected riboflavin concentrations over time. In diluted solutions, a linear correlation exists between the absorption coefficient and riboflavin concentration. The absorption coefficient reaches a plateau, but this occurs at a higher riboflavin concentration (0.1%) than previously reported (just above 0.04%). Transmitted light power increases over time, indicating a bleaching effect of riboflavin. The riboflavin concentration can be effectively varied as a treatment parameter in a considerably broader range than previously thought. Copyright 2011, SLACK Incorporated.

Scattering and radiative properties of complex soot and soot-containing particles

NASA Astrophysics Data System (ADS)

Liu, L.; Mishchenko, M. I.; Mackowski, D. W.; Dlugach, J.

2012-12-01

Tropospheric soot and soot containing aerosols often exhibit nonspherical overall shapes and complex morphologies. They can externally, semi-externally, and internally mix with other aerosol species. This poses a tremendous challenge in particle characterization, remote sensing, and global climate modeling studies. To address these challenges, we used the new numerically exact public-domain Fortran-90 code based on the superposition T-matrix method (STMM) and other theoretical models to analyze the potential effects of aggregation and heterogeneity on light scattering and absorption by morphologically complex soot containing particles. The parameters we computed include the whole scattering matrix elements, linear depolarization ratios, optical cross-sections, asymmetry parameters, and single scattering albedos. It is shown that the optical characteristics of soot and soot containing aerosols very much depend on particle sizes, compositions, and aerosol overall shapes. The soot particle configurations and heterogeneities can have a substantial effect that can result in a significant enhancement of extinction and absorption relative to those computed from the Lorenz-Mie theory. Meanwhile the model calculated information combined with in-situ and remote sensed data can be used to constrain soot particle shapes and sizes which are much needed in climate models.

Transport of sennosides and sennidines from Cassia angustifolia and Cassia senna across Caco-2 monolayers--an in vitro model for intestinal absorption.

PubMed

Waltenberger, B; Avula, B; Ganzera, M; Khan, I A; Stuppner, H; Khan, S I

2008-05-01

Laxative effects of Senna preparations are mainly mediated by rheinanthrone, a metabolite formed in the intestinal flora from dianthrones. Nevertheless, it was not clear whether dianthrones are bioavailable at all and contribute to the overall effects of this important medicinal plant. Using the Caco-2 human colonic cell line as an in vitro model of the human intestinal mucosal barrier, the bioavailability of dianthrones was studied in apical to basolateral (absorptive) and basolateral to apical (secretive) direction. Permeability coefficients (P(c)) and percent transport were calculated based on quantitations by HPLC. From the data obtained it was concluded that sennosides A and B, as well as their aglycones sennidine A and B are transported through the Caco-2 monolayers in a concentration-dependent manner and their transport was linear with time. The absorption in apical to basolateral direction was poor and P(c) values were comparable to mannitol. The transport was higher in the secretory direction, indicating a significant efflux (e.g. by efflux pumps) of the (poorly) absorbed compounds in the intestinal lumen again. Our findings support the general understanding that the laxative effects of Senna are explainable mainly by metabolites and not by the natively present dianthrones.

Influence of multiple scattering and absorption on the full scattering profile and the isobaric point in tissue

NASA Astrophysics Data System (ADS)

Duadi, Hamootal; Fixler, Dror

2015-05-01

Light reflectance and transmission from soft tissue has been utilized in noninvasive clinical measurement devices such as the photoplethysmograph (PPG) and reflectance pulse oximeter. Incident light on the skin travels into the underlying layers and is in part reflected back to the surface, in part transferred and in part absorbed. Most methods of near infrared (NIR) spectroscopy focus on the volume reflectance from a semi-infinite sample, while very few measure transmission. We have previously shown that examining the full scattering profile (angular distribution of exiting photons) provides more comprehensive information when measuring from a cylindrical tissue. Furthermore, an isobaric point was found which is not dependent on changes in the reduced scattering coefficient. The angle corresponding to this isobaric point depends on the tissue diameter. We investigated the role of multiple scattering and absorption on the full scattering profile of a cylindrical tissue. First, we define the range in which multiple scattering occurs for different tissue diameters. Next, we examine the role of the absorption coefficient in the attenuation of the full scattering profile. We demonstrate that the absorption linearly influences the intensity at each angle of the full scattering profile and, more importantly, the absorption does not change the position of the isobaric point. The findings of this work demonstrate a realistic model for optical tissue measurements such as NIR spectroscopy, PPG, and pulse oximetery.

Are Hyperion and Phoebe Linked to Iapetus?

NASA Technical Reports Server (NTRS)

Jarvis, Kandy S.; Vilas, Faith; Larson, Stephen M.; Gaffey, Michael J.

1999-01-01

Narrowband reflectance spectra of the Saturnian satellites S VII Hyperion and S IX Phoebe were obtained across the 0.4 - 0.8 micron spectral region. The spectrum of Phoebe is similar to the spectrum of a C-class asteroid, with an absorption feature centered near 0.43 micron superimposed on the UV/blue intervalence charge transfer transition present in the spectrum. The spectrum of Hyperion shows the strong spectral slope apparent in spectra of many outer Solar System materials and attributed to organics. We use a linear mixing model to separate the reflectance spectrum of the dark material on Hyperion from the icy material. A distinct absorption feature centered at 0.67 micron is present. A slight inflection near 0.4 - 0.6 micron and change in slope near 0.73 micron suggesting the lower wavelength edge of an absorption are also present. These absorptions are very similar to those identified in the spectrum of the dark material on the surface of Iapetus, suggesting that the dark material on these two satellites is compositionally similar and has a similar origin. These absorption features are attributed to the (6)A(sub 1) yields (4)T(sub 2)(G) and (6)A(sub 1) yields (4)T(sub 1)(G) ferric charge transfer transitions in iron alteration minerals such as goethite and hematite that are products of the aqueous alteration of anhydrous silicates.

The vibroacoustic response and sound absorption performance of multilayer, microperforated rib-stiffened plates

NASA Astrophysics Data System (ADS)

Zhou, Haian; Wang, Xiaoming; Wu, Huayong; Meng, Jianbing

2017-10-01

The vibroacoustic response and sound absorption performance of a structure composed of multilayer plates and one rigid back wall are theoretically analyzed. In this structure, all plates are two-dimensional, microperforated, and periodically rib-stiffened. To investigate such a structural system, semianalytical models of one-layer and multilayer plate structures considering the vibration effects are first developed. Then approaches of the space harmonic method and Fourier transforms are applied to a one-layer plate, and finally the cascade connection method is utilized for a multilayer plate structure. Based on fundamental acoustic formulas, the vibroacoustic responses of microperforated stiffened plates are expressed as functions of a series of harmonic amplitudes of plate displacement, which are then solved by employing the numerical truncation method. Applying the inverse Fourier transform, wave propagation, and linear addition properties, the equations of the sound pressures and absorption coefficients for the one-layer and multilayer stiffened plates in physical space are finally derived. Using numerical examples, the effects of the most important physical parameters—for example, the perforation ratio of the plate, sound incident angles, and periodical rib spacing—on sound absorption performance are examined. Numerical results indicate that the sound absorption performance of the studied structure is effectively enhanced by the flexural vibration of the plate in water. Finally, the proposed approaches are validated by comparing the results of stiffened plates of the present work with solutions from previous studies.

Effect of surfactants, gastric emptying, and dosage form on supersaturation of dipyridamole in an in vitro model simulating the stomach and duodenum.

PubMed

Mitra, A; Fadda, H M

2014-08-04

The purpose of this study was to investigate the influence of gastric emptying patterns, surfactants, and dosage form on the supersaturation of a poorly soluble weakly basic drug, dipyridamole, using an in vitro model mimicking the dynamic environment of the upper gastrointestinal tract, and, furthermore, to evaluate the usefulness of this model in establishing correlations to in vivo bioavailability for drugs with solubility/dissolution limited absorption. A simulated stomach duodenum model comprising four compartments was used to assess supersaturation and precipitation kinetics as a function of time. It integrates physiologically relevant fluid volumes, fluid transfer rates, and pH changes of the upper GI tract. Monoexponential gastric emptying patterns simulating the fasted state were compared to linear gastric emptying patterns simulating the fed state. The effect of different surfactants commonly used in oral preparations, specifically, sodium lauryl sulfate (SLS), poloxamer-188, and polysorbate-80, on dipyridamole supersaturation was investigated while maintaining surface tension of the simulated gastric fluids at physiological levels and without obtaining artificial micellar solubilization of the drug. The supersaturation behavior of different dose strengths of dipyridamole was explored. Significant levels of dipyridamole supersaturation were observed in the duodenal compartment under all the different in vivo relevant conditions explored. Dipyridamole supersaturation ratios of up to 11-fold have been observed, and supersaturation has been maintained for up to 120 min. Lower duodenal concentrations of dipyridamole were observed under linear gastric emptying patterns compared to mononexponential gastric emptying. The mean duodenal area under concentration-time curves (AUC60min) for the dipyridamole concentration profile in the duodenal compartment is significantly different for all the surfactants explored (P < 0.05). Our investigations with the different surfactants and comparison of dosage form (solution versus suspension) on the precipitation of dipyridamole revealed that crystal growth, rather than nucleation, is the rate-limiting step for the precipitation of dipyridamole. A linear dose-response relationship was found for the mean in vitro duodenal area under concentration-time curves (AUC∞) in the dose range of 25 mg to 100 mg (R(2) = 0.886). This is in agreement with the pharmacokinetic data of dipyridamole reported in the literature. The simulated stomach duodenum model can provide a reliable and discriminative screening tool for exploring the effect of different physiological variables or formulations on the supersaturation/precipitation kinetics of weakly basic drugs with solubility limited absorption. The amount of drug in solution in the duodenal compartment of the SSD correlates to bioavailability for the weakly basic drug, dipyridamole, which has solubility limited absorption and undergoes supersaturation/precipitation.

Modeling thermoelastic distortion of optics using elastodynamic reciprocity

NASA Astrophysics Data System (ADS)

King, Eleanor; Levin, Yuri; Ottaway, David; Veitch, Peter

2015-07-01

Thermoelastic distortion resulting from optical absorption by transmissive and reflective optics can cause unacceptable changes in optical systems that employ high-power beams. In advanced-generation laser-interferometric gravitational wave detectors, for example, optical absorption is expected to result in wavefront distortions that would compromise the sensitivity of the detector, thus necessitating the use of adaptive thermal compensation. Unfortunately, these systems have long thermal time constants, and so predictive feed-forward control systems could be required, but the finite-element analysis is computationally expensive. We describe here the use of the Betti-Maxwell elastodynamic reciprocity theorem to calculate the response of linear elastic bodies (optics) to heating that has arbitrary spatial distribution. We demonstrate, using a simple example, that it can yield accurate results in computational times that are significantly less than those required for finite-element analyses.

Introduction Analysis of Refrigerating and Air-Conditioning Technologies in Micro Grid Type Food Industrial Park

NASA Astrophysics Data System (ADS)

Shimazaki, Yoichi

The aim of this study was to evaluate the refrigerating and air-conditioning technologies in cases of introducing both cogeneration system and energy network in food industrial park. The energy data of 14 factories were classified into steam, hot water, heating, cooling, refrigerating, freezing and electric power by interviews. The author developed a micro grid model based on linear programming so as to minimize the total system costs. The industrial park was divided into the 2,500 square meter mesh in order to take steam transport into consideration. Four cases were investigated. It was found that the electric power driven freezer was introduced compared with the ammonia absorption freezer. The ammonia absorption freezer was introduced in the factory that there is a little steam demand and large freezing demand at the same time.

THE HANLE AND ZEEMAN POLARIZATION SIGNALS OF THE SOLAR Ca II 8542 Å LINE

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

Štěpán, Jiri; Bueno, Javier Trujillo

We highlight the main results of a three-dimensional (3D) multilevel radiative transfer investigation about the solar disk-center polarization of the Ca ii 8542 Å line. First, through the use of a 3D model of the solar atmosphere, we investigate the linear polarization that occurs due to the atomic level polarization produced by the absorption and scattering of anisotropic radiation, taking into account the symmetry-breaking effects caused by its thermal, dynamic, and magnetic structure. Second, we study the contribution of the Zeeman effect to the linear and circular polarization. Finally, we show examples of the Stokes profiles produced by the jointmore » action of the atomic level polarization and the Hanle and Zeeman effects. We find that the Zeeman effect tends to dominate the linear polarization signals only in the localized patches of opposite magnetic polarity, where the magnetic field is relatively strong and slightly inclined; outside such very localized patches, the linear polarization is often dominated by the contribution of atomic level polarization. We demonstrate that a correct modeling of this last contribution requires taking into account the symmetry-breaking effects caused by the thermal, dynamic, and magnetic structure of the solar atmosphere, and that in the 3D model used the Hanle effect in forward-scattering geometry (disk-center observation) mainly reduces the polarization corresponding to the zero-field case. We emphasize that, in general, a reliable modeling of the linear polarization in the Ca ii 8542 Å line requires taking into account the joint action of atomic level polarization and the Hanle and Zeeman effects.« less

Optical losses in p-type layers of GaN ridge waveguides in the IR region

NASA Astrophysics Data System (ADS)

Westreich, Ohad; Katz, Moti; Atar, Gil; Paltiel, Yossi; Sicron, Noam

2017-07-01

Optical losses in c-plane (0001) GaN ridge waveguides, containing Mg-doped layers, were measured at 1064 nm, using the Fabry-Perot method. The losses increase linearly with the modal content of the p-layer, indicating that the absorption in these waveguides is dominated by p-layer absorption. The p-layer absorption is strongly anisotropic with E⊥c losses 4 times higher than E∥c. The absorption is temperature independent between 10 °C and 60 °C, supporting the possibility that it is related to Mg-bound holes.

Pharmacokinetic analysis of modified-release metoprolol formulations: An interspecies comparison.

PubMed

De Thaye, Elien; Vervaeck, Anouk; Marostica, Eleonora; Remon, Jean Paul; Van Bocxlaer, Jan; Vervaet, Chris; Vermeulen, An

2017-01-15

In the current study, we investigated the metoprolol absorption kinetics of an in-house produced oral sustained-release formulation, matrices manufactured via prilling, and two commercially available formulations, ZOK-ZID ® (reservoir) and Slow-Lopresor ® (matrix) in both New Zealand White rabbits and Beagle dogs, using a population pharmacokinetic analysis approach. The aim of this study was to compare the in vivo pharmacokinetic (PK) profiles of different formulations based on metoprolol, a selective adrenergic β 1 -receptor antagonist, in dogs and rabbits and to contrast the observed differences. To that end, metoprolol (50 to 200mg) was administered to 6 Beagle dogs and 6 New Zealand White rabbits as a single intravenous (IV) bolus injection and to 8 dogs and 6 rabbits as an oral modified release formulation. To derive pharmacokinetic parameters from the data, a non-linear mixed-effects model was developed using NONMEM ® where the contribution of observations below the limit of detection (BDL, below detection limit) to the parameter estimates was taken into account in the parameter estimation procedure. In both species and for the three modified release formulations, different absorption models were tested to describe the PK of metoprolol following oral dosing. In Beagle dogs, plasma concentration-time profiles were best described using a sequential zero- and first-order absorption model. In rabbits though, the absorption phase was best described using a first-order process only. In both species, the reservoir formulation ZOK-ZID ® was behaving quite similarly. In contrast, the absorption properties of both matrix formulations were rather different between species. This study indicates that the PK of the reservoir formulation is similar in both species, even after accounting for the almost completely missed absorption phase in rabbits. The insights gained further illustrate that rabbits are not very well suited to study the PK of the current matrix formulations in view of their less optimal prolonged release characteristics and the resulting fast decline in metoprolol plasma levels. Copyright © 2016 Elsevier B.V. All rights reserved.

Numerical study of surface plasmon enhanced nonlinear absorption and refraction.

PubMed

Kohlgraf-Owens, Dana C; Kik, Pieter G

2008-07-07

Maxwell Garnett effective medium theory is used to study the influence of silver nanoparticle induced field enhancement on the nonlinear response of a Kerr-type nonlinear host. We show that the composite nonlinear absorption coefficient, beta(c), can be enhanced relative to the host nonlinear absorption coefficient near the surface plasmon resonance of silver nanoparticles. This enhancement is not due to a resonant enhancement of the host nonlinear absorption, but rather due to a phase shifted enhancement of the host nonlinear refractive response. The enhancement occurs at the expense of introducing linear absorption, alpha(c), which leads to an overall reduced figure of merit beta(c)/alpha(c) for nonlinear absorption. For thin (< 1 microm) composites, the use of surface plasmons is found to result in an increased nonlinear absorption response compared to that of the host material.

Photorefractive Nonlinear Optics

DTIC Science & Technology

1991-01-15

conjugate interferometer for the measurement of thin film thickness, refractive index and absorption coefficients. Also, we have investigated...conjugate interferometer for the measurement of thin film thickness, refractive index and absorption coefficients. Also, we have investigated...interaction by considering the refractive index grating as a linear superposition of the gratings from each of the frequency components of the

Temperature studies of optical parameters of (Ag3AsS3)0.6(As2S3)0.4 thin films prepared by rapid thermal evaporation and pulse laser deposition

NASA Astrophysics Data System (ADS)

Studenyak, I. P.; Kutsyk, M. M.; Buchuk, M. Yu.; Rati, Y. Y.; Neimet, Yu. Yu.; Izai, V. Yu.; Kökényesi, S.; Nemec, P.

2016-02-01

(Ag3AsS3)0.6(As2S3)0.4 thin films were deposited using rapid thermal evaporation (RTE) and pulse laser deposition (PLD) techniques. Ag-enriched micrometre-sized cones (RTE) and bubbles (PLD) were observed on the thin film surface. Optical transmission spectra of the thin films were studied in the temperature range 77-300 K. The Urbach behaviour of the optical absorption edge in the thin films due to strong electron-phonon interaction was observed, the main parameters of the Urbach absorption edge were determined. Temperature dependences of the energy position of the exponential absorption edge and the Urbach energy are well described in the Einstein model. Dispersion and temperature dependences of refractive indices were analysed; a non-linear increase of the refractive indices with temperature was revealed. Disordering processes in the thin films were studied and compared with bulk composites, the differences between the thin films prepared by RTE and PLD were analysed.

Validation of an analytical method for the quantitative determination of selenium in bacterial biomass by ultraviolet-visible spectrophotometry.

PubMed

Mörschbächer, Ana Paula; Dullius, Anja; Dullius, Carlos Henrique; Bandt, Cassiano Ricardo; Kuhn, Daniel; Brietzke, Débora Tairini; Malmann Kuffel, Fernando José; Etgeton, Henrique Pretto; Altmayer, Taciélen; Gonçalves, Tamara Engelmann; Oreste, Eliézer Quadro; Ribeiro, Anderson Schwingel; de Souza, Claucia Fernanda Volken; Hoehne, Lucélia

2018-07-30

The present paper describes the validation of a spectrophotometry method involving molecular absorption in the visible ultraviolet-visible (UV-Vis) region for selenium (Se) determination in the bacterial biomass produced by lactic acid bacteria (LAB). The method was found to be suitable for the target application and presented a linearity range from 0.025 to 0.250 mg/L Se. The angular and linear coefficients of the linear equation were 1.0678 and 0.0197 mg/L Se, respectively, and the linear correlation coefficient (R 2 ) was 0.9991. Analyte recovery exceeded 96% with a relative standard deviation (RSD) below 3%. The Se contents in LAB ranged from 0.01 to 20 mg/g. The Se contents in the bacterial biomass determined by UV-Vis were not significantly different (p > 0.05) those determined by graphite furnace atomic absorption spectrometry. Thus, Se can be quantified in LAB biomass using this relatively simpler technique. Copyright © 2018 Elsevier Ltd. All rights reserved.

Fast photoacoustic imaging system based on 320-element linear transducer array.

PubMed

Yin, Bangzheng; Xing, Da; Wang, Yi; Zeng, Yaguang; Tan, Yi; Chen, Qun

2004-04-07

A fast photoacoustic (PA) imaging system, based on a 320-transducer linear array, was developed and tested on a tissue phantom. To reconstruct a test tomographic image, 64 time-domain PA signals were acquired from a tissue phantom with embedded light-absorption targets. A signal acquisition was accomplished by utilizing 11 phase-controlled sub-arrays, each consisting of four transducers. The results show that the system can rapidly map the optical absorption of a tissue phantom and effectively detect the embedded light-absorbing target. By utilizing the multi-element linear transducer array and phase-controlled imaging algorithm, we thus can acquire PA tomography more efficiently, compared to other existing technology and algorithms. The methodology and equipment thus provide a rapid and reliable approach to PA imaging that may have potential applications in noninvasive imaging and clinic diagnosis.

Kromoscopic measurement of glucose in the first overtone region of the near-infrared spectrum

NASA Astrophysics Data System (ADS)

Amerov, Airat K.; Sun, Yu; Small, Gary W.; Arnold, Mark A.

2002-05-01

The ability of Kromoscopy to measure glucose selectively is demonstrated in solutions composed glucose, urea, triacetin, bovine serum albumin (BSA), cholesterol, and hemoglobin (Hb). Kromoscopic measurements are made with a four-channel instrument designed for measuring light between 1500 and 1900 nm. The channels are configured to respond to four individual bands of near infrared light centered at 1600, 1700, 1750, and 1800 nm. An equation is proposed that describes the relative response for each channel as a function of relevant experimental parameters. This equation predicts the linear response observed for these types of measurements as a function of solute concentration. In addition, molar absorptivities are provided for glucose, urea, triacetin, BSA, Hb, and water. The non-negligible absorptivity of water demands the consideration of water displacement caused by solute dissolution. Channel responses are measured for a series of thirty-one samples. The chemical composition of these samples is designed to minimize the correlations between glucose concentration and the concentrations of all other solutes. Likewise, these samples provide negligible correlation between the concentration of glucose and the extent of water displacement. A calibration model is constructed for glucose by using a conventional P-matrix multiple linear regression analysis of the four-channel information. The resulting model demonstrates selectivity for glucose with values of 1.27 and 1.34 mM for the standard errors of calibration and prediction, respectively, over a glucose concentration range of 1.9 to 19 mM.

Effects of acoustic- and optical-phonon sidebands on the fundamental optical-absorption edge in crystals and disordered semiconductors

NASA Astrophysics Data System (ADS)

Grein, C. H.; John, Sajeev

1990-04-01

We present the results of a parameter-free first-principles theory for the fine structure of the Urbach optical-absorption edge in crystalline and disordered semiconductors. The dominant features are recaptured by means of a simple physical argument based on the most probable potential-well analogy. At finite temperatures, the overall linear exponential Urbach behavior of the subgap optical-absorption coefficient is a consequence of multiple LA-phonon emission and absorption sidebands that accompany the electronic transition. The fine structure of subgap absorption spectra observed in some materials is accounted for by multiple TO-, LO-, and TA-phonon absorption and emission sidebands. Good agreement is found with experimental data on crystalline silicon. The effects of nonadiabaticity in the electron-phonon interaction are calculated.

Donor impurity-related linear and nonlinear intraband optical absorption coefficients in quantum ring: effects of applied electric field and hydrostatic pressure

PubMed Central

2012-01-01

The linear and nonlinear intraband optical absorption coefficients in GaAs three-dimensional single quantum rings are investigated. Taking into account the combined effects of hydrostatic pressure and electric field, applied along the growth direction of the heterostructure, the energies of the ground and first excited states of a donor impurity have been found using the effective mass approximation and a variational method. The energies of these states are examined as functions of the dimensions of the structure, electric field, and hydrostatic pressure. We have also investigated the dependencies of the linear, nonlinear, and total optical absorption coefficients as a function of incident photon energy for several configurations of the system. It is found that the variation of distinct sizes of the structure leads to either a redshift and/or a blueshift of the resonant peaks of the intraband optical spectrum. In addition, we have found that the application of an electric field leads to a redshift, whereas the influence of hydrostatic pressure leads to a blueshift (in the case of on-ring-center donor impurity position) of the resonant peaks of the intraband optical spectrum. PMID:23021497

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.

Effects of iron on optical properties of dissolved organic matter

USGS Publications Warehouse

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

2014-01-01

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.

Effects of High Hydrostatic Pressure on Water Absorption of Adzuki Beans

PubMed Central

Ueno, Shigeaki; Shigematsu, Toru; Karo, Mineko; Hayashi, Mayumi; Fujii, Tomoyuki

2015-01-01

The effect of high hydrostatic pressure (HHP) treatment on dried soybean, adzuki bean, and kintoki kidney bean, which are low-moisture-content cellular biological materials, was investigated from the viewpoint of water absorption. The samples were vacuum-packed with distilled water and pressurized at 200 MPa and 25 °C for 10 min. After the HHP treatment, time courses of the moisture contents of the samples were measured, and the dimensionless moisture contents were estimated. Water absorption in the case of soybean could be fitted well by a simple water diffusion model. High pressures were found to have negligible effects on water absorption into the cotyledon of soybean and kintoki kidney bean. A non-linear least square method based on the Weibull equation was applied for the adzuki beans, and the effective water diffusion coefficient was found to increase significantly from 8.6 × 10−13 to 6.7 × 10−10 m2/s after HHP treatment. Approximately 30% of the testa of the adzuki bean was damaged upon HHP treatment, which was comparable to the surface area of the testa in the partially peeled adzuki bean sample. Thus, HHP was confirmed to promote mass transfer to the cotyledon of legumes with a tight testa. PMID:28231195

A Mouse Model to Evaluate the Impact of Species, Sex, and Lipid Load on Lymphatic Drug Transport

PubMed Central

Caliph, Suzanne M.; Nguyen, Gary; Tso, Patrick; Charman, William N.

2014-01-01

Purpose To establish a lymph-cannulated mouse model, and use the model to investigate the impact of lipid dose on exogenous and endogenous lipid recruitment, and drug transport, into the lymph of males versus females. Finally, lymphatic transport and drug absorption in the mouse were compared to other pre-clinical models (rats/dogs). Methods Animals were orally or intraduodenally administered 1.6 mg/kg halofantrine in low or high 14C-lipid doses. For bioavailability calculation, animals were intravenuosly administered halofantrine. Lymph or blood samples were taken and halofantrine, triglyceride, phospholipid and 14C-lipid concentrations measured. Results Lymphatic lipid transport increased linearly with lipid dose, was similar across species and in male/female animals. In contrast, lymphatic transport of halofantrine differed markedly across species (dogs>rats>mice) and plateaued at higher lipid doses. Lower bioavailability appeared responsible for some species differences in halofantrine lymphatic transport; however other systematic differences were involved. Conclusions A contemporary lymph-cannulated mouse model was established which will enable investigation of lymphatic transport in transgenic and disease models. The current study found halofantrine absorption and lymphatic transport are reduced in small animals. Future analyses will investigate mechanisms involved, and if similar trends occur for other drugs, to establish the most relevant model(s) to predict lymphatic transport in humans. PMID:23430484

Influence of electrically induced refraction and absorption on the measurement of spin current by pockels effect in GaAs

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

Liu, Houquan; She, Weilong, E-mail: shewl@mail.sysu.edu.cn

2015-03-14

The pockels effect could be utilized to measure spin current in semiconductors for linear electro-optic coefficient can be induced by spin current. When dc electric field is applied, the carriers will shift in k space, which could lead to the change of refraction and absorption coefficients. In this paper, we investigate the influence of the induced change of the refraction and absorption coefficients on the measurement of spin current by pockels effect in GaAs.

Saturn's Icy satellites: The Role of Sub-Micron Ice Particles and Nano-sized Contaminants (Invited)

NASA Astrophysics Data System (ADS)

Clark, R. N.; Cruikshank, D. P.; Dalle Ore, C. M.; Jaumann, R.; Brown, R. H.; Stephan, K.; Buratti, B. J.; Filacchione, G.; Baines, K. H.; Nicholson, P.

2010-12-01

The Visual and Infrared Mapping Spectrometer (VIMS) has obtained spatially resolved imaging spectroscopy data on numerous satellites of Saturn. The spectral trends on individual satellites and as compositional gradients within the Saturn system show systematic trends that indicate variable ice grain sizes and contaminants. Compositional mapping shows that the satellite surfaces are composed largely of H2O ice, with small amounts of CO2, trace organics, bound water or OH-bearing minerals, and possible signatures of ammonia, H2O or OH-bearing minerals, and dark, fine-grained materials. The E-ring coats the inner satellites with sub-micron ice particles. The Cassini Rev 49 Iapetus fly-by on September 10, 2007, provided imaging spectroscopy data on both the dark material and the transition zone between the dark material and the visually bright ice on the trailing side. The dark material has very low albedo with a linear increase in reflectance with wavelength, a 3-micron water absorption, and a CO2 absorption. The only reflectance models that can explain the trends include highly absorbing sub-micron materials that create Rayleigh absorption. Radiative transfer models that include diffraction from Rayleigh scattering and Rayleigh absorption are necessary to match observed data. The dark material is well matched by a high component of fine-grained metallic iron plus a small component of nano-phase hematite. Spatially resolved Iapetus data show mixing of dark material with ice and the mixtures display a blue scattering peak and a UV absorption. The blue scattering peak and UV-Visible absorption is observed in spectra of all satellites at some locations where dark material is mixed with the ice. Rayleigh scattering and Rayleigh absorption have also been observed in spectral properties of the Earth's moon. Rayleigh absorption requires high absorption coefficient nano-sized particles, which is also consistent with metallic iron. The UV absorber appears to have increased strength on satellite surfaces close to Saturn, with a corresponding decrease in metallic iron signature. Possible explanations are that the iron is oxidized closer to Saturn by oxygen in the extended atmosphere of Saturn's rings, or coverage by sub-micron E-ring ice particles, or a combination of both.

Anharmonic resonance absorption of short laser pulses in clusters: A molecular dynamics simulation study

NASA Astrophysics Data System (ADS)

Mahalik, S. S.; Kundu, M.

2016-12-01

Linear resonance (LR) absorption of an intense 800 nm laser light in a nano-cluster requires a long laser pulse >100 fs when Mie-plasma frequency ( ω M ) of electrons in the expanding cluster matches the laser frequency (ω). For a short duration of the pulse, the condition for LR is not satisfied. In this case, it was shown by a model and particle-in-cell (PIC) simulations [Phys. Rev. Lett. 96, 123401 (2006)] that electrons absorb laser energy by anharmonic resonance (AHR) when the position-dependent frequency Ω [ r ( t ) ] of an electron in the self-consistent anharmonic potential of the cluster satisfies Ω [ r ( t ) ] = ω . However, AHR remains to be a debate and still obscure in multi-particle plasma simulations. Here, we identify AHR mechanism in a laser driven cluster using molecular dynamics (MD) simulations. By analyzing the trajectory of each MD electron and extracting its Ω [ r ( t ) ] in the self-generated anharmonic plasma potential, it is found that electron is outer ionized only when AHR is met. An anharmonic oscillator model, introduced here, brings out most of the features of MD electrons while passing the AHR. Thus, we not only bridge the gap between PIC simulations, analytical models, and MD calculations for the first time but also unequivocally prove that AHR process is a universal dominant collisionless mechanism of absorption in the short pulse regime or in the early time of longer pulses in clusters.

The absorption profile of pregabalin in chronic pancreatitis.

PubMed

Olesen, Anne E; Olofsen, Erik; Olesen, Søren S; Staahl, Camilla; Andresen, Trine; Dahan, Albert; Drewes, Asbjørn M

2012-12-01

It was recently shown that pregabalin decreased pain associated with chronic pancreatitis. It is well known that pancreatitis patients suffer from fat malabsorption with accompanying diarrhoea because of loss of exocrine pancreatic enzyme production. This may lead to changes in the mucosal surface in the small intestine and possibly affect the absorption of pregabalin. The pharmacokinetics of pregabalin has never been investigated in patients suffering from chronic pancreatitis. The aim of this study was to develop a population pharmacokinetic model of pregabalin administered to patients with chronic pancreatitis. The pregabalin population pharmacokinetic analysis was conducted on data from fifteen patients with chronic pancreatitis. Each patient received 75 mg of pregabalin (oral capsule). Pregabalin concentrations were measured using a validated liquid chromatographic method. Data analysis was performed using non-linear mixed effects modelling methodology as implemented by NONMEM. A one-compartment model with first-order absorption and elimination adequately described pregabalin pharmacokinetics. Time to maximum observed plasma concentration (T(max) ) was 1.53 (95% CI 1.09-2.05). The maximum plasma concentration (C(max) ) was 1.98 μg/ml (95% CI 1.69-2.34), and area under the plasma concentration-time profile (area under the curve) was 18.2 μg*hr/ml (95% CI 14.7-26.3). Pregabalin is well absorbed in patients with chronic pancreatitis, and the pharmacokinetic profile of pregabalin is not extensively affected by chronic pancreatitis. © 2012 The Authors Basic & Clinical Pharmacology & Toxicology © 2012 Nordic Pharmacological Society.

Composition and structure of fresh ammonia clouds on Jupiter based on quantitative analysis of Galileo/NIMS and New Horizons/LEISA spectra

NASA Astrophysics Data System (ADS)

Sromovsky, L. A.; Fry, P. M.

2018-06-01

Ammonia gas has long been assumed to be the main source of condensables for the upper cloud layer on Jupiter, but distinctive spectral features associated with ammonia have been seen only rarely. Since both ammonia and NH4SH absorb in the 3 μm region, and widespread absorption in the 3 μm region was present (Sromovsky and Fry, 2010), identification of the 2 μm absorption feature of NH3 provided an opportunity to clearly establish its presence in Jovian clouds. Baines et al. (2002) succeeded in finding in Near Infrared Mapping Spectrometer (NIMS) observations one feature that had both 2 μm and 3 μm absorption, and many which were known to have absorption at 2.73 μm. They named these Spectrally Identifiable Ammonia Clouds (SIACs). They also argued that these were fresh ammonia clouds that would eventually succumb to some process that would obscure their absorption features. Detection of many more of the 2 μm features was later achieved by New Horizon's Linear Etalon Imaging Spectral Array (LEISA) instrument, which provided both the spatial and spectral resolution needed to identify these features. Here we report on the first quantitative modeling that uses NIMS spectra over a broad (1-5.2 μm) spectral range and LEISA spectra over a much narrower (1.25-2.5 μm) spectral range to constrain the cloud structure and composition of these rare cloud features and compare them to background clouds. We find that the absorption signature at 2 μm, which is well characterized in LEISA spectra, is relatively subtle and easily matched by model clouds containing spherical particles of ammonia ice with radii of 2-4 μm. The NIMS spectra, which cover both reflected sunlight as well as thermal emission regions are more difficult to model with cloud materials plausibly present in Jupiter's atmosphere. The best signal/noise spectra obtained from NIMS provide a relatively sparse sampling of the spectrum, which does not establish the detailed shape of the 3 μm absorption region. NIMS SIAC spectra with much denser spectral sampling are limited by much higher noise levels that degrade the features that are key to identifying cloud composition. The structure which best matches the wide range NIMS SIAC spectra contains two overlapping NH3 clouds with a bi-modal size distribution over an optically thick NH4SH cloud. The bi-modal distribution may be a result of modeling non-spherical, possibly fractal aggregate, particles with spheres.

Absorption Spectroscopy Analysis of Calcium-Phosphate Glasses Highly Doped with Monovalent Copper.

PubMed

Jiménez, José A

2016-06-03

CaO-P2 O5 glasses with high concentrations of monovalent copper ions were prepared by a simple melt-quench method through CuO and SnO co-doping. Spectroscopic characterization was carried out by optical absorption with the aim of analyzing the effects of Cu(+) ions on the optical band-gap energies, which were estimated on the basis of indirect-allowed transitions. The copper(I) content is estimated in the CuO/SnO-containing glasses after the assessment of the concentration dependence of Cu(2+) absorption in the visible region for CuO singly doped glasses. An exponential dependence of the change in optical band gaps (relative to the host) with Cu(+) concentration is inferred up to about 10 mol %. However, the entire range is divided into two distinct linear regions that are characterized by different rates of change with respect to concentration: 1) below 5 mol %, where the linear dependence presents a relatively high magnitude of the slope; and 2) from 5-10 mol %, where a lower magnitude of the slope is manifested. With increasing concentration, the mean Cu(+) -Cu(+) interionic distance decreases, thereby decreasing the sensitivity of monovalent copper for light absorption. The decrease in optical band-gap energies is ultimately shown to follow a linear dependence with the interionic distance, suggesting the potential of the approach to gauge the concentration of monovalent copper straightforwardly in amorphous hosts. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Collisional Line Mixing in Parallel and Perpendicular Bands of Linear Molecules by a Non-Markovian Approach

NASA Astrophysics Data System (ADS)

Buldyreva, Jeanna

2013-06-01

Reliable modeling of radiative transfer in planetary atmospheres requires accounting for the collisional line mixing effects in the regions of closely spaced vibrotational lines as well as in the spectral wings. Because of too high CPU cost of calculations from ab initio potential energy surfaces (if available), the relaxation matrix describing the influence of collisions is usually built by dynamical scaling laws, such as Energy-Corrected Sudden law. Theoretical approaches currently used for calculation of absorption near the band center are based on the impact approximation (Markovian collisions without memory effects) and wings are modeled via introducing some empirical parameters [1,2]. Operating with the traditional non-symmetric metric in the Liouville space, these approaches need corrections of the ECS-modeled relaxation matrix elements ("relaxation times" and "renormalization procedure") in order to ensure the fundamental relations of detailed balance and sum rules.We present an extension to the infrared absorption case of the previously developed [3] for rototranslational Raman scattering spectra of linear molecules non-Markovian approach of ECS-type. Owing to the specific choice of symmetrized metric in the Liouville space, the relaxation matrix is corrected for initial bath-molecule correlations and satisfies non-Markovian sum rules and detailed balance. A few standard ECS parameters determined by fitting to experimental linewidths of the isotropic Q-branch enable i) retrieval of these isolated-line parameters for other spectroscopies (IR absorption and anisotropic Raman scattering); ii) reproducing of experimental intensities of these spectra. Besides including vibrational angular momenta in the IR bending shapes, Coriolis effects are also accounted for. The efficiency of the method is demonstrated on OCS-He and CO_2-CO_2 spectra up to 300 and 60 atm, respectively. F. Niro, C. Boulet, and J.-M. Hartmann, J. Quant. Spectrosc. Radiat. Transf. 88, 483 (2004). H. Tran, C. Boulet, S. Stefani, M. Snels, and G. Piccioni, J. Quant. Spectrosc. Radiat. Transf. 112, 925 (2011). J. Buldyreva and L. Bonamy, Phys. Rev. A 60, 370-376 (1999).

Unique attributes of cyanobacterial metabolism revealed by improved genome-scale metabolic modeling and essential gene analysis

DOE PAGES

Broddrick, Jared T.; Rubin, Benjamin E.; Welkie, David G.; ...

2016-12-20

The model cyanobacterium, Synechococcus elongatus PCC 7942, is a genetically tractable obligate phototroph that is being developed for the bioproduction of high-value chemicals. Genome-scale models (GEMs) have been successfully used to assess and engineer cellular metabolism; however, GEMs of phototrophic metabolism have been limited by the lack of experimental datasets for model validation and the challenges of incorporating photon uptake. In this paper, we develop a GEM of metabolism in S. elongatus using random barcode transposon site sequencing (RB-TnSeq) essential gene and physiological data specific to photoautotrophic metabolism. The model explicitly describes photon absorption and accounts for shading, resulting inmore » the characteristic linear growth curve of photoautotrophs. GEM predictions of gene essentiality were compared with data obtained from recent dense-transposon mutagenesis experiments. This dataset allowed major improvements to the accuracy of the model. Furthermore, discrepancies between GEM predictions and the in vivo dataset revealed biological characteristics, such as the importance of a truncated, linear TCA pathway, low flux toward amino acid synthesis from photorespiration, and knowledge gaps within nucleotide metabolism. Finally, coupling of strong experimental support and photoautotrophic modeling methods thus resulted in a highly accurate model of S. elongatus metabolism that highlights previously unknown areas of S. elongatus biology.« less

Unique attributes of cyanobacterial metabolism revealed by improved genome-scale metabolic modeling and essential gene analysis

PubMed Central

Broddrick, Jared T.; Rubin, Benjamin E.; Welkie, David G.; Du, Niu; Mih, Nathan; Diamond, Spencer; Lee, Jenny J.; Golden, Susan S.; Palsson, Bernhard O.

2016-01-01

The model cyanobacterium, Synechococcus elongatus PCC 7942, is a genetically tractable obligate phototroph that is being developed for the bioproduction of high-value chemicals. Genome-scale models (GEMs) have been successfully used to assess and engineer cellular metabolism; however, GEMs of phototrophic metabolism have been limited by the lack of experimental datasets for model validation and the challenges of incorporating photon uptake. Here, we develop a GEM of metabolism in S. elongatus using random barcode transposon site sequencing (RB-TnSeq) essential gene and physiological data specific to photoautotrophic metabolism. The model explicitly describes photon absorption and accounts for shading, resulting in the characteristic linear growth curve of photoautotrophs. GEM predictions of gene essentiality were compared with data obtained from recent dense-transposon mutagenesis experiments. This dataset allowed major improvements to the accuracy of the model. Furthermore, discrepancies between GEM predictions and the in vivo dataset revealed biological characteristics, such as the importance of a truncated, linear TCA pathway, low flux toward amino acid synthesis from photorespiration, and knowledge gaps within nucleotide metabolism. Coupling of strong experimental support and photoautotrophic modeling methods thus resulted in a highly accurate model of S. elongatus metabolism that highlights previously unknown areas of S. elongatus biology. PMID:27911809

Unique attributes of cyanobacterial metabolism revealed by improved genome-scale metabolic modeling and essential gene analysis

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

Broddrick, Jared T.; Rubin, Benjamin E.; Welkie, David G.

The model cyanobacterium, Synechococcus elongatus PCC 7942, is a genetically tractable obligate phototroph that is being developed for the bioproduction of high-value chemicals. Genome-scale models (GEMs) have been successfully used to assess and engineer cellular metabolism; however, GEMs of phototrophic metabolism have been limited by the lack of experimental datasets for model validation and the challenges of incorporating photon uptake. In this paper, we develop a GEM of metabolism in S. elongatus using random barcode transposon site sequencing (RB-TnSeq) essential gene and physiological data specific to photoautotrophic metabolism. The model explicitly describes photon absorption and accounts for shading, resulting inmore » the characteristic linear growth curve of photoautotrophs. GEM predictions of gene essentiality were compared with data obtained from recent dense-transposon mutagenesis experiments. This dataset allowed major improvements to the accuracy of the model. Furthermore, discrepancies between GEM predictions and the in vivo dataset revealed biological characteristics, such as the importance of a truncated, linear TCA pathway, low flux toward amino acid synthesis from photorespiration, and knowledge gaps within nucleotide metabolism. Finally, coupling of strong experimental support and photoautotrophic modeling methods thus resulted in a highly accurate model of S. elongatus metabolism that highlights previously unknown areas of S. elongatus biology.« less

Theoretical foundations of apparent-damping phenomena and nearly irreversible energy exchange in linear conservative systems.

PubMed

Carcaterra, A; Akay, A

2007-04-01

This paper discusses a class of unexpected irreversible phenomena that can develop in linear conservative systems and provides a theoretical foundation that explains the underlying principles. Recent studies have shown that energy can be introduced to a linear system with near irreversibility, or energy within a system can migrate to a subsystem nearly irreversibly, even in the absence of dissipation, provided that the system has a particular natural frequency distribution. The present work introduces a general theory that provides a mathematical foundation and a physical explanation for the near irreversibility phenomena observed and reported in previous publications. Inspired by the properties of probability distribution functions, the general formulation developed here is based on particular properties of harmonic series, which form the common basis of linear dynamic system models. The results demonstrate the existence of a special class of linear nondissipative dynamic systems that exhibit nearly irreversible energy exchange and possess a decaying impulse response. In addition to uncovering a new class of dynamic system properties, the results have far-reaching implications in engineering applications where classical vibration damping or absorption techniques may not be effective. Furthermore, the results also support the notion of nearly irreversible energy transfer in conservative linear systems, which until now has been a concept associated exclusively with nonlinear systems.

Subcutaneous insulin absorption explained by insulin's physicochemical properties. Evidence from absorption studies of soluble human insulin and insulin analogues in humans.

PubMed

Kang, S; Brange, J; Burch, A; Vølund, A; Owens, D R

1991-11-01

To study the influence of molecular aggregation on rates of subcutaneous insulin absorption and to attempt to elucidate the mechanism of absorption of conventional soluble human insulin in humans. Seven healthy male volunteers aged 22-43 yr and not receiving any drugs comprised the study. This study consisted of a single-blind randomized comparison of equimolar dosages of 125I-labeled forms of soluble hexameric 2 Zn2+ human insulin and human insulin analogues with differing association states at pharmaceutical concentrations (AspB10, dimeric; AspB28, mixture of monomers and dimers; AspB9, GluB27, monomeric). After an overnight fast and a basal period of 1 h, 0.6 nmol/kg of either 125I-labeled human soluble insulin (Actrapid HM U-100) or 125I-labeled analogue was injected subcutaneously on 4 separate days 1 wk apart. Absorption was assessed by measurement of residual radioactivity at the injection site by external gamma-counting. The mean +/- SE initial fractional disappearance rates for the four preparations were 20.7 +/- 1.9 (hexameric soluble human insulin), 44.4 +/- 2.5 (dimeric analogue AspB10), 50.6 +/- 3.9 (analogue AspB28), and 67.4 +/- 7.4%/h (monomeric analogue AspB9, GluB27). Absorption of the dimeric analogue was significantly faster than that of hexameric human insulin (P less than 0.001); absorption of monomeric insulin analogue AspB9, GluB27 was significantly faster than that of dimeric analogue AspB10 (P less than 0.01). There was an inverse linear correlation between association state and the initial fractional disappearance rates (r = -0.98, P less than 0.02). Analysis of the disappearance data on a log linear scale showed that only the monomeric analogue had a monoexponential course throughout. Two phases in the rates of absorption were identified for the dimer and three for hexameric human insulin. The fractional disappearance rates (%/h) calculated by log linear regression analysis were monomer 73.3 +/- 6.8; dimer 44.4 +/- 2.5 from 0 to 2 h and 68.9 +/- 3.5 from 2.5 h onward; and hexameric insulin 20.7 +/- 1.9 from 0 to 2 h, 45.6 +/- 5.0 from 2.5 to 5 h, and 70.6 +/- 6.3 from 5 h onward. Association state is a major determinant of rates of absorption of insulin and insulin analogues. The lag phase and the subsequent increasing rate of subcutaneous soluble insulin absorption can be explained by the associated state of native insulin in pharmaceutical formulation and its progressive dissociation into smaller units during the absorption process.

Overcoming Matrix Effects in a Complex Sample: Analysis of Multiple Elements in Multivitamins by Atomic Absorption Spectroscopy

ERIC Educational Resources Information Center

Arnold, Randy J.; Arndt, Brett; Blaser, Emilia; Blosser, Chris; Caulton, Dana; Chung, Won Sog; Fiorenza, Garrett; Heath, Wyatt; Jacobs, Alex; Kahng, Eunice; Koh, Eun; Le, Thao; Mandla, Kyle; McCory, Chelsey; Newman, Laura; Pithadia, Amit; Reckelhoff, Anna; Rheinhardt, Joseph; Skljarevski, Sonja; Stuart, Jordyn; Taylor, Cassie; Thomas, Scott; Tse, Kyle; Wall, Rachel; Warkentien, Chad

2011-01-01

A multivitamin tablet and liquid are analyzed for the elements calcium, magnesium, iron, zinc, copper, and manganese using atomic absorption spectrometry. Linear calibration and standard addition are used for all elements except calcium, allowing for an estimate of the matrix effects encountered for this complex sample. Sample preparation using…

Contribution to the spectroscopic study of cytostatics molecules

NASA Astrophysics Data System (ADS)

Staicu, Angela; Pascu, Mihail-Lucian; Mogos, Ioan; Enescu, Mironel; Truica, Sorina; Voicu, Letitia; Gazdaru, Doina M.; Radu, Alina; Gazdaru, S.

2001-06-01

The effect of UV irradiation of methotrexate was investigated by steady state absorption and fluorescence spectroscopy. Major modifications on absorption bands were detected upon irradiation fluence greater than 59J/cm2. In addition the irradiated solutions become strongly fluorescent. The detected changes are not linear with the exposure time suggesting that the photo-induced chemical processes are complex.

Plasma endotoxin core antibody concentration and linear growth are unrelated in rural Malawian children aged 2-5 years

USDA-ARS?s Scientific Manuscript database

Environmental enteropathy is subclinical inflammation of the upper gastrointestinal tract associated with reduced linear growth in developing countries. Usually investigators have used biopsy or a dual sugar absorption test to assess environmental enteropathy. Such tests are time and resource intens...

Substituent and solvent effects on the UV/vis absorption spectra of 5-(3- and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones

NASA Astrophysics Data System (ADS)

Mijin, Dušan Ž.; Ušćumlić, Gordana S.; Perišić-Janjić, Nada U.; Valentić, Nataša V.

2006-01-01

Absorption spectra of seventeen 5-(3- and 4-substituted arylazo)-4,6-dimethyl-3-cyano-2-pyridones have been recorded in 12 protic and aprotic solvents in the range 200-600 nm. The effects of substituents on the absorption spectra of these new azo dyes are interpreted by correlation of absorption frequencies with Hammett equation. The solute-solvent interactions were clarified on the basis of linear solvation energy relationships concept proposed by Kamlet and Taft. The 2-pyridone/2-hydroxypiridine tautomeric equilibration is found to depend upon substituents as well as on solvents.

Vibration mitigation in partially liquid-filled vessel using passive energy absorbers

NASA Astrophysics Data System (ADS)

Farid, M.; Levy, N.; Gendelman, O. V.

2017-10-01

We consider possible solutions for vibration mitigation in reduced-order model (ROM) of partially filled liquid tank under impulsive forcing. Such excitations may lead to strong hydraulic impacts applied to the tank inner walls. Finite stiffness of the tank walls is taken into account. In order to mitigate the dangerous internal stresses in the tank walls, we explore both linear (Tuned Mass Damper) and nonlinear (Nonlinear Energy Sink) passive vibration absorbers; mitigation performance in both cases is examined numerically. The liquid sloshing mass is modeled by equivalent mass-spring-dashpot system, which can both perform small-amplitude linear oscillations and hit the vessel walls. We use parameters of the equivalent mass-spring-dashpot system for a well-explored case of cylindrical tanks. The hydraulic impacts are modeled by high-power potential and dissipation functions. Critical location in the tank structure is determined and expression of the corresponding local mechanical stress is derived. We use finite element approach to assess the natural frequencies for specific system parameters. Numerical evaluation criteria are suggested to determine the energy absorption performance.

Pharmacokinetic-Pharmacodynamic Modeling of Unboosted Atazanavir in a Cohort of Stable HIV-Infected Patients

PubMed Central

Baudry, Thomas; Gagnieu, Marie-Claude; Boibieux, André; Livrozet, Jean-Michel; Peyramond, Dominique; Tod, Michel; Ferry, Tristan

2013-01-01

Limited data on the pharmacokinetics and pharmacodynamics (PK/PD) of unboosted atazanavir (uATV) in treatment-experienced patients are available. The aim of this work was to study the PK/PD of unboosted atazanavir in a cohort of HIV-infected patients. Data were available for 58 HIV-infected patients (69 uATV-based regimens). Atazanavir concentrations were analyzed by using a population approach, and the relationship between atazanavir PK and clinical outcome was examined using logistic regression. The final PK model was a linear one-compartment model with a mixture absorption model to account for two subgroups of absorbers. The mean (interindividual variability) of population PK parameters were as follows: clearance, 13.4 liters/h (40.7%), volume of distribution, 71.1 liters (29.7%), and fraction of regular absorbers, 0.49. Seven subjects experienced virological failure after switch to uATV. All of them were identified as low absorbers in the PK modeling. The absorption rate constant (0.38 ± 0.20 versus 0.75 ± 0.28 h−1; P = 0.002) and ATV exposure (area under the concentration-time curve from 0 to 24 h [AUC0–24], 10.3 ± 2.1 versus 22.4 ± 11.2 mg · h · liter−1; P = 0.001) were significantly lower in patients with virological failure than in patients without failure. In the logistic regression analysis, both the absorption rate constant and ATV trough concentration significantly influenced the probability of virological failure. A significant relationship between ATV pharmacokinetics and virological response was observed in a cohort of HIV patients who were administered unboosted atazanavir. This study also suggests that twice-daily administration of uATV may optimize drug therapy. PMID:23147727

Superficial heat reduction technique for a hybrid microwave-optical device.

PubMed

Al-Armaghany, A; Tong, K; Leung, T S

2013-01-01

Microwave applicator in the form of a circularly polarized microstrip patch antenna is proposed to provide localized deep heating in biological tissue, which causes blood vessels to dilate leading to changes in tissue oxygenation. These changes are monitored by an integrated optical system for studying thermoregulation in different parts of the human body. Using computer simulations, this paper compares circularly and linearly polarized antennas in terms of the efficiency of depositing electromagnetic (EM) energy and the heating patterns. The biological model composes of the skin, fat and muscle layers with appropriate dielectric and thermal properties. The results show that for the same specific absorption rate (SAR) in the muscle, the circularly polarized antenna results in a lower SAR in the skin-fat interface than the linearly polarized antenna. The thermal distribution is also presented based on the biological heat equation. The proposed circularly polarized antenna shows heat reduction in the superficial layers in comparison to the linearly polarized antenna.

Universal modal radiation laws for all thermal emitters

PubMed Central

Zhu, Linxiao; Fan, Shanhui

2017-01-01

We derive four laws relating the absorptivity and emissivity of thermal emitters. Unlike the original Kirchhoff radiation law derivations, these derivations include diffraction, and so are valid also for small objects, and can also cover nonreciprocal objects. The proofs exploit two recent approaches. First, we express all fields in terms of the mode-converter basis sets of beams; these sets, which can be uniquely established for any linear optical object, give orthogonal input beams that are coupled one-by-one to orthogonal output beams. Second, we consider thought experiments using universal linear optical machines, which allow us to couple appropriate beams and black bodies. Two of these laws can be regarded as rigorous extensions of previously known laws: One gives a modal version of a radiation law for reciprocal objects—the absorptivity of any input beam equals the emissivity into the “backward” (i.e., phase-conjugated) version of that beam; another gives the overall equality of the sums of the emissivities and the absorptivities for any object, including nonreciprocal ones. The other two laws, valid for reciprocal and nonreciprocal objects, are quite different from previous relations. One shows universal equivalence of the absorptivity of each mode-converter input beam and the emissivity into its corresponding scattered output beam. The other gives unexpected equivalences of absorptivity and emissivity for broad classes of beams. Additionally, we prove these orthogonal mode-converter sets of input and output beams are the ones that maximize absorptivities and emissivities, respectively, giving these beams surprising additional physical meaning. PMID:28396436

Glyoxal-methylglyoxal cross-reactions in secondary organic aerosol formation.

PubMed

Schwier, Allison N; Sareen, Neha; Mitroo, Dhruv; Shapiro, Erica L; McNeill, V Faye

2010-08-15

Glyoxal (G) and methylglyoxal (MG) are potentially important secondary organic aerosol (SOA) precursors. Previous studies of SOA formation by G and MG have focused on either species separately; however, G and MG typically coexist in the atmosphere. We studied the formation of secondary organic material in aqueous aerosol mimic mixtures containing G and MG with ammonium sulfate. We characterized the formation of light-absorbing products using UV-vis spectrophotometry. We found that absorption at 280 nm can be described well using models for the formation of light-absorbing products by G and MG in parallel. Pendant drop tensiometry measurements showed that surface tension depression by G and MG in these solutions can be modeled as a linear combination of the effects of G and MG alone. Product species were identified using chemical ionization mass spectrometry with a volatilization flow tube inlet (Aerosol CIMS). Peaks consistent with G-MG cross-reaction products were observed, accounting for a significant fraction of detected product mass, but most peaks could be attributed to self-reaction. We conclude that cross-reactions contribute to SOA mass from uptake of G and MG, but they are not required to accurately model the effects of this process on aerosol surface tension or light absorption.

FT-IR and computer modeling study of hydrogen bonding in N-alkyl acrylamide-toluene binary mixtures

NASA Astrophysics Data System (ADS)

Rumyantsev, Misha; Kazantsev, Oleg A.; Kamorina, Sofia I.; Kamorin, Denis M.; Sivokhin, Alexey P.

2016-10-01

Degree of hydrogen bonding driven self-association of N-(n-butyl)acrylamide, N-(n-octyl)acrylamide, N-(sec-octyl)acrylamide and N-(tert-octyl)acrylamide in toluene was investigated using IR spectroscopy and computer modeling methods. Consistent results were demonstrated in the treatment of the Amide-I (νC=O), Amide-II (δN-H and νC-N) and Amide-A (νN-H) absorption bands in IR spectra. Thus, the content of non-bonded (free) amide groups decreases from 83-98% to 8-20% and the content of linear polyassociates increases to 80-90% with an increase in monomer concentration from 0.5 wt% to 50 wt%. The content of cyclic dimers was equal to the value between 5 and 10% regardless of the initial monomer concentration. Dependences of the association degree and the content of the linear polyassociates on the concentration were found to be similar for all of the studied amides.

Experimental exploration of the Mulliken-Hush relationship for intramolecular electron transfer reactions.

PubMed

Mukherjee, Tamal; Ito, Naoki; Gould, Ian R

2011-03-17

The Mulliken-Hush (M-H) relationship provides the critical link between optical and thermal electron transfer processes, and yet very little direct experimental support for its applicability has been provided. Dicyanovinylazaadamantane (DCVA) represents a simple two-state (neutral/charge-transfer) intramolecular electron transfer system that exhibits charge-transfer absorption and emission spectra that are readily measurable in solvents with a wide range of polarities. In this regard it represents an ideal model system for studying the factors that control both optical charge separation (absorption) and recombination (emission) processes in solution. Here we explore the applicability of the M-H relation to quantitative descriptions of the optical charge-transfer processes in DCVA. For DCVA, the measured radiative rate constants exhibit a linear dependence on transition energy, and transition dipole moments exhibit an inverse dependence on transition energy, consistent with the M-H relationship.

Coherent vibrational climbing in carboxyhemoglobin

PubMed Central

Ventalon, Cathie; Fraser, James M.; Vos, Marten H.; Alexandrou, Antigoni; Martin, Jean-Louis; Joffre, Manuel

2004-01-01

We demonstrate vibrational climbing in the CO stretch of carboxyhemoglobin pumped by midinfrared chirped ultrashort pulses. By use of spectrally resolved pump-probe measurements, we directly observed the induced absorption lines caused by excited vibrational populations up to v = 6. In some cases, we also observed stimulated emission, providing direct evidence of vibrational population inversion. This study provides important spectroscopic parameters on the CO stretch in the strong-field regime, such as transition frequencies and dephasing times up to the v = 6to v = 7 vibrational transition. We measured equally spaced vibrational transitions, in agreement with the energy levels of a Morse potential up to v = 6. It is interesting that the integral of the differential absorption spectra was observed to deviate far from zero, in contrast to what one would expect from a simple one-dimensional Morse model assuming a linear dependence of dipole moment with bond length. PMID:15319472

Population Pharmacokinetics of Oral Baclofen in Pediatric Patients with Cerebral Palsy

PubMed Central

He, Yang; Brunstrom-Hernandez, Janice E.; Thio, Liu Lin; Lackey, Shellie; Gaebler-Spira, Deborah; Kuroda, Maxine M.; Stashinko, Elaine; Hoon, Alexander H.; Vargus-Adams, Jilda; Stevenson, Richard D.; Lowenhaupt, Stephanie; McLaughlin, John F.; Christensen, Ana; Dosa, Nienke P.; Butler, Maureen; Schwabe, Aloysia; Lopez, Christina; Roge, Desiree; Kennedy, Diane; Tilton, Ann; Krach, Linda E.; Lewandowski, Andrew; Dai, Hongying; Gaedigk, Andrea; Leeder, J. Steven; Jusko, William J.

2014-01-01

Objective To characterize the population pharmacokinetics (PK) of oral baclofen and assess impact of patient-specific covariates in children with cerebral palsy (CP) in order to support its clinical use. Subjects design Children (2-17 years of age) with CP received a dose of titrated oral baclofen from 2.5 mg 3 times a day to a maximum tolerated dose of up to 20 mg 4 times a day. PK sampling followed titration of 10-12 weeks. Serial R- and S-baclofen plasma concentrations were measured for up to 16 hours in 49 subjects. Population PK modeling was performed using NONMEM 7.1 (ICON PLC; Ellicott City, Maryland). Results R- and S-baclofen showed identical concentration-time profiles. Both baclofen enantiomers exhibited linear and dose/kg-proportional PK, and no sex differences were observed. Average baclofen terminal half-life was 4.5 hours. A 2-compartment PK model with linear elimination and transit absorption steps adequately described concentration-time profiles of both baclofen enantiomers. The mean population estimate of apparent clearance/F was 0.273 L/h/kg with 33.4% inter-individual variability (IIV), and the apparent volume of distribution (Vss/F) was 1.16 L/kg with 43.9% IIV. Delayed absorption was expressed by a mean transit time of 0.389 hours with 83.7% IIV. Body weight, a possible genetic factor, and age were determinants of apparent clearance in these children. Conclusion The PK of oral baclofen exhibited dose-proportionality and were adequately described by a 2-compartment model. Our population PK findings suggest that baclofen dosage can be based on body weight (2 mg/kg per day) and the current baclofen dose escalation strategy is appropriate in the treatment of children with CP older than 2 years of age. PMID:24607242

Development of an energy storage tank model

NASA Astrophysics Data System (ADS)

Buckley, Robert Christopher

A linearized, one-dimensional finite difference model employing an implicit finite difference method for energy storage tanks is developed, programmed with MATLAB, and demonstrated for different applications. A set of nodal energy equations is developed by considering the energy interactions on a small control volume. The general method of solving these equations is described as are other features of the simulation program. Two modeling applications are presented: the first using a hot water storage tank with a solar collector and an absorption chiller to cool a building in the summer, the second using a molten salt storage system with a solar collector and steam power plant to generate electricity. Recommendations for further study as well as all of the source code generated in the project are also provided.

Time domain simulation of harmonic ultrasound images and beam patterns in 3D using the k-space pseudospectral method.

PubMed

Treeby, Bradley E; Tumen, Mustafa; Cox, B T

2011-01-01

A k-space pseudospectral model is developed for the fast full-wave simulation of nonlinear ultrasound propagation through heterogeneous media. The model uses a novel equation of state to account for nonlinearity in addition to power law absorption. The spectral calculation of the spatial gradients enables a significant reduction in the number of required grid nodes compared to finite difference methods. The model is parallelized using a graphical processing unit (GPU) which allows the simulation of individual ultrasound scan lines using a 256 x 256 x 128 voxel grid in less than five minutes. Several numerical examples are given, including the simulation of harmonic ultrasound images and beam patterns using a linear phased array transducer.

The effect of pump depletion on reversible photodegradation

NASA Astrophysics Data System (ADS)

Anderson, Benjamin; Hung, Sheng-Ting; Kuzyk, Mark G.

2014-05-01

We model the effect of pump depletion on reversible photodegradation using the extended domain model [Anderson and Kuzyk, arXiv:1309.5176v1, 2013] and the Beer-Lambert law. We find that neglecting pump absorption in the analysis of the linear optical transmittance leads to an underestimate of the degree and rate of photodegradation. The model is used to accurately measure the molecular absorbance cross sections of the three species involved in photodegradation of disperse orange 11 dye in (poly)methyl-methacralate polymer (DO11/PMMA). Finally we find that the processing history of a dye-doped polymer affects reversible photodegradation, with polymerized monomer solutions of DO11 being more photostable than those prepared from solvent evaporated dye-polymer solutions.

Exchange field effect in the crystal-field ground state of Ce M Al 4 Si 2

DOE PAGES

Chen, K.; Strigari, F.; Sundermann, M.; ...

2016-09-06

The crystal-field ground-state wave functions of the tetragonal, magnetically ordering Kondo lattice materials CeMAl 4Si 2 (M = Rh, Ir, and Pt) are determined in this paper with low-temperature linearly polarized soft-x-ray absorption spectroscopy, and estimates for the crystal-field splittings are given from the temperature evolution of the linear dichroism. Values for the dominant exchange field in the magnetically ordered phases can be obtained from fitting the influence of magnetic order on the linear dichroism. The direction of the required exchange field is || c for the antiferromagnetic Rh and Ir compounds, with the corresponding strength of the order ofmore » λ ex ≈ 6 meV (65 K). Finally and furthermore, the presence of Kondo screening in the Rh and Ir compound is demonstrated on the basis of the absorption due to f 0 in the initial state.« less

A multimode vibronic treatment of absorption, resonance Raman, and hyper-Rayleigh scattering of excitonically coupled molecular dimers

NASA Astrophysics Data System (ADS)

Myers Kelley, Anne

2003-08-01

The linear absorption spectra, resonance Raman excitation profiles and depolarization dispersion curves, and hyper-Rayleigh scattering profiles are calculated for excitonically coupled homodimers of a model electron donor-acceptor "push-pull" conjugated chromophore as a function of dimer geometry. The vibronic eigenstates of the dimer are calculated by diagonalizing the matrix of transition dipole couplings among the vibronic transitions of the constituent monomers. The absorption spectra show the usual red- or blueshifted transitions for J-type or H-type dimers, respectively. When the electronic coupling is large compared with the vibronic width of the monomer spectrum, the dimer absorption spectra exhibit simple Franck-Condon progressions having reduced vibronic intensities compared with the monomer, and the resonance Raman excitation profiles are shifted but otherwise only weakly perturbed. When the coupling is comparable to the vibronic width, the H-dimer absorption spectra exhibit irregular vibronic frequency spacings and intensity patterns and the effects on the Raman excitation profiles are larger. There is strong dispersion in the Raman depolarization ratios for dimer geometries in which both transitions carry oscillator strength. The first hyperpolarizabilities are somewhat enhanced in J-dimers and considerably reduced in H-dimers. These effects on the molecular β will amplify the effects of dimerization on the ground-state dipole moment in electro-optic materials formed from chromophore-doped polymers that must be electric field poled to obtain the net alignment needed for a macroscopic χ(2).

Flame monitoring of a model swirl injector using 1D tunable diode laser absorption spectroscopy tomography

NASA Astrophysics Data System (ADS)

Liu, Chang; Cao, Zhang; Li, Fangyan; Lin, Yuzhen; Xu, Lijun

2017-05-01

Distributions of temperature and H2O concentration in a swirling flame are critical to evaluate the performance of a gas turbine combustor. In this paper, 1D tunable diode laser absorption spectroscopy tomography (1D-TDLAST) was introduced to monitor swirling flames generated from a model swirl injector by simultaneously reconstructing the rotationally symmetric distributions of temperature and H2O concentration. The optical system was sufficiently simplified by introducing only one fan-beam illumination and a linear detector array of 12 equally-spaced photodetectors. The fan-beam illumination penetrated a cross section of interest in the swirling flame and the transmitted intensities were detected by the detector array. With the transmitted intensities in hand, projections were extracted and employed by a 1D tomographic algorithm to reconstruct the distributions of temperature and H2O concentration. The route of the precessing vortex core generated in the swirling flame can be easily inferred from the reconstructed profiles of temperature and H2O concentration at different heights above the nozzle of the swirl injector.

Evaluation of discrete frequency sound in closed-test-section wind tunnels

NASA Technical Reports Server (NTRS)

Mosher, Marianne

1990-01-01

The principal objective of this study is to assess the adequacy of linear acoustic theory with an impedance wall boundary condition for modeling the detailed sound field of an acoustic source in a duct. This study compares measurements and calculations of a simple acoustic source in a rectangular concrete duct lined with foam on the walls and anechoic end terminations. Measuring acoustic pressure for 12 wave numbers provides variation in frequency and absorption characteristics of the duct walls. The cases in this study contain low frequencies and low wall absorptions corresponding to measurements of low-frequency helicopter noise in a lined wind tunnel. This regime is particularly difficult to measure in wind tunnels due to high levels of the reverberant field relatively close to the source. Close to the source, where the interference of wall reflections is minimal, correlation is very good. Away from the source, correlation degrades, especially for the lower frequencies. Sensitivity studies show little effect on the predicted results for changes in impedance boundary condition values, source location, measurement location, temperature, and source model for variations spanning the expected measurement error.

Pharmacokinetics of plasma enfuvirtide after subcutaneous administration to patients with human immunodeficiency virus: Inverse Gaussian density absorption and 2-compartment disposition.

PubMed

Zhang, Xiaoping; Nieforth, Keith; Lang, Jean-Marie; Rouzier-Panis, Regine; Reynes, Jacques; Dorr, Albert; Kolis, Stanley; Stiles, Mark R; Kinchelow, Tosca; Patel, Indravadan H

2002-07-01

Enfuvirtide (T-20) is the first of a novel class of human immunodeficiency virus (HIV) drugs that block gp41-mediated viral fusion to host cells. The objectives of this study were to develop a structural pharmacokinetic model that would adequately characterize the absorption and disposition of enfuvirtide pharmacokinetics after both intravenous and subcutaneous administration and to evaluate the dose proportionality of enfuvirtide pharmacokinetic parameters at a subcutaneous dose higher than that currently used in phase III studies. Twelve patients with HIV infection received 4 single doses of enfuvirtide separated by a 1-week washout period in an open-label, randomized, 4-way crossover fashion. The doses studied were 90 mg (intravenous) and 45 mg, 90 mg, and 180 mg (subcutaneous). Serial blood samples were collected up to 48 hours after each dose. Plasma enfuvirtide concentrations were measured with use of a validated liquid chromatography-tandem mass spectrometry method. Enfuvirtide plasma concentration-time data after subcutaneous administration were well described by an inverse Gaussian density function-input model linked to a 2-compartment open distribution model with first-order elimination from the central compartment. The model-derived mean pharmacokinetic parameters (+/-SD) were volume of distribution of the central compartment (3.8 +/- 0.8 L), volume of distribution of the peripheral compartment (1.7 +/- 0.6 L), total clearance (1.44 +/- 0.30 L/h), intercompartmental distribution (2.3 +/- 1.1 L/h), bioavailability (89% +/- 11%), and mean absorption time (7.26 hours, 8.65 hours, and 9.79 hours for the 45-mg, 90-mg, and 180-mg dose groups, respectively). The terminal half-life increased from 3.46 to 4.35 hours for the subcutaneous dose range from 45 to 180 mg. An inverse Gaussian density function-input model linked to a 2-compartment open distribution model with first-order elimination from the central compartment was appropriate to describe complex absorption and disposition kinetics of enfuvirtide plasma concentration-time data after subcutaneous administration to patients with HIV infection. Enfuvirtide was nearly completely absorbed from subcutaneous depot, and pharmacokinetic parameters were linear up to a dose of 180 mg in this study.

Semiempirical modeling of Ag nanoclusters: New parameters for optical property studies enable determination of double excitation contributions to plasmonic excitation

DOE PAGES

Gieseking, Rebecca L.; Ratner, Mark A.; Schatz, George C.

2016-06-03

Quantum mechanical studies of Ag nanoclusters have shown that plasmonic behavior can be modeled in terms of excited states where collectivity among single excitations leads to strong absorption. However, new computational approaches are needed to provide understanding of plasmonic excitations beyond the single-excitation level. We show that semiempirical INDO/CI approaches with appropriately selected parameters reproduce the TD-DFT optical spectra of various closed-shell Ag clusters. The plasmon-like states with strong optical absorption comprise linear combinations of many singly excited configurations that contribute additively to the transition dipole moment, whereas all other excited states show significant cancellation among the contributions to themore » transition dipole moment. The computational efficiency of this approach allows us to investigate the role of double excitations at the INDO/SDCI level. The Ag cluster ground states are stabilized by slight mixing with doubly excited configurations, but the plasmonic states generally retain largely singly excited character. The consideration of double excitations in all cases improves the agreement of the INDO/CI absorption spectra with TD-DFT, suggesting that the SDCI calculation effectively captures some of the ground-state correlation implicit in DFT. Furthermore, these results provide the first evidence to support the commonly used assumption that single excitations are in many cases sufficient to describe the optical spectra of plasmonic excitations quantum mechanically.« less

Absorption characteristics of epidural levobupivacaine with adrenaline and clonidine in children.

PubMed

Chalkiadis, George A; Abdullah, Farah; Bjorksten, Andrew R; Clarke, Alexander; Cortinez, Luis I; Udayasiri, Sonal; Anderson, Brian J

2013-01-01

To determine if the addition of adrenaline, clonidine, or their combination altered the pharmacokinetic profile of levobupivacaine administered via the caudal epidural route in children. Children aged <18 years old scheduled to undergo sub-umbilical surgery were administered caudal levobupivacaine plain 2.5 mg · ml(-1) or with adjuvants adrenaline 5 mcg · ml(-1) or clonidine 2 mcg · ml(-1) or their combination. Covariate analysis included weight and postnatal age (PNA). Time-concentration profile analysis was undertaken using nonlinear mixed effects models. A one-compartment linear disposition model with first-order input and first-order elimination was used to describe the data. The effect of either clonidine or adrenaline on absorption was investigated using a scaling parameter (Fabs(CLON), Fabs(ADR)) applied to the absorption half-life (Tabs). There were 240 children (median weight 11.0, range 1.9-56.1 kg; median postnatal age 16.7, range 0.6-167.6 months). Absorption of levobupivacaine was faster when mixed with clonidine (Fabs(CLON) 0.60; 95%CI 0.44, 0.83) but slower when mixed with adrenaline (Fabs(ADR) 2.12; 95%CI 1.45, 3.08). The addition of adrenaline to levobupivacaine resulted in a bifid absorption pattern. While initial absorption was unchanged (Tabs 0.15 h 95%CI 0.12, 0.18 h), there was a late absorption peak characterized by a Tabs(LATE) 2.34 h (95%CI 1.44, 4.97 h). The additional use of clonidine with adrenaline had minimal effect on the bifid absorption profile observed with adrenaline alone. Neither clonidine nor adrenaline had any effect on clearance. The population parameter estimate for volume of distribution was 157 l 70 kg(-1). Clearance was 6.5 l · h(-1) 70 kg(-1) at 1-month PNA and increased with a maturation half-time of 1.6 months to reach 90% of the mature value (18.5 l · h(-1) 70 kg(-1)) by 5 months PNA. The addition of adrenaline decreases the rate of levobupivacaine systemic absorption, reducing peak concentration by half. Levobupivacaine concentrations with adrenaline adjuvant were reduced compared to plain levobupivacaine for up to 3.5 hours. Clonidine as an adjuvant results in faster systemic absorption of levobupivacaine and similar concentration time profile to levobupivacaine alone. Adding adrenaline with clonidine does not alter the concentration profile observed with adrenaline alone. © 2012 Blackwell Publishing Ltd.

Determination of the quasi-TE mode (in-plane) graphene linear absorption coefficient via integration with silicon-on-insulator racetrack cavity resonators.

PubMed

Crowe, Iain F; Clark, Nicholas; Hussein, Siham; Towlson, Brian; Whittaker, Eric; Milosevic, Milan M; Gardes, Frederic Y; Mashanovich, Goran Z; Halsall, Matthew P; Vijayaraghaven, Aravind

2014-07-28

We examine the near-IR light-matter interaction for graphene integrated cavity ring resonators based on silicon-on-insulator (SOI) race-track waveguides. Fitting of the cavity resonances from quasi-TE mode transmission spectra reveal the real part of the effective refractive index for graphene, n(eff) = 2.23 ± 0.02 and linear absorption coefficient, α(gTE) = 0.11 ± 0.01dBμm(-1). The evanescent nature of the guided mode coupling to graphene at resonance depends strongly on the height of the graphene above the cavity, which places limits on the cavity length for optical sensing applications.

Optical Absorption in Liquid Semiconductors

NASA Astrophysics Data System (ADS)

Bell, Florian Gene

An infrared absorption cell has been developed which is suitable for high temperature liquids which have absorptions in the range .1-10('3) cm('-1). The cell is constructed by clamping a gasket between two flat optical windows. This unique design allows the use of any optical windows chemically compatible with the liquid. The long -wavelength limit of the measurements is therefore limited only by the choice of the optical windows. The thickness of the cell can easily be set during assembly, and can be varied from 50 (mu)m to .5 cm. Measurements of the optical absorption edge were performed on the liquid alloy Se(,1-x)Tl(,x) for x = 0, .001, .002, .003, .005, .007, and .009, from the melting point up to 475(DEGREES)C. The absorption was found to be exponential in the photon energy over the experimental range from 0.3 eV to 1.2 eV. The absorption increased linearly with concentration according to the empirical relation (alpha)(,T)(h(nu)) = (alpha)(,1) + (alpha)(,2)x, and the absorption (alpha)(,1) was interpreted as the absorption in the absence of T1. (alpha)(,1) also agreed with the measured absorption in 100% Se at corresponding temperatures and energies. The excess absorption defined by (DELTA)(alpha) = (alpha)(,T)(h(nu))-(alpha)(,1) was interpreted as the absorption associated with Tl and was found to be thermally activated with an activation energy E(,t) = 0.5 eV. The exponential edge is explained as absorption on atoms immersed in strong electric fields surrounding ions. The strong fields give rise to an absorption tail similar to the Franz-Keldysh effect. A simple calculation is performed which is based on the Dow-Redfield theory of absorption in an electric field with excitonic effects included. The excess absorption at low photon energies is proportional to the square of the concentration of ions, which are proposed to exist in the liquid according to the relation C(,i) (PROPORTIONAL) x(' 1/2)(.)e('-E)t('/kT), which is the origin of the thermal activation and the proportionality to Tl concentration. The ionic model satisfactorily explains the observed concentration and temperature dependence of the absorption. It also provides for the first time, a universal explanation of the exponential edge in liquid semiconductors where charged defects are present, and provides a means of measuring the concentration of ions when the absorption can be calibrated.

Micro-sampling method based on high-resolution continuum source graphite furnace atomic absorption spectrometry for calcium determination in blood and mitochondrial suspensions.

PubMed

Gómez-Nieto, Beatriz; Gismera, Mª Jesús; Sevilla, Mª Teresa; Satrústegui, Jorgina; Procopio, Jesús R

2017-08-01

A micro-sampling and straightforward method based on high resolution continuum source atomic absorption spectrometry (HR-CS AAS) was developed to determine extracellular and intracellular Ca in samples of interest in clinical and biomedical analysis. Solid sampling platforms were used to introduce the micro-samples into the graphite furnace atomizer. The secondary absorption line for Ca, located at 239.856nm, was selected to carry out the measurements. Experimental parameters such as pyrolysis and atomization temperatures and the amount of sample introduced for the measurements were optimized. Calibration was performed using aqueous standards and the approach to measure at the wings of the absorption lines was employed for the expansion of the linear response range. The limit of detection was of 0.02mgL -1 Ca (0.39ng Ca) and the upper limit of linear range was increased up to 8.0mgL -1 Ca (160ng Ca). The proposed method was used to determine Ca in mitochondrial suspensions and whole blood samples with successful results. Adequate recoveries (within 91-107%) were obtained in the tests performed for validation purposes. Copyright © 2017 Elsevier B.V. All rights reserved.

A computational analysis subject to thermophysical aspects of Sisko fluid flow over a cylindrical surface

NASA Astrophysics Data System (ADS)

Awais, M.; Khalil-Ur-Rehman; Malik, M. Y.; Hussain, Arif; Salahuddin, T.

2017-09-01

The present analysis is devoted to probing the salient features of the mixed convection and non-linear thermal radiation effects on non-Newtonian Sisko fluid flow over a linearly stretching cylindrical surface. Properties of heat transfer are outlined via variable thermal conductivity and convective boundary conditions. The boundary layer approach is implemented to construct the mathematical model in the form of partial differential equations. Then, the requisite PDEs are transmuted into a complex ordinary differential system by invoking appropriate dimensionless variables. Solution of subsequent ODEs is obtained by utilizing the Runge-Kutta algorithm (fifth order) along with the shooting scheme. The graphical illustrations are presented to interpret the features of the involved pertinent flow parameters on concerning profiles. For a better description of the fluid flow, numerical variations in local skin friction coefficient and local Nusselt number are scrutinized in tables. From thorough analysis, it is inferred that the mixed convection parameter and the curvature parameter increase the velocity while temperature shows a different behavior. Additionally, both momentum and thermal distribution of fluid flow decrease with increasing values of the non-linearity index. Furthermore, variable thermal parameter and heat generation/absorption parameter amplify the temperature significantly. The skin friction is an increasing function of all momentum controlling parameters. The local Nusselt number also shows a similar behavior against heat radiation parameter and variable thermal conductivity parameter while it shows a dual nature for the heat generation/absorption parameter. Finally, the obtained results are validated by comparison with the existing literature and hence the correctness of the analysis is proved.

Airborne Lidar Measurements of Atmospheric Pressure Made Using the Oxygen A-Band

NASA Technical Reports Server (NTRS)

Riris, Haris; Rodriquez, Michael; Allan, Graham R.; Hasselbrack, William E.; Stephen, Mark A.; Abshire, James B.

2011-01-01

We report on airborne measurements of atmospheric pressure using a fiber-laser based lidar operating in the oxygen A-band near 765 nm and the integrated path differential absorption measurement technique. Our lidar uses fiber optic technology and non-linear optics to generate tunable laser radiation at 765 nm, which overlaps an absorption line pair in the Oxygen A-band. We use a pulsed time resolved technique, which rapidly steps the laser wavelength across the absorption line pair, a 20 cm telescope and photon counting detector to measure Oxygen concentrations.

Linear polarimetry of AP stars. IV. The influence of deviations from a pure dipolar model.

NASA Astrophysics Data System (ADS)

Leroy, J. L.; Landolfi, M.; Landi Degl'Innocenti, M.; Landi Degl'Innocenti, E.; Bagnulo, S.; Laporte, P.

1995-09-01

In the previous papers of this series we have described a new observational program of broadband linear polarimetry aimed at Ap stars. At the same time, we have established a canonical model, based on the oblique rotator geometry, which describes successfully the main features of the observed polarization: in some cases the linear polarization data, combined with the classical circular polarization measurements, allow one to determine the characteristic parameters which define the oblique dipolar rotator. However, we have also observed polarization diagrams that depart clearly from those predicted by the canonical model, which means that it is not always possible to rely on a pure dipolar model (nor on a combination of a dipole plus a linear quadrupole parallel to the dipole). Although an interpretation of the polarization peculiarities in terms of magnetic `anomalies' (i.e. deviations from the dipolar configuration) is quite natural, one must also take into account the possible influence of local abundance inhomogeneities. Therefore, we have first studied the sensitivity of the polarized signal (which is known to be due to the differential saturation of Zeeman components in spectral lines) to a variation of the metallic absorption spectrum. Then we have examined how a local enhancement (or reduction) of the polarization produced by a dipolar magnetic field affects the Fourier spectrum of the observed polarization signal. Finally, we have designed an inversion program making possible the recovery - under certain restrictions - of the spatial modulations of the polarization generated by a dipole, which are necessary to explain `odd' polarimetric data. This program has been applied to the data gathered from three stars (49 Cam, β CrB, HD 71866). As far as the last star is concerned, none of the spatial modulations considered was able to reproduce the observations. On the contrary, good solutions are found for the other two. However, if one interprets the variations of the polarization as the result of abundance variations, which must correspond to a modulation of the absorption spectrum, a contradiction arises, especially for β CrB, because the observed spectral variability of these stars is too small to account for our computed maps. Therefore, non-canonical polarization diagrams must essentially be interpreted in terms of magnetic anomalies, not of abundance anomalies: in other words, the peculiarities of the polarization diagrams are likely to result mainly from departures of the magnetic configuration from the pure dipolar configuration.

Determining CDOM Absorption Spectra in Diverse Coastal Environments Using a Multiple Pathlength, Liquid Core Waveguide System. Measuring the Absorption of CDOM in the Field Using a Multiple Pathlength Liquid Waveguide System

NASA Technical Reports Server (NTRS)

Miller, Richard L.; Belz, Mathias; DelCastillo, Carlos; Trzaska, Rick

2000-01-01

We evaluated the accuracy, sensitivity and precision of a multiple pathlength, liquid core waveguide (MPLCW) system for measuring colored dissolved organic matter (CDOM) absorption in the UV-visible spectral range (370-700 nm). The MPLCW has four optical paths (2.0, 9.8, 49.3, and 204 cm) coupled to a single Teflon AF sample cell. Water samples were obtained from inland, coastal and ocean waters ranging in salinity from 0 to 36 PSU. Reference solutions for the MPLCW were made having a refractive index of the sample. CDOM absorption coefficients, a(sub CDOM), and the slope of the log-linearized absorption spectra, S, were compared with values obtained using a dual-beam spectrophotometer. Absorption of phenol red secondary standards measured by the MPLCW at 558 nm were highly correlated with spectrophotometer values (r > 0.99) and showed a linear response across all four pathlengths. Values of a(sub CDOM) measured using the MPLCW were virtually identical to spectrophotometer values over a wide range of concentrations. The dynamic range of a(sub CDOM) for MPLCW measurements was 0.002 - 231.5/m. At low CDOM concentrations (a(sub 370) < 0.1/m) spectrophotometric a(sub CDOM) were slightly greater than MPLCW values and showed larger fluctuations at longer wavelengths due to limitations in instrument precision. In contrast, MPLCW spectra followed an exponential to 600 nm for all samples. The maximum deviation in replicate MPLCW spectra was less than 0.001 absorbance units. The portability, sampling, and optical characteristics of a MPLCW system provide significant enhancements for routine CDOM absorption measurements in a broad range of natural waters.

Determining CDOM Absorption Spectra in Diverse Aquatic Environments Using a Multiple Pathlength, Liquid Core Waveguide System

NASA Technical Reports Server (NTRS)

Miller, Richard L.; Belz, Mathias; DelCastillo, Carlos; Trzaska, Rick

2001-01-01

We evaluated the accuracy, sensitivity and precision of a multiple pathlength, liquid core waveguide (MPLCW) system for measuring colored dissolved organic matter (CDOM) absorption in the UV-visible spectral range (370-700 nm). The MPLCW has four optical paths (2.0, 9.8, 49.3, and 204 cm) coupled to a single Teflon AF sample cell. Water samples were obtained from inland, coastal and ocean waters ranging in salinity from 0 to 36 PSU. Reference solutions for the MPLCW were made having a refractive index of the sample. CDOM absorption coefficients, aCDOM, and the slope of the log-linearized absorption spectra, S, were compared with values obtained using a dual-beam spectrophotometer. Absorption of phenol red secondary standards measured by the MPLCW at 558 nm were highly correlated with spectrophotometer values and showed a linear response across all four pathlengths. Values of aCDOM measured using the MPLCW were virtually identical to spectrophotometer values over a wide range of concentrations. The dynamic range of aCDOM for MPLCW measurements was 0.002 - 231.5 m-1. At low CDOM concentrations spectrophotometric aCDOM were slightly greater than MPLCW values and showed larger fluctuations at longer wavelengths due to limitations in instrument precision. In contrast, MPLCW spectra followed an exponential to 600 nm for all samples.

Abnormal gut integrity is associated with reduced linear growth in rural Malawian children

USDA-ARS?s Scientific Manuscript database

The aim of the present study was to investigate the relation of environmental enteropathy, as measured by the dual sugar absorption test, to linear growth faltering in 2- to 5-year-old Malawian children. Dietary quality, food insecurity, anthropometry, and site-specific sugar testing were measured i...

Genome-wide association analysis of seedling root development in maize (Zea mays L.).

PubMed

Pace, Jordon; Gardner, Candice; Romay, Cinta; Ganapathysubramanian, Baskar; Lübberstedt, Thomas

2015-02-05

Plants rely on the root system for anchorage to the ground and the acquisition and absorption of nutrients critical to sustaining productivity. A genome wide association analysis enables one to analyze allelic diversity of complex traits and identify superior alleles. 384 inbred lines from the Ames panel were genotyped with 681,257 single nucleotide polymorphism markers using Genotyping-by-Sequencing technology and 22 seedling root architecture traits were phenotyped. Utilizing both a general linear model and mixed linear model, a GWAS study was conducted identifying 268 marker trait associations (p ≤ 5.3×10(-7)). Analysis of significant SNP markers for multiple traits showed that several were located within gene models with some SNP markers localized within regions of previously identified root quantitative trait loci. Gene model GRMZM2G153722 located on chromosome 4 contained nine significant markers. This predicted gene is expressed in roots and shoots. This study identifies putatively associated SNP markers associated with root traits at the seedling stage. Some SNPs were located within or near (<1 kb) gene models. These gene models identify possible candidate genes involved in root development at the seedling stage. These and respective linked or functional markers could be targets for breeders for marker assisted selection of seedling root traits.

Effects of body size and gender on the population pharmacokinetics of artesunate and its active metabolite dihydroartemisinin in pediatric malaria patients.

PubMed

Morris, Carrie A; Tan, Beesan; Duparc, Stephan; Borghini-Fuhrer, Isabelle; Jung, Donald; Shin, Chang-Sik; Fleckenstein, Lawrence

2013-12-01

Despite the important role of the antimalarial artesunate and its active metabolite dihydroartemisinin (DHA) in malaria treatment efforts, there are limited data on the pharmacokinetics of these agents in pediatric patients. This study evaluated the effects of body size and gender on the pharmacokinetics of artesunate-DHA using data from pediatric and adult malaria patients. Nonlinear mixed-effects modeling was used to obtain a base model consisting of first-order artesunate absorption and one-compartment models for artesunate and for DHA. Various methods of incorporating effects of body size descriptors on clearance and volume parameters were tested. An allometric scaling model for weight and a linear body surface area (BSA) model were deemed optimal. The apparent clearance and volume of distribution of DHA obtained with the allometric scaling model, normalized to a 38-kg patient, were 63.5 liters/h and 65.1 liters, respectively. Estimates for the linear BSA model were similar. The 95% confidence intervals for the estimated gender effects on clearance and volume parameters for artesunate fell outside the predefined no-relevant-clinical-effect interval of 0.75 to 1.25. However, the effect of gender on apparent DHA clearance was almost entirely contained within this interval, suggesting a lack of an influence of gender on this parameter. Overall, the pharmacokinetics of artesunate and DHA following oral artesunate administration can be described for pediatric patients using either an allometric scaling or linear BSA model. Both models predict that, for a given artesunate dose in mg/kg of body weight, younger children are expected to have lower DHA exposure than older children or adults.

Radiative transfer modelling inside thermal protection system using hybrid homogenization method for a backward Monte Carlo method coupled with Mie theory

NASA Astrophysics Data System (ADS)

Le Foll, S.; André, F.; Delmas, A.; Bouilly, J. M.; Aspa, Y.

2012-06-01

A backward Monte Carlo method for modelling the spectral directional emittance of fibrous media has been developed. It uses Mie theory to calculate the radiative properties of single fibres, modelled as infinite cylinders, and the complex refractive index is computed by a Drude-Lorenz model for the dielectric function. The absorption and scattering coefficient are homogenised over several fibres, but the scattering phase function of a single one is used to determine the scattering direction of energy inside the medium. Sensitivity analysis based on several Monte Carlo results has been performed to estimate coefficients for a Multi-Linear Model (MLM) specifically developed for inverse analysis of experimental data. This model concurs with the Monte Carlo method and is highly computationally efficient. In contrast, the surface emissivity model, which assumes an opaque medium, shows poor agreement with the reference Monte Carlo calculations.

Characterization of Photon-Counting Detector Responsivity for Non-Linear Two-Photon Absorption Process

NASA Technical Reports Server (NTRS)

Sburlan, S. E.; Farr, W. H.

2011-01-01

Sub-band absorption at 1550 nm has been demonstrated and characterized on silicon Geiger mode detectors which normally would be expected to have no response at this wavelength. We compare responsivity measurements to singlephoton absorption for wavelengths slightly above the bandgap wavelength of silicon (approx. 1100 microns). One application for this low efficiency sub-band absorption is in deep space optical communication systems where it is desirable to track a 1030 nm uplink beacon on the same flight terminal detector array that monitors a 1550 nm downlink signal for pointingcontrol. The currently observed absorption at 1550 nm provides 60-70 dB of isolation compared to the response at 1064 nm, which is desirable to avoid saturation of the detector by scattered light from the downlink laser.

Two-photon absorption of soft X-ray free electron laser radiation by graphite near the carbon K-absorption edge

NASA Astrophysics Data System (ADS)

Lam, Royce K.; Raj, Sumana L.; Pascal, Tod A.; Pemmaraju, C. D.; Foglia, Laura; Simoncig, Alberto; Fabris, Nicola; Miotti, Paolo; Hull, Christopher J.; Rizzuto, Anthony M.; Smith, Jacob W.; Mincigrucci, Riccardo; Masciovecchio, Claudio; Gessini, Alessandro; De Ninno, Giovanni; Diviacco, Bruno; Roussel, Eleonore; Spampinati, Simone; Penco, Giuseppe; Di Mitri, Simone; Trovò, Mauro; Danailov, Miltcho B.; Christensen, Steven T.; Sokaras, Dimosthenis; Weng, Tsu-Chien; Coreno, Marcello; Poletto, Luca; Drisdell, Walter S.; Prendergast, David; Giannessi, Luca; Principi, Emiliano; Nordlund, Dennis; Saykally, Richard J.; Schwartz, Craig P.

2018-07-01

We have examined the transmission of soft X-ray pulses from the FERMI free electron laser through carbon films of varying thickness, quantifying nonlinear effects of pulses above and below the carbon K-edge. At typical of soft X-ray free electron laser intensities, pulses exhibit linear absorption at photon energies above and below the K-edge, ∼308 and ∼260 eV, respectively; whereas two-photon absorption becomes significant slightly below the K-edge, ∼284.2 eV. The measured two-photon absorption cross section at 284.18 eV (∼6 × 10-48 cm4 s) is 7 orders of magnitude above what is expected from a simple theory based on hydrogen-like atoms - a result of resonance effects.

Effects of intermolecular interactions on absorption intensities of the fundamental and the first, second, and third overtones of OH stretching vibrations of methanol and t-butanol‑d9 in n-hexane studied by visible/near-infrared/infrared spectroscopy.

PubMed

Morisawa, Yusuke; Suga, Arisa

2018-05-15

Visible (Vis), near-infrared (NIR) and IR spectra in the 15,600-2500cm -1 region were measured for methanol, methanol-d 3 , and t-butanol-d 9 in n-hexane to investigate effects of intermolecular interaction on absorption intensities of the fundamental and the first, second, and third overtones of their OH stretching vibrations. The relative area intensities of OH stretching bands of free and hydrogen-bonded species were plotted versus the vibrational quantum number using logarithm plots (V=1-4) for 0.5M methanol, 0.5M methanol‑d 3 , and 0.5M t-butanol-d 9 in n-hexane. In the logarithm plots the relative intensities of free species yield a linear dependence irrespective of the solutes while those of hydrogen-bonded species deviate significantly from the linearity. The observed results suggest that the modifications in dipole moment functions of the OH bond induced by the formation of the hydrogen bondings change transient dipole moment, leading to the deviations of the dependences of relative absorption intensities on the vibrational quantum number from the linearity. Copyright © 2017 Elsevier B.V. All rights reserved.

Effects of intermolecular interactions on absorption intensities of the fundamental and the first, second, and third overtones of OH stretching vibrations of methanol and t-butanol‑d9 in n-hexane studied by visible/near-infrared/infrared spectroscopy

NASA Astrophysics Data System (ADS)

Morisawa, Yusuke; Suga, Arisa

2018-05-01

Visible (Vis), near-infrared (NIR) and IR spectra in the 15,600-2500 cm- 1 region were measured for methanol, methanol-d3, and t-butanol-d9 in n-hexane to investigate effects of intermolecular interaction on absorption intensities of the fundamental and the first, second, and third overtones of their OH stretching vibrations. The relative area intensities of OH stretching bands of free and hydrogen-bonded species were plotted versus the vibrational quantum number using logarithm plots (V = 1-4) for 0.5 M methanol, 0.5 M methanol‑d3, and 0.5 M t-butanol-d9 in n-hexane. In the logarithm plots the relative intensities of free species yield a linear dependence irrespective of the solutes while those of hydrogen-bonded species deviate significantly from the linearity. The observed results suggest that the modifications in dipole moment functions of the OH bond induced by the formation of the hydrogen bondings change transient dipole moment, leading to the deviations of the dependences of relative absorption intensities on the vibrational quantum number from the linearity.

Tensile properties and water absorption assessment of linear low-Density Polyethylene/Poly (Vinyl Alcohol)/Kenaf composites: effect of eco-friendly coupling agent

NASA Astrophysics Data System (ADS)

Pang, A. L.; Ismail, H.; Abu Bakar, A.

2018-02-01

Linear low-density polyethylene (LLDPE)/poly (vinyl alcohol) (PVOH) filled with untreated kenaf (UT-KNF) and eco-friendly coupling agent (ECA)-treated kenaf (ECAT-KNF) were prepared using ThermoHaake internal mixer, respectively. Filler loadings of UT-KNF and ECAT-KNF used in this study are 10 and 40 parts per hundred parts of resin (phr). The effect of ECA on tensile properties and water absorption of LLDPE/PVOH/KNF composites were investigated. Field emission scanning electron microscopy (FESEM) analysis was applied to visualize filler-matrix adhesion. The results indicate LLDPE/PVOH/ECAT-KNF composites possess higher tensile strength and tensile modulus, but lower elongation at break compared to LLDPE/PVOH/UT-KNF composites. The morphological studies of tensile fractured surfaces using FESEM support the increment in tensile properties of LLDPE/PVOH/ECAT-KNF composites. Nevertheless, LLDPE/PVOH/UT-KNF composites reveal higher water absorption compared to LLDPE/PVOH/ECAT-KNF composites.

Linear and Nonlinear Optical Properties of Spherical Quantum Dots: Effects of Hydrogenic Impurity and Conduction Band Non-Parabolicity

NASA Astrophysics Data System (ADS)

Rezaei, G.; Vaseghi, B.; Doostimotlagh, N. A.

2012-03-01

Simultaneous effects of an on-center hydrogenic impurity and band edge non-parabolicity on intersubband optical absorption coefficients and refractive index changes of a typical GaAs/AlxGa1-x As spherical quantum dot are theoretically investigated, using the Luttinger—Kohn effective mass equation. So, electronic structure and optical properties of the system are studied by means of the matrix diagonalization technique and compact density matrix approach, respectively. Finally, effects of an impurity, band edge non-parabolicity, incident light intensity and the dot size on the linear, the third-order nonlinear and the total optical absorption coefficients and refractive index changes are investigated. Our results indicate that, the magnitudes of these optical quantities increase and their peaks shift to higher energies as the influences of the impurity and the band edge non-parabolicity are considered. Moreover, incident light intensity and the dot size have considerable effects on the optical absorption coefficients and refractive index changes.

Polarization-dependent two-photon absorption for the determination of protein secondary structure: A theoretical study

NASA Astrophysics Data System (ADS)

Wanapun, Duangporn; Wampler, Ronald D.; Begue, Nathan J.; Simpson, Garth J.

2008-03-01

A new method for sensitive determination of protein secondary structure via multi-photon absorption is considered theoretically. Perturbation theory is developed to describe the polarization-dependent two-photon absorption (TPA) of α-helix and β-sheet protein secondary structures. The exciton coupling interactions responsible for relatively weak electronic circular dichroism in one-photon absorption are predicted to give rise to large changes in the TPA cross-section (>200%) for circular versus linear incident polarizations, defined as CLD. The CLD effect in TPA is electric dipole-allowed, which explains the much greater sensitivity. These predictions suggest TPA should be a viable means of sensitively probing protein secondary structure.

Bottom Extreme-Ultraviolet-Sensitive Coating for Evaluation of the Absorption Coefficient of Ultrathin Film

NASA Astrophysics Data System (ADS)

Hijikata, Hayato; Kozawa, Takahiro; Tagawa, Seiichi; Takei, Satoshi

2009-06-01

A bottom extreme-ultraviolet-sensitive coating (BESC) for evaluation of the absorption coefficients of ultrathin films such as extreme ultraviolet (EUV) resists was developed. This coating consists of a polymer, crosslinker, acid generator, and acid-responsive chromic dye and is formed by a conventional spin-coating method. By heating the film after spin-coating, a crosslinking reaction is induced and the coating becomes insoluble. A typical resist solution can be spin-coated on a substrate covered with the coating film. The evaluation of the linear absorption coefficients of polymer films was demonstrated by measuring the EUV absorption of BESC substrates on which various polymers were spin-coated.

Pharmacokinetic studies of active triterpenoid saponins and the total secondary saponin from Anemone raddeana Regel.

PubMed

Zhang, Dandan; Lei, Tianli; Lv, Chongning; Zhao, Huimin; Xu, Haiyan; Lu, Jincai

2017-02-15

The rhizome of Anemone raddeana Regel, a Traditional Chinese Medicine (TCM) which has a robust history treating rheumatism and neuralgia. The total secondary saponin (TSS) from it has demonstrated antitumor activity. In this study, a rapid and validated LC-MS/MS method was developed to simultaneously determine the active compounds (Hederacolchiside A1 and Eleutheroside K). Analytes were separated on a reverse-phase C18 column with acetonitrile-water (5mmol/L ammonium acetate) as the mobile phase. This assay showed acceptable linearity (r>0.99) over the concentration range 5-1000 nmol/L for two analytes. The intra- and inter-day precision was within 8.06% and accuracy was ranged from -3.16% to 3.34% for two analytes. The mean extraction recoveries of analytes and IS from rat plasma were all more than 76.0%. Under the developed analytical conditions, the obtained values of main pharmacokinetic parameters (C max and AUC 0-t ) indicated that the pure compounds were more efficient than the TSS extract in Hederacolchiside A1 and Eleutheroside K absorption. In addition, pharmacokinetic studies of two individual compounds demonstrated their poor oral absorption in rat ( a F%, 0.019-1.521). In the study of absorption and transportation of Hederacolchiside A1 and Eleutheroside K in Caco-2 cell monolayer model, the uptake permeability was in 10 -6 cm/sec range suggesting poor absorption, which confirmed the previous pharmacokinetic profiles in vivo. Interestingly, the uptake ratio of them declined significantly when treated with phloridzin (SGLT1 inhibitor). It indicated that the absorption of Hederacolchiside A1 in intestine was mainly through positive transport and SGLT1 might participate in its active absorption. Copyright © 2017 Elsevier B.V. All rights reserved.

Mapping Surface Water DOC in the Northern Gulf of Mexico Using CDOM Absorption Coefficients and Remote Sensing Imagery

NASA Astrophysics Data System (ADS)

Kelly, B.; Chelsky, A.; Bulygina, E.; Roberts, B. J.

2017-12-01

Remote sensing techniques have become valuable tools to researchers, providing the capability to measure and visualize important parameters without the need for time or resource intensive sampling trips. Relationships between dissolved organic carbon (DOC), colored dissolved organic matter (CDOM) and spectral data have been used to remotely sense DOC concentrations in riverine systems, however, this approach has not been applied to the northern Gulf of Mexico (GoM) and needs to be tested to determine how accurate these relationships are in riverine-dominated shelf systems. In April, July, and October 2017 we sampled surface water from 80+ sites over an area of 100,000 km2 along the Louisiana-Texas shelf in the northern GoM. DOC concentrations were measured on filtered water samples using a Shimadzu TOC-VCSH analyzer using standard techniques. Additionally, DOC concentrations were estimated from CDOM absorption coefficients of filtered water samples on a UV-Vis spectrophotometer using a modification of the methods of Fichot and Benner (2011). These values were regressed against Landsat visible band spectral data for those same locations to establish a relationship between the spectral data, CDOM absorption coefficients. This allowed us to spatially map CDOM absorption coefficients in the Gulf of Mexico using the Landsat spectral data in GIS. We then used a multiple linear regressions model to derive DOC concentrations from the CDOM absorption coefficients and applied those to our map. This study provides an evaluation of the viability of scaling up CDOM absorption coefficient and remote-sensing derived estimates of DOC concentrations to the scale of the LA-TX shelf ecosystem.

Accounting for the decrease of photosystem photochemical efficiency with increasing irradiance to estimate quantum yield of leaf photosynthesis.

PubMed

Yin, Xinyou; Belay, Daniel W; van der Putten, Peter E L; Struik, Paul C

2014-12-01

Maximum quantum yield for leaf CO2 assimilation under limiting light conditions (Φ CO2LL) is commonly estimated as the slope of the linear regression of net photosynthetic rate against absorbed irradiance over a range of low-irradiance conditions. Methodological errors associated with this estimation have often been attributed either to light absorptance by non-photosynthetic pigments or to some data points being beyond the linear range of the irradiance response, both causing an underestimation of Φ CO2LL. We demonstrate here that a decrease in photosystem (PS) photochemical efficiency with increasing irradiance, even at very low levels, is another source of error that causes a systematic underestimation of Φ CO2LL. A model method accounting for this error was developed, and was used to estimate Φ CO2LL from simultaneous measurements of gas exchange and chlorophyll fluorescence on leaves using various combinations of species, CO2, O2, or leaf temperature levels. The conventional linear regression method under-estimated Φ CO2LL by ca. 10-15%. Differences in the estimated Φ CO2LL among measurement conditions were generally accounted for by different levels of photorespiration as described by the Farquhar-von Caemmerer-Berry model. However, our data revealed that the temperature dependence of PSII photochemical efficiency under low light was an additional factor that should be accounted for in the model.

Measurement of the dependence of the light yields of linear alkylbenzene-based and EJ-301 scintillators on electron energy

NASA Astrophysics Data System (ADS)

Wan Chan Tseung, H.; Kaspar, J.; Tolich, N.

2011-10-01

An experimental test of the electron energy scale linearities of SNO+ and EJ-301 scintillators was carried out using a Compton spectrometer with electrons in the energy range 0.09-3 MeV. The linearity of the apparatus was explicitly demonstrated. It was found that the response of both types of scintillators with respect to electrons becomes non-linear below ˜0.4 MeV. An explanation is given in terms of Cherenkov light absorption and re-emission by the scintillators.

In vitro and in vivo evaluation of drug-drug interaction between dabigatran and proton pump inhibitors.

PubMed

Ollier, Edouard; Hodin, Sophie; Basset, Thierry; Accassat, Sandrine; Bertoletti, Laurent; Mismetti, Patrick; Delavenne, Xavier

2015-12-01

To quantify the drug-drug interactions between dabigatran etexilate (DE) and proton pump inhibitors (PPI) and in particular the role of P-gp activity modulation. In the first part of the study, efflux ratios of DE were evaluated using the caco-2 cell line in the presence of pantoprazole, omeprazole, rabeprazole, lansoprazole and ciclosporin A (positive control). The two PPI that reduced the efflux ratio of dabigatran to the greatest and least extent, respectively, were used during the second part of the study, comprising a single-centre, randomised, open-label study with an incomplete Latin square design. Nine healthy volunteers received DE (150 mg) alone, DE (150 mg) with the first PPI and DE (150 mg) with the second PPI in randomised sequence. Dabigatran plasma concentration and thrombin time were measured in blood samples withdrawn at 11 time points after each treatment. Models were built using a nonlinear mixed-effect modelling approach. Omeprazole and rabeprazole were the two PPI that reduced the efflux ratio of DE least and most, respectively. The PK model was based on an inverse Gaussian absorption process with one compartment. The relationship between dabigatran concentration and thrombin time was considered linear. Some PK profiles had dramatically low concentration values due to poor absorption. These profiles were clustered using a between subject model mixture with interoccasion variability. The concomitant administration of PPI did not significantly change dabigatran pharmacokinetics. DE is subject to high absorption variability, precluding evaluation of the effect of PPI on its pharmacokinetics. © 2015 Société Française de Pharmacologie et de Thérapeutique.

Light absorption properties of CDOM in the Changjiang (Yangtze) estuarine and coastal waters: An alternative approach for DOC estimation

NASA Astrophysics Data System (ADS)

Yu, Xiaolong; Shen, Fang; Liu, Yangyang

2016-11-01

Field measurements of CDOM absorption properties and DOC concentrations were collected in the Changjiang estuarine and coastal waters from 2011 to 2013. CDOM absorption coefficient at 355 nm (ag (355)) was found to be inversely correlated with salinity, with Pearson's coefficients r of -0.901 and -0.826 for summer and winter observations, respectively. Analysis results of the relationships between salinity and CDOM optical properties (i.e., absorption coefficient and spectral slope) suggested that terrigenous inputs dominated CDOM sources in the Changjiang estuary, but the proportion of terrigenous CDOM declined with increasing salinity. The level of CDOM in the Changjiang estuary was lower compared to some of the major estuaries in the world, which could be attributed to several controlling factors such as vegetation cover in the drainage basin, the origin of recharged streams and high sediment load in the Changjiang estuary. We further evaluated the relationships between CDOM and DOC and their mixing behavior among world's major estuaries. An empirical model was finally developed to estimate DOC concentration from ag (355) and spectral slope S275-295 using a non-linear regression. This empirical relationship was calibrated using the Cal dataset, and was validated with the Val dataset, resulting in an acceptable error with the R2 of 0.746, the RMSE of 20.99 μmol/L and the rMAD of 14.46%.

Optical absorption of zigzag single walled boron nitride nanotubes

NASA Astrophysics Data System (ADS)

Moradian, Rostam; Chegel, Raad; Behzad, Somayeh

2010-11-01

In a realistic three-dimensional model, optical matrix element and linear optical absorption of zigzag single walled boron nitride nanotubes (BNNTs) in the tight binding approximation are studied. In terms of absolute value of dipole matrix elements of the first three direct transitions at kz=0, we divided the zigzag BNNTs into three groups and investigated their optical absorption spectrum in energy ranges E<5, 77.5 eV. We found that in lower energies, E<5 eV, all groups show different behaviors while in the higher energies, 77.5 eV, their behaviors depend on their even or odd nanotube index. We also found that in the energy range 7

Spatial effects in intrinsic optical bistability

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

Haus, J.W.; Wang, L.; Scalora, M.

Using the nonlinear oscillator model as a prototype medium exhibiting intrinsic optical bistability, we investigate the inhomogeneous absorption of the electromagnetic field. The forward- and backward-field amplitudes and diffraction effects are retained in the mathematical description. Analytic results are given in the limit of plane-wave propagation under steady-state conditions. The transmitted and reflected intensity exhibit a structure that is determined by the spatial inhomogeneity of the absorption in the longitudinal direction. The transmitted intensity has a structure that is dependent on the length of the medium. The reflected intensity has an interference structure from light reflected at the front surfacemore » and the internal boundary separating a high-polarization from a low-polarization branch. A degenerate-four-wave-mixing experiment is predicted to be a very sensitive probe of the internal boundary and the interference between the forward and backward field. The phase-conjugate signal develops large oscillations as the input field is varied. Numerical results for diffraction effects are also given, and we find that the plane-wave results for the center of the beam remain reliable down to Fresnel numbers of order unity and in media that are smaller than the linear absorption length.« less

Working towards accreditation by the International Standards Organization 15189 Standard: how to validate an in-house developed method an example of lead determination in whole blood by electrothermal atomic absorption spectrometry.

PubMed

Garcia Hejl, Carine; Ramirez, Jose Manuel; Vest, Philippe; Chianea, Denis; Renard, Christophe

2014-09-01

Laboratories working towards accreditation by the International Standards Organization (ISO) 15189 standard are required to demonstrate the validity of their analytical methods. The different guidelines set by various accreditation organizations make it difficult to provide objective evidence that an in-house method is fit for the intended purpose. Besides, the required performance characteristics tests and acceptance criteria are not always detailed. The laboratory must choose the most suitable validation protocol and set the acceptance criteria. Therefore, we propose a validation protocol to evaluate the performance of an in-house method. As an example, we validated the process for the detection and quantification of lead in whole blood by electrothermal absorption spectrometry. The fundamental parameters tested were, selectivity, calibration model, precision, accuracy (and uncertainty of measurement), contamination, stability of the sample, reference interval, and analytical interference. We have developed a protocol that has been applied successfully to quantify lead in whole blood by electrothermal atomic absorption spectrometry (ETAAS). In particular, our method is selective, linear, accurate, and precise, making it suitable for use in routine diagnostics.

Intensity dependence narrowing of electromagnetically induced absorption in a Doppler-broadened medium

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

Dimitrijevic, J.; Arsenovic, D.; Jelenkovic, B. M.

In this paper, we present a theoretical model for studying the interaction between linearly polarized laser light and near-degenerated Zeeman sublevels for a multiple V-type atomic system of {sup 2}S{sub 1/2}F{sub g}=2{yields}{sup 2}P{sub 3/2}F{sub e}=3 transition in {sup 87}Rb. We have calculated the laser absorption in a Hanle configuration, as well as the amplitudes and the widths of electromagnetically induced absorption (EIA) in the range of laser intensities from 0.01 to 40 mW/cm{sup 2}. Our results, showing nonvanishing EIA amplitude, a nonmonotonic increase of the EIA width for the increase of laser intensity, and pronounced shape differences of the Hanlemore » EIA curves at different laser intensities, are in good agreement with recent experimental results. We have found that the EIA behaves differently than the electromagnetically induced transparency (EIT) as a function of the laser intensity. Both the amplitude and width of the EIA have narrow maximums at 1 to 2 mW/cm{sup 2}. We have shown the strong influence of Doppler broadening of atomic transition on Hanle resonances and have suggested the explanation of it.« less

Cooperative enhancement of the nonlinear optical response in conjugated energetic materials: A TD-DFT study

DOE PAGES

Sifain, Andrew E.; Tadesse, Loza F.; Bjorgaard, Josiah August; ...

2017-03-21

Conjugated energetic molecules (CEMs) are a class of explosives with high nitrogen content that posses both enhanced safety and energetic performance properties and are ideal for direct optical initiation. As isolated molecules, they absorb within the range of conventional lasers. Crystalline CEMs are used in practice, however, and their properties can differ due to intermolecular interaction. Herein, time-dependent density functional theory was used to investigate one-photon absorption (OPA) and two-photon absorption (TPA) of monomers and dimers obtained from experimentally determined crystal structures of CEMs. OPA scales linearly with the number of chromophore units, while TPA scales nonlinearly, where a moremore » than 3-fold enhancement in peak intensity, per chromophore unit, is calculated. Cooperative enhancement depends on electronic delocalization spanning both chromophore units. An increase in sensitivity to nonlinear laser initiation makes these materials suitable for practical use. This is the first study predicting a cooperative enhancement of the nonlinear optical response in energetic materials composed of relatively small molecules. Finally, the proposed model quantum chemistry is validated by comparison to crystal structure geometries and the optical absorption of these materials dissolved in solution.« less

Temperature dependence of the Urbach optical absorption edge: A theory of multiple phonon absorption and emission sidebands

NASA Astrophysics Data System (ADS)

Grein, C. H.; John, Sajeev

1989-01-01

The optical absorption coefficient for subgap electronic transitions in crystalline and disordered semiconductors is calculated by first-principles means with use of a variational principle based on the Feynman path-integral representation of the transition amplitude. This incorporates the synergetic interplay of static disorder and the nonadiabatic quantum dynamics of the coupled electron-phonon system. Over photon-energy ranges of experimental interest, this method predicts accurate linear exponential Urbach behavior of the absorption coefficient. At finite temperatures the nonlinear electron-phonon interaction gives rise to multiple phonon emission and absorption sidebands which accompany the optically induced electronic transition. These sidebands dominate the absorption in the Urbach regime and account for the temperature dependence of the Urbach slope and energy gap. The physical picture which emerges is that the phonons absorbed from the heat bath are then reemitted into a dynamical polaronlike potential well which localizes the electron. At zero temperature we recover the usual polaron theory. At high temperatures the calculated tail is qualitatively similar to that of a static Gaussian random potential. This leads to a linear relationship between the Urbach slope and the downshift of the extrapolated continuum band edge as well as a temperature-independent Urbach focus. At very low temperatures, deviations from these rules are predicted arising from the true quantum dynamics of the lattice. Excellent agreement is found with experimental data on c-Si, a-Si:H, a-As2Se3, and a-As2S3. Results are compared with a simple physical argument based on the most-probable-potential-well method.

Investigating a physical basis for spectroscopic estimates of leaf nitrogen concentration

USGS Publications Warehouse

Kokaly, R.F.

2001-01-01

The reflectance spectra of dried and ground plant foliage are examined for changes directly due to increasing nitrogen concentration. A broadening of the 2.1-??m absorption feature is observed as nitrogen concentration increases. The broadening is shown to arise from two absorptions at 2.054 ??m and 2.172 ??m. The wavelength positions of these absorptions coincide with the absorption characteristics of the nitrogen-containing amide bonds in proteins. The observed presence of these absorption features in the reflectance spectra of dried foliage is suggested to form a physical basis for high correlations established by stepwise multiple linear regression techniques between the reflectance of dry plant samples and their nitrogen concentration. The consistent change in the 2.1-??m absorption feature as nitrogen increases and the offset position of protein absorptions compared to those of other plant components together indicate that a generally applicable algorithm may be developed for spectroscopic estimates of nitrogen concentration from the reflectance spectra of dried plant foliage samples. ?? 2001 Published by Elsevier Science Ireland Ltd.

Nonlinear absorption in single LaF3 and MgF2 layers at 193 nm measured by surface sensitive laser induced deflection technique

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

Muehlig, Christian; Bublitz, Simon; Kufert, Siegfried

2009-12-10

We report nonlinear absorption data of LaF3 and MgF2 single layers at 193 nm. A highly surface sensitive measurement strategy of the laser induced deflection technique is introduced and applied to measure the absorption of highly transparent thin films independently of the substrate absorption. Linear absorptions k=({alpha}x{lambda})/4{pi} of 2x10{sup -4} and 8.5x10{sup -4} (LaF3) and 1.8x10{sup -4} and 6.9x10{sup -4} (MgF2) are found. Measured two photon absorption (TPA) coefficients are {beta}=1x10{sup -4} cm/W (LaF3), 1.8x10{sup -5}, and 5.8x10{sup -5} cm/W (MgF2). The TPA coefficients are several orders of magnitude higher than typical values for fluoride single crystals, which is likelymore » to result from sequential two step absorption processes.« less

Synthesis, linear and nonlinear optical properties of phosphonato-substituted bithiophenes derived from 2,2'-biphenol.

PubMed

Freeman, Jason L; Zhao, Qun; Zhang, Yuanli; Wang, Jianwei; Lawson, Christopher M; Gray, Gary M

2013-10-21

Two new series of phosphonato-substituted bithiophenes, BpP(X)(C4H2S)2H and BpP(X)(C4H2S)2P(X)Bp (Bp = 2,2'-C12H8O2, X = O, S, Se), have been synthesized and characterized using linear absorption and emission spectra, and third-order nonlinear absorption measurements at 430 nm with 27 ps laser pulses. The compounds were synthesized in three steps: (1) reacting lithiated bithiophene with (Et2N)2PCl; (2) reacting the product from the first step with biphenol; and (3) reacting the product from the second step with the appropriate chalcogen. The X-ray crystal structures of two of the compounds, BpP(O)(C4H2S)2P(O)Bp and BpP(Se)(C4H2S)2P(Se)Bp, are reported and show a number of intermolecular π-π interactions. The linear absorption spectra, emission spectra, and emission quantum yields show distinct trends with respect to the chalcogen and the number of phosphorus substituents attached to the 2,2'-bithiophene ring. The compounds show emission maxima at wavelengths ranging from 380-400 nm and, BpP(S)(C4H2S)2H shows a 23-fold increase in fluorescence quantum yield relative to that of 2,2'-bithiophene. Fluorescence lifetimes and radiative and non-radiative decay rate constants for the first singlet excited state have been extracted from the quantum yields using time-dependent DFT calculations. Nonlinear transmission measurements indicate that all of the compounds show nonlinear absorption at 430 nm with 27 ps laser pulses in spite of their low solubilities. Notably, the nonlinear absorption threshold of a 0.16 mol L(-1) CH2Cl2 solution of BpP(Se)(C4H2S)2H is 0.9 J cm(-2). The excellent emission quantum yields and good nonlinear absorptions make these compounds promising candidates for optical power limiting applications and as host materials for violet-blue organic light emitting diodes.

Functional pitch of a liver: fatty liver disease diagnosis with photoacoustic spectrum analysis

NASA Astrophysics Data System (ADS)

Xu, Guan; Meng, Zhuoxian; Lin, Jiandie; Carson, Paul; Wang, Xueding

2014-03-01

To provide more information for classification and assessment of biological tissues, photoacoustic spectrum analysis (PASA) moves beyond the quantification of the intensities of the photoacoustic (PA) signals by the use of the frequency-domain power distribution, namely power spectrum, of broadband PA signals. The method of PASA quantifies the linear-fit to the power spectrum of the PA signals from a biological tissue with 3 parameters, including intercept, midband-fit and slope. Intercept and midband-fit reflect the total optical absorption of the tissues whereas slope reflects the heterogeneity of the tissue structure. Taking advantage of the optical absorption contrasts contributed by lipid and blood at 1200 and 532 nm, respectively and the heterogeneous tissue microstructure in fatty liver due to the lipid infiltration, we investigate the capability of PASA in identifying histological changes of fatty livers in mouse model. 6 and 9 pairs of normal and fatty liver tissues from rat models were examined by ex vivo experiment with a conventional rotational PA measurement system. One pair of rat models with normal and fatty livers was examined non-invasively and in situ with our recently developed ultrasound and PA parallel imaging system. The results support our hypotheses that the spectrum analysis of PA signals can provide quantitative measures of the differences between the normal and fatty liver tissues and that part of the PA power spectrum can suffice for characterization of microstructures in biological tissues. Experimental results also indicate that the vibrational absorption peak of lipid at 1200nm could facilitate fatty liver diagnosis.

How to assess good candidate molecules for self-activated optical power limiting

NASA Astrophysics Data System (ADS)

Lundén, Hampus; Glimsdal, Eirik; Lindgren, Mikael; Lopes, Cesar

2018-03-01

Reverse saturable absorbers have shown great potential to attenuate laser radiation. Good candidate molecules and various particles have successfully been incorporated into different glass matrices, enabling the creation of self-activated filters against damaging laser radiation. Although the performance of such filters has been impressive, work is still ongoing to improve the performance in a wider range of wavelengths and pulse widths. The purpose of this tutorial is, from an optical engineering perspective, to give an understanding of the strengths and weaknesses of this class of smart materials, how relevant photophysical parameters are measured and influence system performance and comment on the pitfalls in experimental evaluation of materials. A numerical population model in combination with simple physical formulas is used to demonstrate system behavior from a performance standpoint. Geometrical reasoning shows the advantage of reverse saturable absorption over nonlinear scattering due to a fraction of scattered light being recollected by imaging system optics. The numerical population model illustrates the importance of the optical power limiting performance during the leading edge of a nanosecond pulse, which is most strongly influenced by changes in the two-photon absorption cross section and the triplet linear absorption cross section for a modeled Pt-acetylide. This tutorial not only targets optical engineers evaluating reverse saturable absorbing materials but also aims to assist researchers with a chemistry background working on optical power limiting materials. We also present photophysical data for a series of coumarins that can be useful for the determination of quantum yields and two-photon cross sections and show examples of characterization of molecules with excited triplet states.

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.

Population pharmacokinetic modeling of furosemide in patients with hypertension and fluid overload conditions.

PubMed

Kodati, Devender; Yellu, Narsimhareddy

2017-06-01

Furosemide is a loop diuretic drug frequently indicated in hypertension and fluid overload conditions such as congestive heart failure and hepatic cirrhosis. The purpose of the study was to establish a population pharmacokinetic model for furosemide in Indian hypertensive and fluid overload patients, and to evaluate effects of covariates on the volume of distribution (V/F) and oral clearance (CL/F) of furosemide. A total of 188 furosemide plasma sample concentrations from 63 patients with hypertension or fluid overload conditions were collected in this study. The population pharmacokinetic model for furosemide was built using Phoenix NLME 1.3 software. The covariates included age, sex, body surface area, bodyweight, height and creatinine clearance (CRCL). The pharmacokinetic data of furosemide was adequately explained by a two-compartment linear pharmacokinetic model with first-order absorption and an absorption lag-time. The mean values of CL/F and Vd/F of furosemide in the patients were 15.054Lh -1 and 4.419L, respectively. Analysis of covariates showed that CRCL was significantly influencing the clearance of furosemide. The final population pharmacokinetic model was demonstrated to be appropriate and effective and it can be used to assess the pharmacokinetic parameters of furosemide in Indian patients with hypertension and fluid overload conditions. Copyright © 2017. Published by Elsevier Urban & Partner Sp. z o.o.

Population pharmacokinetics of hydroxyurea for children and adolescents with sickle cell disease.

PubMed

Wiczling, Paweł; Liem, Robert I; Panepinto, Julie A; Garg, Uttam; Abdel-Rahman, Susan M; Kearns, Gregory L; Neville, Kathleen A

2014-09-01

The objective of this study was to develop a population pharmacokinetic (PK) model sufficient to describe hydroxyurea (HU) concentrations in serum and urine following oral drug administration in pediatric patients with sickle cell disease. Additionally, the measured hydroxyurea concentrations for particular sampling time were correlated with exposure measures (AUC) to find the most predictive relationship. Hydroxyurea concentrations were determined in 21 subjects. Using a population nonlinear mixed-effect modeling, the HU PK was best described by a one-compartment model with two elimination pathways (metabolic and renal) and a transit compartment absorption. The typical mean absorption time was 0.222 hour. The typical apparent volume of distribution was 21.8 L and the apparent systemic clearance was 6.88 L/h for an average weight patient of 30.7 kg. The 50% of the HU dose was renally excreted. Linear correlations were apparent between the plasma HU concentration at 1, 1.5, 2, 4, and 6 hours post-dose and AUC with the most significant (R(2)  = 0.71) observed at 1.5 hours. A population PK model was successful in describing HU disposition in plasma and urine. Data from the model also demonstrated that HU plasma concentrations at 1.5 hours after an oral dose of the drug were highly predictive of systemic drug exposure. © 2014, The American College of Clinical Pharmacology.

Modeling the contributions of phytoplankton and non-algal particles to spectral scattering properties in near-shore and lagoon waters

NASA Astrophysics Data System (ADS)

Vadakke-Chanat, Sayoob; Shanmugam, Palanisamy

2017-03-01

Particular attention was focused on modeling the spectral scattering properties of phytoplankton (bph(λ)) and non-algal particles (detrital organic and inorganic sediments bNAP(λ)) from absorption and attenuation measurements in near-shore and lagoon waters. The absorption line height (aLH(676)) measured above a linear background between 648 nm and 714 nm in particulate and dissolved organic matter absorption spectra (ap(λ)) is a spectral feature that is primarily associated with the chlorophyll with significantly less pigment package effect compared to the blue peak, and hence it is solely attributed to the phytoplankton absorption (aph). The correlation of aph(λ) with bph(λ) in terms of the spectral shape and the relation of aLH(676) with chlorophyll concentration hold the key to derive bph(648) from the aLH(676) measurements. bNAP(648) values are then determined by subtracting the bph(648) from bp(648), allowing the power-law model to derive the bNAP(λ). In-situ determination of bph (λ) is subsequently achieved by subtracting the featureless bNAP(λ) from bp(λ) provided by the ac-s sensor. These data form the basis for the development of models for independent estimates of bph(λ) and bNAP(λ) based on the measurements of aLH and suspended sediment concentration or turbidity. The validity of this method was demonstrated in a wide variety of samples from coastal and inland environments. Comparison of the modeled and measured spectral variations of bph(λ) showed the mean relative percent difference between these two data to be within 20%. bNAP(λ) predictions also had an error a few percent and the correlation coefficient close to unity. When comparing the modeled bph(λ) with laboratory culture data, the results were exceptionally good although discrepancies in size and refractive index of cells of monospecific lab culture samples and natural assemblages due to the simultaneous presence of different species. The proposed approach and models are highly instrumental in investigating the scattering properties of phytoplankton and non-living constituents, and will provide new tools for improving our current understanding of particle dynamics, advancing biogeochemical and ecosystem modeling, and assessing phytoplankton blooms and sediment plumes within inland and coastal environments.

The feasibility assessment of radiation dose of movement 3D NIPAM gel by magnetic resonance imaging

NASA Astrophysics Data System (ADS)

Hsieh, Chih-Ming; Leung, Joseph Hang; Ng, Yu-Bun; Cheng, Chih-Wu; Sun, Jung-Chang; Lin, Ping-Chin; Hsieh, Bor-Tsung

2015-11-01

NIPAM dosimeter is widely accepted and recommended for its 3D distribution and accuracy in dose absorption. Up to the moment, most research works on dose measurement are based on a fixed irradiation target without the consideration of the effect from physiological motion. We present a study to construct a respiratory motion simulating patient anatomical and dosimetry model for the study of dosimetic effect of organ motion. The dose on fixed and motion targets was measured by MRI after a dose adminstration of 1, 2, 5, 8, and 10 Gy from linear accelerator. Comparison of two situations is made. The average sensitivity of fixed NIPAM was 0.1356 s-1/Gy with linearity R2=0.998. The average sensitivity of movement NIPAM was 0.1366 s-1/Gy with linearity R2=0.998 both having only 0.001 of the sensitivity difference. The difference between the two based on dose rate dependency, position and depth was not significant. There was thus no apparent impact on NIPAM dosimeter from physiological motion. The high sensitivity, linearity and stability of NIPAM dosimeter proved to be an ideal apparatus in the dose measurement in these circumstances.

Structural control of nonlinear optical absorption and refraction in dense metal nanoparticle arrays.

PubMed

Kohlgraf-Owens, Dana C; Kik, Pieter G

2009-08-17

The linear and nonlinear optical properties of a composite containing interacting spherical silver nanoparticles embedded in a dielectric host are studied as a function of interparticle separation using three dimensional frequency domain simulations. It is shown that for a fixed amount of metal, the effective third-order nonlinear susceptibility of the composite chi((3))(omega) can be significantly enhanced with respect to the linear optical properties, due to a combination of resonant surface plasmon excitation and local field redistribution. It is shown that this geometry-dependent susceptibility enhancement can lead to an improved figure of merit for nonlinear absorption. Enhancement factors for the nonlinear susceptibility of the composite are calculated, and the complex nature of the enhancement factors is discussed.

Off-resonance energy absorption in a linear Paul trap due to mass selective resonant quenching

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

Sivarajah, I.; Goodman, D. S.; Wells, J. E.

Linear Paul traps (LPT) are used in many experimental studies such as mass spectrometry, atom-ion collisions, and ion-molecule reactions. Mass selective resonant quenching (MSRQ) is implemented in LPT either to identify a charged particle's mass or to remove unwanted ions from a controlled experimental environment. In the latter case, MSRQ can introduce undesired heating to co-trapped ions of different mass, whose secular motion is off resonance with the quenching ac field, which we call off-resonance energy absorption (OREA). We present simulations and experimental evidence that show that the OREA increases exponentially with the number of ions loaded into the trapmore » and with the amplitude of the off-resonance external ac field.« less

Time-dependent oral absorption models

NASA Technical Reports Server (NTRS)

Higaki, K.; Yamashita, S.; Amidon, G. L.

2001-01-01

The plasma concentration-time profiles following oral administration of drugs are often irregular and cannot be interpreted easily with conventional models based on first- or zero-order absorption kinetics and lag time. Six new models were developed using a time-dependent absorption rate coefficient, ka(t), wherein the time dependency was varied to account for the dynamic processes such as changes in fluid absorption or secretion, in absorption surface area, and in motility with time, in the gastrointestinal tract. In the present study, the plasma concentration profiles of propranolol obtained in human subjects following oral dosing were analyzed using the newly derived models based on mass balance and compared with the conventional models. Nonlinear regression analysis indicated that the conventional compartment model including lag time (CLAG model) could not predict the rapid initial increase in plasma concentration after dosing and the predicted Cmax values were much lower than that observed. On the other hand, all models with the time-dependent absorption rate coefficient, ka(t), were superior to the CLAG model in predicting plasma concentration profiles. Based on Akaike's Information Criterion (AIC), the fluid absorption model without lag time (FA model) exhibited the best overall fit to the data. The two-phase model including lag time, TPLAG model was also found to be a good model judging from the values of sum of squares. This model also described the irregular profiles of plasma concentration with time and frequently predicted Cmax values satisfactorily. A comparison of the absorption rate profiles also suggested that the TPLAG model is better at prediction of irregular absorption kinetics than the FA model. In conclusion, the incorporation of a time-dependent absorption rate coefficient ka(t) allows the prediction of nonlinear absorption characteristics in a more reliable manner.

Metal powder absorptivity: Modeling and experiment

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

Boley, C. D.; Mitchell, S. C.; Rubenchik, A. M.

Here, we present results of numerical modeling and direct calorimetric measurements of the powder absorptivity for a number of metals. The modeling results generally correlate well with experiment. We show that the powder absorptivity is determined, to a great extent, by the absorptivity of a flat surface at normal incidence. Our results allow the prediction of the powder absorptivity from normal flat-surface absorptivity measurements.

Metal powder absorptivity: Modeling and experiment

DOE PAGES

Boley, C. D.; Mitchell, S. C.; Rubenchik, A. M.; ...

2016-08-10

Here, we present results of numerical modeling and direct calorimetric measurements of the powder absorptivity for a number of metals. The modeling results generally correlate well with experiment. We show that the powder absorptivity is determined, to a great extent, by the absorptivity of a flat surface at normal incidence. Our results allow the prediction of the powder absorptivity from normal flat-surface absorptivity measurements.

Greenhouse Gas Concentration Data Recovery Algorithm for a Low Cost, Laser Heterodyne Radiometer

NASA Astrophysics Data System (ADS)

Miller, J. H.; Melroy, H.; Ott, L.; McLinden, M. L.; Holben, B. N.; Wilson, E. L.

2012-12-01

The goal of a coordinated effort between groups at GWU and NASA GSFC is the development of a low-cost, global, surface instrument network that continuously monitors three key carbon cycle gases in the atmospheric column: carbon dioxide (CO2), methane (CH4), carbon monoxide (CO), as well as oxygen (O2) for atmospheric pressure profiles. The network will implement a low-cost, miniaturized, laser heterodyne radiometer (mini-LHR) that has recently been developed at NASA Goddard Space Flight Center. This mini-LHR is designed to operate in tandem with the passive aerosol sensor currently used in AERONET (a well established network of more than 450 ground aerosol monitoring instruments worldwide), and could be rapidly deployed into this established global network. Laser heterodyne radiometry is a well-established technique for detecting weak signals that was adapted from radio receiver technology. Here, a weak light signal, that has undergone absorption by atmospheric components, is mixed with light from a distributed feedback (DFB) telecommunications laser on a single-mode optical fiber. The RF component of the signal is detected on a fast photoreceiver. Scanning the laser through an absorption feature in the infrared, results in a scanned heterodyne signal in the RF. Deconvolution of this signal through the retrieval algorithm allows for the extraction of altitude contributions to the column signal. The retrieval algorithm is based on a spectral simulation program, SpecSyn, developed at GWU for high-resolution infrared spectroscopies. Variations in pressure, temperature, composition, and refractive index through the atmosphere; that are all functions of latitude, longitude, time of day, altitude, etc.; are modeled using algorithms developed in the MODTRAN program developed in part by the US Air Force Research Laboratory. In these calculations the atmosphere is modeled as a series of spherically symmetric shells with boundaries specified at defined altitudes. Temperature, pressure, and species mixing ratios are defined at these boundaries. Between the boundaries, temperature is assumed to vary linearly with altitude while pressure (and thus gas density) vary exponentially. The observed spectrum at the LHR instrument will be the integration of the contributions along this light path. For any absorption measurement the signal at a particular spectral frequency is a linear combination of spectral line contributions from several species. For each species that might absorb in a spectral region, we have pre-calculated its contribution as a function of temperature and pressure. The integrated path absorption spectrum can then by calculated using the initial sun angle (from location, date, and time) and assumptions about pressure and temperature profiles from an atmospheric model. The modeled spectrum is iterated to match the experimental observation using standard multilinear regression techniques. In addition to the layer concentrations, the numerical technique also provides uncertainty estimates for these quantities as well as dependencies on assumptions inherent in the atmospheric models.

Greenhouse Gas Concentration Data Recovery Algorithm for a Low Cost, Laser Heterodyne Radiometer

NASA Technical Reports Server (NTRS)

Miller, J. Houston; Melroy, Hilary R.; Ott, Lesley E.; Mclinden, Matthew L.; Holben, Brent; Wilson, Emily L.

2012-01-01

The goal of a coordinated effort between groups at GWU and NASA GSFC is the development of a low-cost, global, surface instrument network that continuously monitors three key carbon cycle gases in the atmospheric column: carbon dioxide (CO2), methane (CH4), carbon monoxide (CO), as well as oxygen (O2) for atmospheric pressure profiles. The network will implement a low-cost, miniaturized, laser heterodyne radiometer (mini-LHR) that has recently been developed at NASA Goddard Space Flight Center. This mini-LHR is designed to operate in tandem with the passive aerosol sensor currently used in AERONET (a well established network of more than 450 ground aerosol monitoring instruments worldwide), and could be rapidly deployed into this established global network. Laser heterodyne radiometry is a well-established technique for detecting weak signals that was adapted from radio receiver technology. Here, a weak light signal, that has undergone absorption by atmospheric components, is mixed with light from a distributed feedback (DFB) telecommunications laser on a single-mode optical fiber. The RF component of the signal is detected on a fast photoreceiver. Scanning the laser through an absorption feature in the infrared, results in a scanned heterodyne signal io the RF. Deconvolution of this signal through the retrieval algorithm allows for the extraction of altitude contributions to the column signal. The retrieval algorithm is based on a spectral simulation program, SpecSyn, developed at GWU for high-resolution infrared spectroscopies. Variations io pressure, temperature, composition, and refractive index through the atmosphere; that are all functions of latitude, longitude, time of day, altitude, etc.; are modeled using algorithms developed in the MODTRAN program developed in part by the US Air Force Research Laboratory. In these calculations the atmosphere is modeled as a series of spherically symmetric shells with boundaries specified at defined altitudes. Temperature, pressure, and species mixing ratios are defined at these boundaries. Between the boundaries, temperature is assumed to vary linearly with altitude while pressure (and thus gas density) vary exponentially. The observed spectrum at the LHR instrument will be the integration of the contributions along this light path. For any absorption measurement the signal at a particular spectral frequency is a linear combination of spectral line contributions from several species. For each species that might absorb in a spectral region, we have pre-calculated its contribution as a function of temperature and pressure. The integrated path absorption spectrum can then by calculated using the initial sun angle (from location, date, and time) and assumptions about pressure and temperature profiles from an atmospheric model. The modeled spectrum is iterated to match the experimental observation using standard multilinear regression techniques. In addition to the layer concentrations, the numerical technique also provides uncertainty estimates for these quantities as well as dependencies on assumptions inherent in the atmospheric models.

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

Isfahani, RN; Moghaddam, S

An experimental study on absorption characteristics of water vapor into a thin lithium bromide (LiBr) solution flow is presented. The LiBr solution flow is constrained between a superhydrophobic vapor permeable wall and a solid surface that removes the heat of absorption. As opposed to conventional falling film absorbers, in this configuration, the solution film thickness and velocity can be controlled independently to enhance the absorption rate. The effects of water vapor pressure, cooling surface temperature, solution film thickness, and solution flow velocity on the absorption rate are studied. An absorption rate of approximately 0.006 kg/m(2) s was measured at amore » LiBr solution channel thickness and flow velocity of 100 mu m and 5 mm/s, respectively. The absorption rate increased linearly with the water vapor driving potential at the test conditions of this study. It was demonstrated that decreasing the solution film thickness and increasing the solution velocity enhance the absorption rate. The high absorption rate and the inherently compact form of the proposed,absorber facilitate development of compact small-scale waste heat or solar-thermal driven cooling systems. Published by Elsevier Ltd.« less

Population pharmacokinetics of olmesartan following oral administration of its prodrug, olmesartan medoxomil: in healthy volunteers and hypertensive patients.

PubMed

Yoshihara, Kazutaka; Gao, Yuying; Shiga, Hiroshi; Wada, D Russell; Hisaoka, Masafumi

2005-01-01

Olmesartan medoxomil (CS-866) is a new orally active angiotensin II receptor antagonist that is highly selective for the AT1 receptor subtype. To develop a population pharmacokinetic model for olmesartan (RNH-6270), the active metabolite of olmesartan medoxomil, in healthy volunteers and hypertensive patients, and to evaluate effects of covariates on the apparent oral clearance (CL/F), with particular emphasis on the effect of race. Retrospective analysis of data from 12 phase I-III trials in the US, Europe and Japan. Eighty-nine healthy volunteers and 383 hypertensive patients. Nonlinear mixed-effects modelling was used to evaluate 7911 olmesartan plasma sample concentrations. The covariates included age, bodyweight, sex, race (Westerners [including Caucasians and Hispanics] versus Japanese), patient status (hypertensive patients versus healthy volunteers), serum creatinine level as an index of renal function and serum chemistry data as indices of hepatic function. The pharmacokinetic data of olmesartan were well described by a two-compartment linear model with first-order absorption and an absorption lag-time, parameterised in terms of CL/F (6.66 L/h for a typical male Western hypertensive patient), absorption rate constant (1.46h-1), elimination rate constant (0.193h-1), rate constant from the central to peripheral compartment (0.061h-1), rate constant from the peripheral to central compartment (0.079h-1) and absorption lag-time (0.427h). Analysis of covariates showed that age, bodyweight, sex, patient status and renal function were factors influencing the clearance of olmesartan. The population pharmacokinetic analysis of olmesartan showed that: (i) severe renal impairment (serum creatinine >265 micromol/L [approximately 3 mg/dL]) could cause a clearance decrease of > or =30%; (ii) older age, lower bodyweight and being female were determinants of lower clearance but their effects on olmesartan clearance were within 20%; (iii) no statistically significant difference in clearance was found between Westerners and Japanese.

Two-Photon Absorption of Soft X-Ray Free Electron Laser Radiation by Graphite Near the Carbon K-Absorption Edge

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

Christensen, Steven T; Lam, Royce K.; Raj, Sumana L.

We have examined the transmission of soft X-ray pulses from the FERMI free electron laser through carbon films of varying thickness, quantifying nonlinear effects of pulses above and below the carbon K-edge. At typical of soft X-ray free electron laser intensities, pulses exhibit linear absorption at photon energies above and below the K-edge, ~308 and ~260 eV, respectively; whereas two-photon absorption becomes significant slightly below the K-edge, ~284.2 eV. The measured two-photon absorption cross section at 284.18 eV (~6 x 10-48 cm4 s) is 7 orders of magnitude above what is expected from a simple theory based on hydrogen-like atomsmore » - a result of resonance effects.« less

First-principles C band absorption spectra of SO2 and its isotopologues

NASA Astrophysics Data System (ADS)

Jiang, Bin; Kumar, Praveen; Kłos, Jacek; Alexander, Millard H.; Poirier, Bill; Guo, Hua

2017-04-01

The low-energy wing of the C ˜ B12 ←X˜ 1A1 absorption spectra for SO2 in the ultraviolet region is computed for the 32S,33S,34S and 36S isotopes, using the recently developed ab initio potential energy surfaces (PESs) of the two electronic states and the corresponding transition dipole surface. The state-resolved absorption spectra from various ro-vibrational states of SO2(X˜ 1A1 ) are computed. When contributions of these excited ro-vibrational states are included, the thermally averaged spectra are broadened but maintain their key characters. Excellent agreement with experimental absorption spectra is found, validating the accuracy of the PESs. The isotope shifts of the absorption peaks are found to increase linearly with energy, in good agreement with experiment.

Modelling polarization dependent absorption: The vectorial Lambert-Beer law

NASA Astrophysics Data System (ADS)

Franssens, G.

2014-07-01

The scalar Lambert-Beer law, describing the absorption of unpolarized light travelling through a linear non-scattering medium, is simple, well-known, and mathematically trivial. However, when we take the polarization of light into account and consider a medium with polarization dependent absorption, we now need a Vectorial Lambert-Beer Law (VLBL) to quantify this interaction. Such a generalization of the scalar Lambert-Beer law appears not to be readily available. A careful study of this topic reveals that it is not a trivial problem. We will see that the VLBL is not and cannot be a straightforward vectorized version of its scalar counterpart. The aim of the work is to present the general form of the VLBL and to explain how it arises. A reasonable starting point to derive the VLBL is the Vectorial Radiative Transfer Equation (VRTE), which models the absorption and scattering of (partially) polarized light travelling through a linear medium. When we turn off scattering, the VRTE becomes an infinitesimal model for the VLBL holding in the medium. By integrating this equation, we expect to find the VLBL. Surprisingly, this is not the end of the story. It turns out that light propagation through a medium with polarization-dependent absorption is mathematically not that trivial. The trickiness behind the VLBL can be understood in the following terms. The matrix in the VLBL, relating any input Stokes vector to the corresponding output Stokes vector, must necessarily be a Mueller matrix. The subset of invertible Mueller matrices forms a Lie group. It is known that this Lie group contains the ortho-chronous Lorentz group as a subgroup. The group manifold of this subgroup has a (well-known) non-trivial topology. Consequently, the manifold of the Lie group of Mueller matrices also has (at least the same, but likely a more general) non-trivial topology (the full extent of which is not yet known). The type of non-trivial topology, possessed by the manifold of (invertible) Mueller matrices and which stems from the ortho-chronous Lorentz group, already implies (by a theorem from Lie group theory) that the infinitesimal VRTE model for the VLBL is not guaranteed to produce in general the correct finite model (i.e., the VLBL itself) upon integration. What happens is that the non-trivial topology acts as an obstruction that prevents the (matrix) exponential function to reach the correct Mueller matrix (for the medium at hand), because it is too far away from the identity matrix. This means that, for certain media, the VLBL obtained by integrating the VRTE may be different from the VLBL that one would actually measure. Basically, we have here an example of a physical problem that cannot be completely described by a differential equation! The following more concrete example further illustrates the problem. Imagine a slab of matter, showing polarization dependent absorption but negligible scattering, and consider its Mueller matrix for forward propagating plane waves. Will the measured Mueller matrix of such a slab always have positive determinant? There is no apparent mathematical nor physical reason why this (or any) Mueller matrix must have positive determinant. On the other hand, our VRTE model with scattering turned off will always generate a Mueller matrix with positive determinant. This particular example also presents a nice challenge and opportunity for the experimenter: demonstrate the existence of a medium of the envisioned type having a Mueller matrix with non-positive determinant! Lie group theory not only explains when and why we cannot trust a differential equation, but also offers a way out of such a situation if it arises. Applied to our problem, Lie group theory in addition yields the general form of the VLBL. More details will be given in the presentation.

Predicting Cortisol Exposure from Paediatric Hydrocortisone Formulation Using a Semi-Mechanistic Pharmacokinetic Model Established in Healthy Adults.

PubMed

Melin, Johanna; Parra-Guillen, Zinnia P; Hartung, Niklas; Huisinga, Wilhelm; Ross, Richard J; Whitaker, Martin J; Kloft, Charlotte

2018-04-01

Optimisation of hydrocortisone replacement therapy in children is challenging as there is currently no licensed formulation and dose in Europe for children under 6 years of age. In addition, hydrocortisone has non-linear pharmacokinetics caused by saturable plasma protein binding. A paediatric hydrocortisone formulation, Infacort ® oral hydrocortisone granules with taste masking, has therefore been developed. The objective of this study was to establish a population pharmacokinetic model based on studies in healthy adult volunteers to predict hydrocortisone exposure in paediatric patients with adrenal insufficiency. Cortisol and binding protein concentrations were evaluated in the absence and presence of dexamethasone in healthy volunteers (n = 30). Dexamethasone was used to suppress endogenous cortisol concentrations prior to and after single doses of 0.5, 2, 5 and 10 mg of Infacort ® or 20 mg of Infacort ® /hydrocortisone tablet/hydrocortisone intravenously. A plasma protein binding model was established using unbound and total cortisol concentrations, and sequentially integrated into the pharmacokinetic model. Both specific (non-linear) and non-specific (linear) protein binding were included in the cortisol binding model. A two-compartment disposition model with saturable absorption and constant endogenous cortisol baseline (Baseline cort ,15.5 nmol/L) described the data accurately. The predicted cortisol exposure for a given dose varied considerably within a small body weight range in individuals weighing <20 kg. Our semi-mechanistic population pharmacokinetic model for hydrocortisone captures the complex pharmacokinetics of hydrocortisone in a simplified but comprehensive framework. The predicted cortisol exposure indicated the importance of defining an accurate hydrocortisone dose to mimic physiological concentrations for neonates and infants weighing <20 kg. EudraCT number: 2013-000260-28, 2013-000259-42.

Universal formulation of excitonic linear absorption spectra in all semiconductor microstructures

NASA Astrophysics Data System (ADS)

Lefebvre, Pierre; Christol, Philippe; Mathieu, Henry

1995-01-01

We present a generalization of the well-known exciton absorption calculations of Elliott [Phys. Rev. 108, 1384 (1957)], in the 3-dimensional case, and of Shinada and Sugano [J. Phys. Soc. Japan 21, 1936 (1966)], for 2-dimensional media: We calculate the optical absorption spectra of bound and unbound exciton states, by using a metric space with a noninteger dimension α (1 < α), obtaining almost exactly the same theoretical lineshapes as those resulting from accurate but costly numerical approaches [Chuang et al. Phys. Rev. B, 43, 1500 (1991); Benner and Haug, Phys. Rev. B 47, 15750 (1993)].

Statistical models for sediment/detritus and dissolved absorption coefficients in coastal waters of the northern Gulf of Mexico

NASA Astrophysics Data System (ADS)

Green, Rebecca E.; Gould, Richard W., Jr.; Ko, Dong S.

2008-06-01

We developed statistically-based, optical models to estimate tripton (sediment/detrital) and colored dissolved organic matter (CDOM) absorption coefficients ( a sd, a g) from physical hydrographic and atmospheric properties. The models were developed for northern Gulf of Mexico shelf waters using multi-year satellite and physical data. First, empirical algorithms for satellite-derived a sd and a g were developed, based on comparison with a large data set of cruise measurements from northern Gulf shelf waters; these algorithms were then applied to a time series of ocean color (SeaWiFS) satellite imagery for 2002-2005. Unique seasonal timing was observed in satellite-derived optical properties, with a sd peaking most often in fall/winter on the shelf, in contrast to summertime peaks observed in a g. Next, the satellite-derived values were coupled with the physical data to form multiple regression models. A suite of physical forcing variables were tested for inclusion in the models: discharge from the Mississippi River and Mobile Bay, Alabama; gridded fields for winds, precipitation, solar radiation, sea surface temperature and height (SST, SSH); and modeled surface salinity and currents (Navy Coastal Ocean Model, NCOM). For satellite-derived a sd and a g time series (2002-2004), correlation and stepwise regression analyses revealed the most important physical forcing variables. Over our region of interest, the best predictors of tripton absorption were wind speed, river discharge, and SST, whereas dissolved absorption was best predicted by east-west wind speed, river discharge, and river discharge lagged by 1 month. These results suggest the importance of vertical mixing (as a function of winds and thermal stratification) in controlling a sd distribution patterns over large regions of the shelf, in comparison to advection as the most important control on a g. The multiple linear regression models for estimating a sd and a g were applied on a pixel-by-pixel basis and results were compared to monthly SeaWiFS composite imagery. The models performed well in resolving seasonal and interannual optical variability in model development years (2002-2004) (mean error of 32% for a sd and 29% for a g) and in predicting shelfwide optical patterns in a year independent of model development (2005; mean error of 41% for a sd and 46% for a g). The models provide insight into the dominant processes controlling optical distributions in this region, and they can be used to predict the optical fields from the physical properties at monthly timescales.

Excitation of higher lying energy states in a rubidium DPAL

NASA Astrophysics Data System (ADS)

Wallerstein, A. J.; Perram, Glen; Rice, Christopher A.

2018-02-01

The spontaneous emission in a cw rubidium diode dumped alkali laser (DPAL) system was analyzed. The fluorescence from higher lying states decreases with additional buffer gas. The intermediate states (7S, 6P, 5D) decay more slowly with buffer gas and scale super-linearly with alkali density. A detailed kinetic model has been constructed, where the dominant mechanisms are energy pooling and single photon ionization. It also includes pumping into the non-Lorentzian wings of absorption profiles, fine structure mixing, collisional de-excitation, and Penning ionization. Effects of ionization in a high powered CW rubidium DPAL were assessed.

Enhanced Kerr nonlinearity in a quantized four-level graphene nanostructure

NASA Astrophysics Data System (ADS)

Ghahraman, Solookinejad; M, Panahi; E, Ahmadi; Seyyed, Hossein Asadpour

2016-07-01

In this paper, a new model is proposed for manipulating the Kerr nonlinearity of right-hand circular probe light in a monolayer of graphene nanostructure. By using the density matrix equations and quantum optical approach, the third-order susceptibility of probe light is explored numerically. It is realized that the enhanced Kerr nonlinearity with zero linear absorption can be provided by selecting the appropriate quantities of controllable parameters, such as Rabi frequency and elliptical parameter of elliptical polarized coupling field. Our results may be useful applications in future all-optical system devices in nanostructures.

[Validation of an in-house method for the determination of zinc in serum: Meeting the requirements of ISO 17025].

PubMed

Llorente Ballesteros, M T; Navarro Serrano, I; López Colón, J L

2015-01-01

The aim of this report is to propose a scheme for validation of an analytical technique according to ISO 17025. According to ISO 17025, the fundamental parameters tested were: selectivity, calibration model, precision, accuracy, uncertainty of measurement, and analytical interference. A protocol has been developed that has been applied successfully to quantify zinc in serum by atomic absorption spectrometry. It is demonstrated that our method is selective, linear, accurate, and precise, making it suitable for use in routine diagnostics. Copyright © 2015 SECA. Published by Elsevier Espana. All rights reserved.

Thermal properties of borate crystals for high power optical parametric chirped-pulse amplification.

PubMed

Riedel, R; Rothhardt, J; Beil, K; Gronloh, B; Klenke, A; Höppner, H; Schulz, M; Teubner, U; Kränkel, C; Limpert, J; Tünnermann, A; Prandolini, M J; Tavella, F

2014-07-28

The potential of borate crystals, BBO, LBO and BiBO, for high average power scaling of optical parametric chirped-pulse amplifiers is investigated. Up-to-date measurements of the absorption coefficients at 515 nm and the thermal conductivities are presented. The measured absorption coefficients are a factor of 10-100 lower than reported by the literature for BBO and LBO. For BBO, a large variation of the absorption coefficients was found between crystals from different manufacturers. The linear and nonlinear absorption coefficients at 515 nm as well as thermal conductivities were determined for the first time for BiBO. Further, different crystal cooling methods are presented. In addition, the limits to power scaling of OPCPAs are discussed.

[Determination of trace cobalt in human urine by graphite furnace atomic absorption spectrometr].

PubMed

Zhong, L X; Ding, B M; Jiang, D; Liu, D Y; Yu, B; Zhu, B L; Ding, L

2016-05-20

To establish a method to determine cobalt in human urine by graphite furnace atomic absorption spectrometry. Urine with 2% nitric acid diluted two-fold, to quantify the curve, graphite furnace atomic absorption spectrometric detection. Co was linear within 2.5~40.0 ng/ml with r>0.999. Spike experiment showed that Co received good recovery rate, which was 90.8%~94.8%. Intra-assay precisions were 3.2%~5.1% for Co, inter-assay precisions were 4.4%~5.2% for Co. The method by using graphite furnace atomic absorption spectrometr to determine urine Co was fast, accurate and with low matrix effect. It could meet the requirement in GBZ/T 210.5-2008.

Investigation of the multiplet features of SrTiO 3 in X-ray absorption spectra based on configuration interaction calculations

DOE PAGES

Wu, M.; Xin, Houlin L.; Wang, J. O.; ...

2018-04-24

Synchrotron-based L 2,3-edge absorption spectra show strong sensitivities to the local electronic structure and chemical environment. However, detailed physical information cannot be extracted easily without computational aids. Here in this study using the experimental Ti L 2,3-edges absorption spectrum of SrTiO 3as a fingerprint and considering full multiplet effects, calculations yield different energy parameters characterizing local ground state properties. The peak splitting and intensity ratios of the L 3 and L 2 set of peaks are carefully analyzed quantitatively, giving rise to a small hybridization energy around 1.2 eV, and the different hybridization energy values reported in the literature aremore » further addressed. Finally, absorption spectra with different linearly polarized photons under various tetragonal crystal fields are investigated, revealing a non-linear orbital–lattice interaction, and a theoretical guidance for material engineering of SrTiO 3-based thin films and heterostructures is offered. Finally, detailed analysis of spectrum shifts with different tetragonal crystal fields suggests that the e g crystal field splitting is a necessary parameter for a thorough analysis of the spectra, even though it is not relevant for the ground state properties.« less

Investigation of the multiplet features of SrTiO 3 in X-ray absorption spectra based on configuration interaction calculations

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

Wu, M.; Xin, Houlin L.; Wang, J. O.

Synchrotron-based L 2,3-edge absorption spectra show strong sensitivities to the local electronic structure and chemical environment. However, detailed physical information cannot be extracted easily without computational aids. Here in this study using the experimental Ti L 2,3-edges absorption spectrum of SrTiO 3as a fingerprint and considering full multiplet effects, calculations yield different energy parameters characterizing local ground state properties. The peak splitting and intensity ratios of the L 3 and L 2 set of peaks are carefully analyzed quantitatively, giving rise to a small hybridization energy around 1.2 eV, and the different hybridization energy values reported in the literature aremore » further addressed. Finally, absorption spectra with different linearly polarized photons under various tetragonal crystal fields are investigated, revealing a non-linear orbital–lattice interaction, and a theoretical guidance for material engineering of SrTiO 3-based thin films and heterostructures is offered. Finally, detailed analysis of spectrum shifts with different tetragonal crystal fields suggests that the e g crystal field splitting is a necessary parameter for a thorough analysis of the spectra, even though it is not relevant for the ground state properties.« less

Effect of reduction time on third order optical nonlinearity of reduced graphene oxide

NASA Astrophysics Data System (ADS)

Sreeja, V. G.; Vinitha, G.; Reshmi, R.; Anila, E. I.; Jayaraj, M. K.

2017-04-01

We report the influence of reduction time on structural, linear and nonlinear optical properties of reduced graphene oxide (rGO) thin films synthesized by spin coating method. We observed that the structural, linear and nonlinear optical properties can be tuned with reduction time in GO is due to the increased structural ordering because of the restoration of sp2 carbon atoms with the time of reduction. The nonlinear absorption studies by open aperture Z-scan technique exhibited a saturable absorption. The nonlinear refraction studies showed the self de focusing nature of rGO by closed aperture Z scan technique. The nonlinear absorption coefficient and saturation intensity varies with the time for reduction of GO which is attributed to the depletion of valence band and the conduction band filling effect. Our results emphasize duration for reduction of GO dependent optical nonlinearity of rGO thin films to a great extent and explore its applications Q switched mode locking laser systems for generating ultra short laser pulses and in optical sensors. The rGO coated films were characterized by X-Ray diffraction method (XRD), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, UV-Vis absorption spectroscopy (UV-Vis), Photoluminescence (PL) and Scanning electron microscope (SEM) measurements.

The potential of immobilized artificial membrane chromatography to predict human oral absorption.

PubMed

Tsopelas, Fotios; Vallianatou, Theodosia; Tsantili-Kakoulidou, Anna

2016-01-01

The potential of immobilized artificial membrane (IAM) chromatography to estimate human oral absorption (%HOA) was investigated. For this purpose, retention indices on IAM stationary phases reported previously by our group or measured by other authors under similar conditions were used to model %HOA data, compiled from literature sources. Considering the pH gradient in gastrointestinal tract, the highest logkw(IAM) values were considered, obtained either at pH7.4 or 5.5, defined as logkw(IAM)(best). Non linear models were established upon introduction of additional parameters and after exclusion of drugs which are substrates either to efflux or uptake transporters. The best model included Abraham's hydrogen-bond acidity parameter, molecular weight as well as the positively and negatively charged molecular fractions. For reasons of comparison between IAM chromatography and traditional lipophilicity, corresponding models were derived by replacing IAM retention factors with octanol-water distribution coefficients (logD). An overexpression of electrostatic interactions with phosphate anions was observed in the case of IAM retention as expressed by the negative contribution of the positively charged fraction F(+). The same parameter is statistically significant also in the logD model, but with a positive sign, indicating the attraction of basic drugs in the negatively charged inner membrane. To validate the obtained models a blind test set of 22 structurally diverse drugs was used, whose logkw(IAM)(best) values were determined and analyzed in the present study under similar conditions. IAM retention factors were further compared with MDCK cell lines permeability data taken from literature for a set of validation drugs. The overexpression of electrostatic interactions with phosphate anions on IAM surface was also evident in respect to MDCK permeability. In contrast to the clear classification between drugs with high and poor (or intermediate) absorption provided by MDCK permeability, %HOA plotted versus both IAM and logD data result in a saturation curve with a smoother ascending line. Copyright © 2015 Elsevier B.V. All rights reserved.

The role of surface oxides on hydrogen sorption kinetics in titanium thin films

NASA Astrophysics Data System (ADS)

Hadjixenophontos, Efi; Michalek, Lukas; Roussel, Manuel; Hirscher, Michael; Schmitz, Guido

2018-05-01

Titanium is presently discussed as a catalyst to accelerate the hydrogenation kinetics of hydrogen storage materials. It is however known that H absorption in Ti decisively depends on the surface conditions (presence or absence of the natural surface oxide). In this work, we use Ti thin films of controlled thickness (50-800 nm) as a convenient tool for quantifying the atomic transport. XRD and TEM investigations allow us to follow the hydrogenation progress inside the film. Hydrogenation of TiO2/Ti bi-layers is studied at 300 °C, for different durations (10 s to 600 min) and at varying pressures of pure H2 atmosphere. Under these conditions, the hydrogenation is found to be linear in time. By comparing films with and without TiO2, as well as by studying the pressure dependence of hydrogenation, it is demonstrated that hydrogen transport across the oxide represents the decisive kinetic barrier rather than the splitting of H2 molecules at the surface. Hydrogenation appears by a layer-like reaction initiated by heterogeneous nucleation at the backside interface to the substrate. The linear growth constant and the H diffusion coefficient inside the oxide are quantified, as well as a reliable lower bound to the hydrogen diffusion coefficient in Ti is derived. The pressure dependence of hydrogen absorption is quantitatively modelled.

Metal-core/semiconductor-shell nanocones for broadband solar absorption enhancement.

PubMed

Zhou, Lin; Yu, Xiaoqiang; Zhu, Jia

2014-02-12

Nanostructure-based photovoltaic devices have exhibited several advantages, such as reduced reflection, extraordinary light trapping, and so forth. In particular, semiconductor nanostructures provide optical modes that have strong dependence on the size and geometry. Metallic nanostructures also attract a lot of attention because of the appealing plasmonic effect on the near-field enhancement. In this study, we propose a novel design, the metal-core/semiconductor-shell nanocones with the core radius varying in a linearly gradient style. With a thin layer of semiconductor absorber coated on a metallic cone, such a design can lead to significant and broadband absorption enhancement across the entire visible and near-infrared solar spectrum. As an example of demonstration, a layer of 16 nm thick crystalline silicon (c-Si) coated on a silver nanocone can absorb 27% of standard solar radiation across a broad spectral range of 300-1100 nm, which is equivalent to a 700 nm thick flat c-Si film. Therefore, the absorption enhancement factor approaching the Yablonovitch limit is achieved with this design. The significant absorption enhancement can be ascribed to three types of optical modes, that is, Fabry-Perot modes, plasmonic modes, and hybrid modes that combine the features of the previous two. In addition, the unique nanocone geometry enables the linearly gradient radius of the semiconductor shell, which can support multiple optical resonances, critical for the broadband absorption. Our design may find general usage as elements for the low cost, high efficiency solar conversion and water-splitting devices.

Plasmonic nanoparticles embedded in single crystals synthesized by gold ion implantation for enhanced optical nonlinearity and efficient Q-switched lasing.

PubMed

Nie, W J; Zhang, Y X; Yu, H H; Li, R; He, R Y; Dong, N N; Wang, J; Hübner, R; Böttger, R; Zhou, S Q; Amekura, H; Chen, F

2018-03-01

We report on the synthesis of embedded gold (Au) nanoparticles (NPs) in Nd:YAG single crystals using ion implantation and subsequent thermal annealing. Both linear and nonlinear absorption of the Nd:YAG crystals have been enhanced significantly due to the embedded Au NPs, which is induced by the surface plasmon resonance (SPR) effect in the visible light wavelength band. Particularly, through a typical Z-scan system excited by a femtosecond laser at 515 nm within the SPR band, the nonlinear absorption coefficients of crystals with Au NPs have been observed to be nearly 5 orders of magnitude larger than that without Au NPs. This giant enhancement of nonlinear absorption properties is correlated with the saturable absorption (SA) effect, which is the basis of passive Q-switching or mode-locking for pulsed laser generation. In addition, the linear and nonlinear absorption enhancement could be tailored by varying the fluence of implanted Au + ions, corresponding to the NP size and concentration modulation. Finally, the Nd:YAG wafer with embedded Au NPs has been applied as a saturable absorber in a Pr:LuLiF 4 crystal laser cavity, and efficient pulsed laser generation at 639 nm has been realized, which presents superior performance to the MoS 2 saturable absorber based system. This work opens an avenue to enhance and modulate the nonlinearities of dielectrics by embedding plasmonic Au NPs for efficient pulsed laser operation.

Optical spectroscopy of nanoscale and heterostructured oxides

NASA Astrophysics Data System (ADS)

Senty, Tess R.

Through careful analysis of a material's properties, devices are continually getting smaller, faster and more efficient each day. Without a complete scientific understanding of material properties, devices cannot continue to improve. This dissertation uses optical spectroscopy techniques to understand light-matter interactions in several oxide materials with promising uses mainly in light harvesting applications. Linear absorption, photoluminescence and transient absorption spectroscopy are primarily used on europium doped yttrium vanadate nanoparticles, copper gallium oxide delafossites doped with iron, and cadmium selenide quantum dots attached to titanium dioxide nanoparticles. Europium doped yttrium vanadate nanoparticles have promising applications for linking to biomolecules. Using Fourier-transform infrared spectroscopy, it was shown that organic ligands (benzoic acid, 3-nitro 4-chloro-benzoic acid and 3,4-dihydroxybenzoic acid) can be attached to the surface of these molecules using metal-carboxylate coordination. Photoluminescence spectroscopy display little difference in the position of the dominant photoluminescence peaks between samples with different organic ligands although there is a strong decrease in their intensity when 3,4-dihydroxybenzoic acid is attached. It is shown that this strong quenching is due to the presence of high-frequency hydroxide vibrational modes within the organic linker. Ultraviolet/visible linear absorption measurements on delafossites display that by doping copper gallium oxide with iron allows for the previously forbidden fundamental gap transition to be accessed. Using tauc plots, it is shown that doping with iron lowers the bandgap from 2.8 eV for pure copper gallium oxide, to 1.7 eV for samples with 1 -- 5% iron doping. Using terahertz transient absorption spectroscopy measurements, it was also determined that doping with iron reduces the charge mobility of the pure delafossite samples. A comparison of cadmium selenide quantum dots, both with and without capping ligands, attached to titanium dioxide nanoparticles is performed using a new transient absorption analysis technique. Multiple exponential fit models were applied to the system and compared with the new inversion analysis technique. It is shown how the new inversion analysis can map out the charge carrier dynamics, providing carrier recombination rates and lifetimes as a function of carrier concentration, where the multiple exponential fit technique is not dependent on the carrier concentration. With the inversion analysis technique it is shown that capping ligands allow for increased charge transfer due to traps being passivated on the quantum dot surface.

Broadband optical properties of graphene and HOPG investigated by spectroscopic Mueller matrix ellipsometry

NASA Astrophysics Data System (ADS)

Song, Baokun; Gu, Honggang; Zhu, Simin; Jiang, Hao; Chen, Xiuguo; Zhang, Chuanwei; Liu, Shiyuan

2018-05-01

Optical properties of mono-graphene fabricated by chemical vapor deposition (CVD) and highly oriented pyrolytic graphite (HOPG) are comparatively studied by Mueller matrix ellipsometry (MME) over an ultra-wide energy range of 0.73-6.42 eV. A multilayer stacking model is constructed to describe the CVD mono-graphene, in which the roughness of the glass substrate and the water adsorption on the graphene are considered. We introduce a uniaxial anisotropic dielectric model to parameterize the optical constants of both the graphene and the HOPG. With the established models, broadband optical constants of the graphene and the HOPG are determined from the Mueller matrix spectra based on a point-by-point method and a non-linear regression method, respectively. Two significant absorption peaks at 4.75 eV and 6.31 eV are observed in the extinction coefficient spectra of the mono-graphene, which can be attributed to the von-Hove singularity (i.e., the π-to-π∗ exciton transition) near the M point and the σ-to-σ∗ exciton transition near the Γ point of the Brillouin zone, respectively. Comparatively, only a major absorption peak at 4.96 eV appears in the ordinary extinction coefficient spectra of the HOPG, which is mainly formed by the π-to-π∗ interband transition.

A Randomized Trial of Vitamin D3 Supplementation in Children: Dose-Response Effects on Vitamin D Metabolites and Calcium Absorption

PubMed Central

Laing, E. M.; Hill Gallant, K. M.; Hall, D. B.; McCabe, G. P.; Hausman, D. B.; Martin, B. R.; Warden, S. J.; Peacock, M.; Weaver, C. M.

2013-01-01

Context: Changes in serum vitamin D metabolites and calcium absorption with varying doses of oral vitamin D3 in healthy children are unknown. Objective: Our objective was to examine the dose-response effects of supplemental vitamin D3 on serum vitamin D metabolites and calcium absorption in children living at two U.S. latitudes. Design: Black and white children (n = 323) participated in a multisite (U.S. latitudes 34° N and 40° N), triple-masked trial. Children were randomized to receive oral vitamin D3 (0, 400, 1000, 2000, and 4000 IU/d) and were sampled over 12 weeks in winter. Serum 25-hydroxyvitamin D (25(OH)D) and 1,25-dihydroxyvitamin D (1,25(OH)2D) were measured using RIA and intact PTH (iPTH) by immunoradiometric assay. Fractional calcium absorption was determined from an oral stable isotope 44Ca (5 mg) in a 150-mg calcium meal. Nonlinear and linear regression models were fit for vitamin D metabolites, iPTH, and calcium absorption. Results: The mean baseline 25(OH)D value for the entire sample was 70.0 nmol/L. Increases in 25(OH)D depended on dose with 12-week changes ranging from −10 nmol/L for placebo to 76 nmol/L for 4000 IU. Larger 25(OH)D gains were observed for whites vs blacks at the highest dose (P < .01). Gains for 1,25(OH)2D were not significant (P = .07), and decreases in iPTH were not dose-dependent. There was no dose effect of vitamin D on fractional calcium absorption when adjusted for pill compliance, race, sex, or baseline 25(OH)D. Conclusion: Large increases in serum 25(OH)D with vitamin D3 supplementation did not increase calcium absorption in healthy children living at 2 different latitudes. Supplementation with 400 IU/d was sufficient to maintain wintertime 25(OH)D concentrations in healthy black, but not white, children. PMID:24092833

Correlation of in vitro and in vivo paracetamol availability from layered excipient suppositories.

PubMed

Chicco, D; Grabnar, I; Skerjanec, A; Vojnovic, D; Maurich, V; Realdon, N; Ragazzi, E; Belic, A; Karba, R; Mrhar, A

1999-11-05

An in vivo investigation of paracetamol availability was carried out on eight healthy volunteers, comparing two paracetamol suppository formulations prepared using two different gliceride bases, a fast drug-releasing one and a slow drug-releasing one, i.e. Witepsol H15 and W35, respectively. The formulations were selected on the basis of a previous in vitro drug release study, which showed that, by superimposing the excipients in two layers within the same suppository, the drug release kinetics could be modulated using different ratios between the two layers. The comparison between the two different formulations in terms of plasma profiles and total amounts of drug excreted in urine revealed an increase in the extent of drug absorption from the layered excipient suppository. As the W35 has a higher monoglyceride content than the H15, this improved paracetamol availability could be ascribed to the absorption-enhancing effect of the monoglycerides. Moreover, the W35 has also a higher viscosity, which could possibly cause the suppository to be retained for a longer time in the lower part of the rectum, where the blood is drained directly to the systemic circulation. It was therefore hypothesized that the enhanced paracetamol availability could be also due to a liver bypass mechanism. For a further examination of the paracetamol absorption kinetics after rectal administration, a one-compartment model was fitted to the drug plasma concentration data. This approach allowed to draw absorption versus time profiles, which showed that a retardation actually occurred in paracetamol absorption when using suppositories containing the slow drug releasing excipient W35. These absorption data were then employed for an A level in vitro-in vivo correlation testing, and a linear relationship was found between in vitro release rate and in vivo absorption rate, both for fast releasing and for the layered excipient suppositories.

A randomized trial of vitamin D₃ supplementation in children: dose-response effects on vitamin D metabolites and calcium absorption.

PubMed

Lewis, R D; Laing, E M; Hill Gallant, K M; Hall, D B; McCabe, G P; Hausman, D B; Martin, B R; Warden, S J; Peacock, M; Weaver, C M

2013-12-01

Changes in serum vitamin D metabolites and calcium absorption with varying doses of oral vitamin D₃ in healthy children are unknown. Our objective was to examine the dose-response effects of supplemental vitamin D₃ on serum vitamin D metabolites and calcium absorption in children living at two U.S. latitudes. Black and white children (n = 323) participated in a multisite (U.S. latitudes 34° N and 40° N), triple-masked trial. Children were randomized to receive oral vitamin D₃ (0, 400, 1000, 2000, and 4000 IU/d) and were sampled over 12 weeks in winter. Serum 25-hydroxyvitamin D (25(OH)D) and 1,25-dihydroxyvitamin D (1,25(OH)₂D) were measured using RIA and intact PTH (iPTH) by immunoradiometric assay. Fractional calcium absorption was determined from an oral stable isotope ⁴⁴Ca (5 mg) in a 150-mg calcium meal. Nonlinear and linear regression models were fit for vitamin D metabolites, iPTH, and calcium absorption. The mean baseline 25(OH)D value for the entire sample was 70.0 nmol/L. Increases in 25(OH)D depended on dose with 12-week changes ranging from -10 nmol/L for placebo to 76 nmol/L for 4000 IU. Larger 25(OH)D gains were observed for whites vs blacks at the highest dose (P < .01). Gains for 1,25(OH)₂D were not significant (P = .07), and decreases in iPTH were not dose-dependent. There was no dose effect of vitamin D on fractional calcium absorption when adjusted for pill compliance, race, sex, or baseline 25(OH)D. Large increases in serum 25(OH)D with vitamin D₃ supplementation did not increase calcium absorption in healthy children living at 2 different latitudes. Supplementation with 400 IU/d was sufficient to maintain wintertime 25(OH)D concentrations in healthy black, but not white, children.

Spectral- and size-resolved mass absorption efficiency of mineral dust aerosols in the shortwave spectrum: a simulation chamber study

NASA Astrophysics Data System (ADS)

Caponi, Lorenzo; Formenti, Paola; Massabó, Dario; Di Biagio, Claudia; Cazaunau, Mathieu; Pangui, Edouard; Chevaillier, Servanne; Landrot, Gautier; Andreae, Meinrat O.; Kandler, Konrad; Piketh, Stuart; Saeed, Thuraya; Seibert, Dave; Williams, Earle; Balkanski, Yves; Prati, Paolo; Doussin, Jean-François

2017-06-01

This paper presents new laboratory measurements of the mass absorption efficiency (MAE) between 375 and 850 nm for 12 individual samples of mineral dust from different source areas worldwide and in two size classes: PM10. 6 (mass fraction of particles of aerodynamic diameter lower than 10.6 µm) and PM2. 5 (mass fraction of particles of aerodynamic diameter lower than 2.5 µm). The experiments were performed in the CESAM simulation chamber using mineral dust generated from natural parent soils and included optical and gravimetric analyses. The results show that the MAE values are lower for the PM10. 6 mass fraction (range 37-135 × 10-3 m2 g-1 at 375 nm) than for the PM2. 5 (range 95-711 × 10-3 m2 g-1 at 375 nm) and decrease with increasing wavelength as λ-AAE, where the Ångström absorption exponent (AAE) averages between 3.3 and 3.5, regardless of size. The size independence of AAE suggests that, for a given size distribution, the dust composition did not vary with size for this set of samples. Because of its high atmospheric concentration, light absorption by mineral dust can be competitive with black and brown carbon even during atmospheric transport over heavy polluted regions, when dust concentrations are significantly lower than at emission. The AAE values of mineral dust are higher than for black carbon (˜ 1) but in the same range as light-absorbing organic (brown) carbon. As a result, depending on the environment, there can be some ambiguity in apportioning the aerosol absorption optical depth (AAOD) based on spectral dependence, which is relevant to the development of remote sensing of light-absorbing aerosols and their assimilation in climate models. We suggest that the sample-to-sample variability in our dataset of MAE values is related to regional differences in the mineralogical composition of the parent soils. Particularly in the PM2. 5 fraction, we found a strong linear correlation between the dust light-absorption properties and elemental iron rather than the iron oxide fraction, which could ease the application and the validation of climate models that now start to include the representation of the dust composition, as well as for remote sensing of dust absorption in the UV-vis spectral region.

The transverse instability in a differentially heated vertical cavity filled with molecular radiating gases. I. Linear stability analysis

NASA Astrophysics Data System (ADS)

Borget, V.; Bdéoui, F.; Soufiani, A.; Le Quéré, P.

2001-05-01

Radiation effects on the onset of the transverse instability in a differentially heated vertical cavity containing molecular emitting and absorbing gases in the so-called conduction regime is studied theoretically. Radiative transfer is treated using the full integro-differential formulation. The neutral stability curves are determined using a combined Galerkin-collocation method based on Chebyshev polynomials. A modified correlated-k model and the absorption distribution function model are used in order to take into account the spectral structure of the absorption coefficient for radiating molecules such as H2O and CO2. For transparent media, perfect agreement is found with the available data reported in the literature and, particularly, the principle of exchange of stability is found to hold for Prandtl number values less than 12.46. The study of gray media allows us to examine the basic mechanisms that yield to the onset of transverse instability as traveling waves. For real radiating gases, a parametric study for H2O and CO2 is reported. It is shown that the radiative transfer delays the onset of the transverse instability and this delay increases with temperature and decreases with boundary emissivities, while layer depth effects depend on the level of saturation of the gas active absorption bands. Whatever the gas considered, it is found that neither radiation effect on the basic flow nor the radiative power disturbances can be neglected.

Portable, Fiber-Based, Diffuse Reflection Spectroscopy (DRS) Systems for Estimating Tissue Optical Properties.

PubMed

Vishwanath, Karthik; Chang, Kevin; Klein, Daniel; Deng, Yu Feng; Chang, Vivide; Phelps, Janelle E; Ramanujam, Nimmi

2011-02-01

Steady-state diffuse reflection spectroscopy is a well-studied optical technique that can provide a noninvasive and quantitative method for characterizing the absorption and scattering properties of biological tissues. Here, we compare three fiber-based diffuse reflection spectroscopy systems that were assembled to create a light-weight, portable, and robust optical spectrometer that could be easily translated for repeated and reliable use in mobile settings. The three systems were built using a broadband light source and a compact, commercially available spectrograph. We tested two different light sources and two spectrographs (manufactured by two different vendors). The assembled systems were characterized by their signal-to-noise ratios, the source-intensity drifts, and detector linearity. We quantified the performance of these instruments in extracting optical properties from diffuse reflectance spectra in tissue-mimicking liquid phantoms with well-controlled optical absorption and scattering coefficients. We show that all assembled systems were able to extract the optical absorption and scattering properties with errors less than 10%, while providing greater than ten-fold decrease in footprint and cost (relative to a previously well-characterized and widely used commercial system). Finally, we demonstrate the use of these small systems to measure optical biomarkers in vivo in a small-animal model cancer therapy study. We show that optical measurements from the simple portable system provide estimates of tumor oxygen saturation similar to those detected using the commercial system in murine tumor models of head and neck cancer.

Thermal mirror spectrometry: An experimental investigation of optical glasses

NASA Astrophysics Data System (ADS)

Zanuto, V. S.; Herculano, L. S.; Baesso, M. L.; Lukasievicz, G. V. B.; Jacinto, C.; Malacarne, L. C.; Astrath, N. G. C.

2013-03-01

The Thermal mirror technique relies on measuring laser-induced nanoscale surface deformation of a solid sample. The amplitude of the effect is directly dependent on the optical absorption and linear thermal expansion coefficients, and the time evolution depends on the heat diffusion properties of the sample. Measurement of transient signals provide direct access to thermal, optical and mechanical properties of the material. The theoretical models describing this effect can be formulated for very low optical absorbing and for absorbing materials. In addition, the theories describing the effect apply for semi-infinite and finite samples. In this work, we apply the Thermal mirror technique to measure physical properties of optical glasses. The semi-infinite and finite models are used to investigate very low optical absorbing glasses. The thickness limit for which the semi-infinite model retrieves the correct values of the thermal diffusivity and amplitude of the transient is obtained using the finite description. This procedure is also employed on absorbing glasses, and the semi-infinite Beer-Lambert law model is used to analyze the experimental data. The experimental data show the need to use the finite model for samples with very low bulk absorption coefficients and thicknesses L < 1.5 mm. This analysis helped to establish limit values of thickness for which the semi-infinite model for absorbing materials could be used, L > 1.0 mm in this case. In addition, the physical properties of the samples were calculated and absolute values derived.

Exploring Divisibility and Summability of 'Photon' Wave Packets in Nonlinear Optical Phenomena

NASA Technical Reports Server (NTRS)

Prasad, Narasimha; Roychoudhuri, Chandrasekhar

2009-01-01

Formulations for second and higher harmonic frequency up and down conversions, as well as multi photon processes directly assume summability and divisibility of photons. Quantum mechanical (QM) interpretations are completely congruent with these assumptions. However, for linear optical phenomena (interference, diffraction, refraction, material dispersion, spectral dispersion, etc.), we have a profound dichotomy. Most optical engineers innovate and analyze all optical instruments by propagating pure classical electromagnetic (EM) fields using Maxwell s equations and gives only lip-service to the concept "indivisible light quanta". Further, irrespective of linearity or nonlinearity of the phenomena, the final results are always registered through some photo-electric or photo-chemical effects. This is mathematically well modeled by a quadratic action (energy absorption) relation. Since QM does not preclude divisibility or summability of photons in nonlinear & multi-photon effects, it cannot have any foundational reason against these same possibilities in linear optical phenomena. It implies that we must carefully revisit the fundamental roots behind all light-matter interaction processes and understand the common origin of "graininess" and "discreteness" of light energy.

The global mean energy balance under cloud-free conditions

NASA Astrophysics Data System (ADS)

Wild, Martin; Hakuba, Maria; Folini, Dois; Ott, Patricia; Long, Charles

2017-04-01

A long standing problem of climate models is their overestimation of surface solar radiation not only under all-sky, but also under clear-sky conditions (Wild et al. 1995, Wild et al. 2006). This overestimation reduced over time in consecutive model generations due to the simulation of stronger atmospheric absorption. Here we analyze the clear sky fluxes of the latest climate model generation from the Coupled Model Intercomparison Project Phase 5 (CMIP5) against an expanded and updated set of direct observations from the Baseline Surface Radiation Network (BSRN). Clear sky climatologies from these sites have been composed based on the Long and Ackermann (2000) clear sky detection algorithm (Hakuba et al. 2017), and sampling issues when comparing with model simulated clear sky fluxes have been analyzed in Ott (2017). Overall, the overestimation of clear sky insolation in the CMIP5 models is now merely 1-2 Wm-2 in the multimodel mean, compared to 4 Wm-2 in CMIP3 and 6 Wm-2 in AMIPII (Wild et al. 2006). Still a considerable spread in the individual model biases is apparent, ranging from -2 Wm-2 to 10 Wm-2 when averaged over 53 globally distributed BSRN sites. This bias structure is used to infer best estimates for present day global mean clear sky insolation, following an approach developped in Wild et al. (2013, 2015, Clim. Dyn.) for all sky fluxes. Thereby the flux biases in the various models are linearly related to their respective global means. A best estimate can then be inferred from the linear regression at the intersect where the bias against the surface observations becomes zero. This way we obtain a best estimate of 247 Wm-2 for the global mean insolation at the Earth surface under cloud free conditions, and a global mean absorbed solar radiation of 214 Wm-2 in the cloud-free atmosphere, assuming a global mean surface albedo of 13.5%. Combined with a best estimate for the net influx of solar radiation at the Top of Atmosphere under cloud free conditions from CERES EBAF of 286 Wm-2, this leaves an amount of 72 Wm-2 absorbed solar radiation in the cloud free atmosphere. The 72 Wm-2 closely match our best estimate for the global mean cloud-free atmospheric absorption in Wild et al. JGR (2006) based on older models and their biases against much fewer direct observation. This indicates that the estimate of global mean solar absorption in the cloud free atmosphere slightly above 70 Wm-2 is fairly robust. In comparison, the global mean solar absorption under all sky conditions was estimated in Wild et al. (2015) at 80 Wm-2 based on the same approach. The difference between the all- and clear-sky absorption represents the cloud radiative effect on the atmospheric absorption, and is thus estimated here to be around 8 Wm-2. This is similar in magnitude to the 11 Wm-2 derived by Hakuba et al. (2017) when averaged over the atmospheric cloud effect determined at 36 BSRN station. We applied the same methodology also for the longwave fluxes. Thereby we obtained a best estimate for the global mean clear sky downward longwave flux at the Earth surface of 214 Wm-2. Together with a surface and TOA upward longwave flux of 398 Wm-2 and 266 Wm-2, respectively, this leaves an atmospheric longwave divergence under clear sky conditions of 182 Wm-2. Selected related references: Hakuba, M. Z., Folini, D., Wild, M., Long, C. N., Schaepman-Strub, G., and Stephens, G.L., 2017: Cloud Effects on Atmospheric Solar Absorption in Light of Most Recent Surface and Satellite Measurements. AIP Conf. Proc. (in press). Ott, P., 2017: Master Thesis at ETH Zurich (in prep.). Wild, M., Ohmura, A., Gilgen, H., and Roeckner, E., 1995: Validation of GCM simulated radiative fluxes using surface observations. J. Climate, 8, 1309-1324. Wild, M., Long, C.N., and Ohmura, A., 2006: Evaluation of clear-sky solar fluxes in GCMs participating in AMIP and IPCC-AR4 from a surface perspective. J. Geophys. Res., 111, D01104, doi:10.1029/2005JD006118. Wild, M., Folini, D., Schär, C., Loeb, N., Dutton, E.G., and König-Langlo, G., 2013: The global energy balance from a surface perspective. Climate Dynamics, 40, 3107-3134. Wild, M., Folini, D., Hakuba, M., Schär, C., Seneviratne, S.I., Kato, S., Rutan, D., Ammann, C., Wood, E.F., and König-Langlo, G., 2015: The energy balance over land and oceans: An assessment based on direct observations and CMIP5 climate models, Climate Dynamics, 3393-3429, 44, DOI 10.1007/s00382-014-2430-z.

Nonlinear and linear wave equations for propagation in media with frequency power law losses

NASA Astrophysics Data System (ADS)

Szabo, Thomas L.

2003-10-01

The Burgers, KZK, and Westervelt wave equations used for simulating wave propagation in nonlinear media are based on absorption that has a quadratic dependence on frequency. Unfortunately, most lossy media, such as tissue, follow a more general frequency power law. The authors first research involved measurements of loss and dispersion associated with a modification to Blackstock's solution to the linear thermoviscous wave equation [J. Acoust. Soc. Am. 41, 1312 (1967)]. A second paper by Blackstock [J. Acoust. Soc. Am. 77, 2050 (1985)] showed the loss term in the Burgers equation for plane waves could be modified for other known instances of loss. The authors' work eventually led to comprehensive time-domain convolutional operators that accounted for both dispersion and general frequency power law absorption [Szabo, J. Acoust. Soc. Am. 96, 491 (1994)]. Versions of appropriate loss terms were developed to extend the standard three nonlinear wave equations to these more general losses. Extensive experimental data has verified the predicted phase velocity dispersion for different power exponents for the linear case. Other groups are now working on methods suitable for solving wave equations numerically for these types of loss directly in the time domain for both linear and nonlinear media.

Formation of organized nanostructures from unstable bilayers of thin metallic liquids

NASA Astrophysics Data System (ADS)

Khenner, Mikhail; Yadavali, Sagar; Kalyanaraman, Ramki

2011-12-01

Dewetting of pulsed-laser irradiated, thin (<20 nm), optically reflective metallic bilayers on an optically transparent substrate with a reflective support layer is studied within the lubrication equations model. A steady-state bilayer film thickness (h) dependent temperature profile is derived based on the mean substrate temperature estimated from the elaborate thermal model of transient heating and melting/freezing. Large thermocapillary forces are observed along the plane of the liquid-liquid and liquid-gas interfaces due to this h-dependent temperature, which, in turn, is strongly influenced by the h-dependent laser light reflection and absorption. Consequently the dewetting is a result of the competition between thermocapillary and intermolecular forces. A linear analysis of the dewetting length scales established that the non-isothermal calculations better predict the experimental results as compared to the isothermal case within the bounding Hamaker coefficients. Subsequently, a computational non-linear dynamics study of the dewetting pathway was performed for Ag/Co and Co/Ag bilayer systems to predict the morphology evolution. We found that the systems evolve towards formation of different morphologies, including core-shell, embedded, or stacked nanostructure morphologies.

Investigations of in vitro bioaccessibility from interesterified stearic and oleic acid-rich blends.

PubMed

Thilakarathna, S H; Rogers, M; Lan, Y; Huynh, S; Marangoni, A G; Robinson, L E; Wright, A J

2016-04-01

Interesterification was previously found to impact stearic acid absorption in a randomized cross-over study, when human volunteers consumed a 70 : 30 wt% high-oleic sunflower and canola stearin blend (NIE) compared to the same blend which had undergone either chemical (CIE) or enzymatic (EIE) interesterification. In this research, in vitro lipid digestion, bioaccessibility, and changes in undigested lipid composition and melting behavior of these same test fats were investigated using the dynamic, multi-compartmental TIM-1 digestion model and compared with the previous human study. Overall, TIM-1 bioaccessibility was higher with interesterification (p < 0.05). Oleic acid bioaccessibility was higher than stearic acid bioaccessibility for NIE, and vice versa for the interesterified blends (p < 0.05). Stearic acid was more concentrated in the undigested triacylglycerols (TAG) from NIE, corresponding to a relatively higher melting temperature of the undigested lipids. The results confirm the impact of TAG composition, fatty acid position and/or physical properties on lipid digestion. TIM-1 bioaccessibility was linearly correlated (R(2) = 0.8640) with postprandial serum TAG concentration in the human study. Therefore, the in vitro digestion model offered predictive insights related to the impacts of lipid interesterificaton on absorption.

Tuning the nonlinear optical absorption in Au/BaTiO3 nanocomposites with gold nanoparticle concentration

NASA Astrophysics Data System (ADS)

Bijeesh, M. M.; Shakhi, P. K.; Varier, Geetha K.; Nandakumar, P.

2018-06-01

We report on the nonlinear optical absorption coefficient of Au/BaTiO3 nanocomposite films and its dependence on gold nanoparticle concentration. Au/BaTiO3 nanocomposite films with different molar ratio of Au/Ba are prepared by sol-gel technique and characterized by X-ray diffraction, UV Visible absorption spectroscopy and high resolution transmission electron microscopy. An open aperture Z-scan technique is employed to study the third order nonlinear optical properties of Au/BaTiO3 thin films. An Nd:YAG laser operating at 532 nm wavelength having a pulse width of 5 ns is used for the measurements. The two-photon absorption coefficient of the films increases linearly with gold nanoparticle concentration and significant enhancement of nonlinear optical absorption is observed. This ability to fine tune the nonlinear optical coefficients of Au/BaTiO3 films would be handy in optical device applications.

Correlation of an infrared absorption with carriers in rare-earth monoantimonides

NASA Astrophysics Data System (ADS)

Kwon, Y. S.; Jung, M. H.; Lee, K. R.; Kimura, S.; Suzuki, T.

1997-09-01

Dielectric constants spectra were obtained in the single crystals LaSb, PrSb, GdSb and DySb at several temperatures. The spectra for these crystals except for LaSb show Drude's behavior with a hump due to an anomalous absorption lying at about 0.25 eV. The inverse of effective electron number ( NIA) of the absorption is linear in temperature, and the NIA at each temperature is dependent on the square of the effective Bohr magneton of each rare-earth ion. The sum of the number of effective electrons due to Drude adsorption and that due to infrared absorption agree well with the number of carriers obtained from their band calculations or their dHvAs. Therefore, this absorption seems to be due to the intraband transition induced by the scattering between the spin of carriers and the localized magnetic moments at each site of rare-earth ion.

Two-photon absorption measurements of deep UV transmissible materials at 213  nm.

PubMed

Patankar, S; Yang, S T; Moody, J D; Swadling, G F; Erlandson, A C; Bayramian, A J; Barker, D; Datte, P; Acree, R L; Pepmeier, B; Madden, R E; Borden, M R; Ross, J S

2017-10-20

We report on two-photon absorption measurements at 213 nm of deep UV transmissible media, including LiF, MgF 2 , CaF 2 , BaF 2 , sapphire (Al 2 O 3 ), and high-purity grades of fused-silica (SiO 2 ). A high-stability 24 ps Nd:YAG laser operating at the 5th harmonic (213 nm) was used to generate a high-intensity, long-Rayleigh-length Gaussian focus inside the samples. The measurements of the fluoride crystals and sapphire indicate two-photon absorption coefficients between 0.004 and 0.82 cm/GW. We find that different grades of fused silica performed near identically for two-photon absorption; however, there are differences in linear losses associated with purity. A low two-photon absorption cross section is measured for MgF 2 , making it an ideal material for the propagation of high-intensity deep UV lasers.

Depth Resolution Dependence on Sample Thickness and Incident Energy in On-Axis Transmission Kikuchi Diffraction in Scanning Electron Microscope (SEM).

PubMed

Brodu, Etienne; Bouzy, Emmanuel

2017-12-01

Transmission Kikuchi diffraction is an emerging technique aimed at producing orientation maps of the structure of materials with a nanometric lateral resolution. This study investigates experimentally the depth resolution of the on-axis configuration, via a twinned silicon bi-crystal sample specifically designed and fabricated. The measured depth resolution varies from 30 to 65 nm in the range 10-30 keV, with a close to linear dependence with incident energy and no dependence with the total sample thickness. The depth resolution is explained in terms of two mechanisms acting concomitantly: generation of Kikuchi diffraction all along the thickness of the sample, associated with continuous absorption on the way out. A model based on the electron mean free path is used to account for the dependence with incident energy of the depth resolution. In addition, based on the results in silicon, the use of the mean absorption coefficient is proposed to predict the depth resolution for any atomic number and incident energy.

Dynamic perturbation effects upon the circular dichroism intensity induced in an aggregate of dye chromophores bound to biopolymers

NASA Astrophysics Data System (ADS)

Kamiya, Mamoru

1980-11-01

The dynamic perturbation effects of polarizable monomer perturbers upon the circular dichroism intensity arising from absorption transitions of an arbitrary aggregate of dye chromophores bound to a large host polymer are formulated using the linear response theory in the decorrelation approximation, where the interchromophoric retardation phase factors are eliminated by a first-order Taylor expansion which is compatible with the use of the retarded helix selection rules in the long-wavelength approximation. A space-averaged and closed-form formulation of the non-conservative circular dichroism intensity which is perturbed by intensity with the outside perturber transitions is derived in the limit of the weak dynamic perturbation where perturber—perturber interactions are negligible. The relevant formulation is applied in order to investigate the intercalation model dependence of the non-conservative circular dichroism intensity induced at the visible absorption band of proflavine molecules intercalated in either poly(A—T) or poly(G—C).

Influence of image charge effect on impurity-related optical absorption coefficients and refractive index changes in a spherical quantum dot

NASA Astrophysics Data System (ADS)

Vartanian, A. L.; Asatryan, A. L.; Vardanyan, L. A.

2017-03-01

We have investigated the influence of an image charge effect (ICE) on the energies of the ground and first few excited states of a hydrogen-like impurity in a spherical quantum dot (QD) in the presence of an external electric field. The oscillator strengths of transitions from the 1 s -like state to excited states of 2px and 2pz symmetries are calculated as the functions of the strengths of the confinement potential and the electric field. Also, we have studied the effect of image charges on linear and third-order nonlinear optical absorption coefficients and refractive index changes (RICs). The results show that image charges lead to the decrease of energies for all the hydrogen-like states, to the significant enhancement of the oscillator strengths of transitions between the impurity states, and to comparatively large blue shifts in linear, nonlinear, and total absorption coefficients and refractive index changes. Our results indicate that the total optical characteristics can be controlled by the strength of the confinement and the electric field.

Propagation of ultrashort laser pulses in water: linear absorption and onset of nonlinear spectral transformation.

PubMed

Sokolov, Alexei V; Naveira, Lucas M; Poudel, Milan P; Strohaber, James; Trendafilova, Cynthia S; Buck, William C; Wang, Jieyu; Strycker, Benjamin D; Wang, Chao; Schuessler, Hans; Kolomenskii, Alexandre; Kattawar, George W

2010-01-20

We study propagation of short laser pulses through water and use a spectral hole filling technique to essentially perform a sensitive balanced comparison of absorption coefficients for pulses of different duration. This study is motivated by an alleged violation of the Bouguer-Lambert-Beer law at low light intensities, where the pulse propagation is expected to be linear, and by a possible observation of femtosecond optical precursors in water. We find that at low intensities, absorption of laser light is determined solely by its spectrum and does not directly depend on the pulse duration, in agreement with our earlier work and in contradiction to some work of others. However, as the laser fluence is increased, interaction of light with water becomes nonlinear, causing energy exchange among the pulse's spectral components and resulting in peak-intensity dependent (and therefore pulse-duration dependent) transmission. For 30 fs pulses at 800 nm center wavelength, we determine the onset of nonlinear propagation effects to occur at a peak value of about 0.12 mJ/cm(2) of input laser energy fluence.

Linear and nonlinear magneto-optical properties of monolayer phosphorene

NASA Astrophysics Data System (ADS)

Nguyen, Chuong V.; Ngoc Hieu, Nguyen; Duque, C. A.; Quoc Khoa, Doan; Van Hieu, Nguyen; Van Tung, Luong; Vinh Phuc, Huynh

2017-01-01

We theoretically study the magneto-optical properties of monolayer phosphorene under a perpendicular magnetic field. We evaluate linear, third-order nonlinear, and total absorption coefficients and relative refractive index changes as functions of the photon energy and the magnetic field, and show that they are strongly influenced by the magnetic field. The magneto-optical absorption coefficients and relative refractive index changes appear in two different regimes: the microwave to THz and the visible frequency. The amplitude of intra-band transition peaks is larger than that of the inter-band transitions. The resonant peaks are blue-shifted with the magnetic field. Our results demonstrate the potential of monolayer phosphorene as a new two-dimensional material for applications in nano-electronic and optical devices as a promising alternative to graphene.

Regularized iterative integration combined with non-linear diffusion filtering for phase-contrast x-ray computed tomography.

PubMed

Burger, Karin; Koehler, Thomas; Chabior, Michael; Allner, Sebastian; Marschner, Mathias; Fehringer, Andreas; Willner, Marian; Pfeiffer, Franz; Noël, Peter

2014-12-29

Phase-contrast x-ray computed tomography has a high potential to become clinically implemented because of its complementarity to conventional absorption-contrast.In this study, we investigate noise-reducing but resolution-preserving analytical reconstruction methods to improve differential phase-contrast imaging. We apply the non-linear Perona-Malik filter on phase-contrast data prior or post filtered backprojected reconstruction. Secondly, the Hilbert kernel is replaced by regularized iterative integration followed by ramp filtered backprojection as used for absorption-contrast imaging. Combining the Perona-Malik filter with this integration algorithm allows to successfully reveal relevant sample features, quantitatively confirmed by significantly increased structural similarity indices and contrast-to-noise ratios. With this concept, phase-contrast imaging can be performed at considerably lower dose.

Influence of microarchitecture alterations on ultrasonic backscattering in an experimental simulation of bovine cancellous bone aging.

PubMed

Apostolopoulos, K N; Deligianni, D D

2008-02-01

An experimental model which can simulate physical changes that occur during aging was developed in order to evaluate the effects of change of mineral content and microstructure on ultrasonic properties of bovine cancellous bone. Timed immersion in hydrochloric acid was used to selectively alter the mineral content. Scanning electron microscopy and histological staining of the acid-treated trabeculae demonstrated a heterogeneous structure consisting of a mineralized core and a demineralized layer. The presence of organic matrix contributed very little to normalized broadband ultrasound attenuation (nBUA) and speed of sound. All three ultrasonic parameters, speed of sound, nBUA and backscatter coefficient, were sensitive to changes in apparent density of bovine cancellous bone. A two-component model utilizing a combination of two autocorrelation functions (a densely populated model and a spherical distribution) was used to approximate the backscatter coefficient. The predicted attenuation due to scattering constituted a significant part of the measured total attenuation (due to both scattering and absorption mechanisms) for bovine cancellous bone. Linear regression, performed between trabecular thickness values and estimated from the model correlation lengths, showed significant linear correlation, with R(2)=0.81 before and R(2)=0.80 after demineralization. The accuracy of estimation was found to increase with trabecular thickness.

Innovative energy absorbing devices based on composite tubes

NASA Astrophysics Data System (ADS)

Tiwari, Chandrashekhar

Analytical and experimental study of innovative load limiting and energy absorbing devices are presented here. The devices are based on composite tubes and can be categorized in to two groups based upon the energy absorbing mechanisms exhibited by them, namely: foam crushing and foam fracturing. The device based on foam crushing as the energy absorbing mechanism is composed of light weight elastic-plastic foam filling inside an angle ply composite tube. The tube is tailored to have a high Poisson’s ratio (>20). Upon being loaded the device experiences large transverse contraction resulting in rapid decrease in diameter. At a certain axial load the foam core begins to crush and energy is dissipated. This device is termed as crush tube device. The device based upon foam shear fracture as the energy absorbing mechanism involves an elastic-plastic core foam in annulus of two concentric extension-twist coupled composite tubes with opposite angles of fibers. The core foam is bonded to the inner and outer tube walls. Upon being loaded axially, the tubes twist in opposite directions and fracture the core foam in out of plane shear and thus dissipate the energy stored. The device is termed as sandwich core device (SCD). The devices exhibit variations in force-displacement characteristics with changes in design and material parameters, resulting in wide range of energy absorption capabilities. A flexible matrix composite system was selected, which was composed of high stiffness carbon fibers as reinforcements in relatively low stiffness polyurethane matrix, based upon large strain to failure capabilities and large beneficial elastic couplings. Linear and non-linear analytical models were developed encapsulating large deformation theory of the laminated composite shells (using non-linear strain energy formulation) to the fracture mechanics of core foam and elastic-plastic deformation theory of the foam filling. The non-linear model is capable of including material and geometric nonlinearities that arise from large deformation and fiber reorientation. Developed non-linear analysis predicts the behavior of extension-twist coupled and angle ply flexible matrix composite tubes under multi-axial loadings. The predicted results show close correlation with experimental findings. It was also found that these devices exhibit variations with respect to rate of loading. It was found that the novel energy absorbing devices are capable of providing 4-5 times higher specific energy absorption (SEA) than currently used devices for similar purposes (such as wire bender which has SEA of 3.6 J/g).

Scanning imaging absorption spectrometer for atmospheric chartography

NASA Technical Reports Server (NTRS)

Burrows, John P.; Chance, Kelly V.

1991-01-01

The SCanning Imaging Absorption SpectroMeter for Atmospheric CHartographY is an instrument which measures backscattered, reflected, and transmitted light from the earth's atmosphere and surface. SCIAMACHY has eight spectral channels which observe simultaneously the spectral region between 240 and 1700 nm and selected windows between 1940 and 2400 nm. Each spectral channel contains a grating and linear diode array detector. SCIAMACHY observes the atmosphere in nadir, limb, and solar and lunar occultation viewing geometries.

Birge-Sponer Estimation of the C-H Bond Dissociation Energy in Chloroform Using Infrared, Near-Infrared, and Visible Absorption Spectroscopy: An Experiment in Physical Chemistry

ERIC Educational Resources Information Center

Myrick, M. L.; Greer, A. E.; Nieuwland, A. A.; Priore, R. J.; Scaffidi, J.; Andreatta, Danielle; Colavita, Paula

2008-01-01

The fundamental and overtone vibrational absorption spectroscopy of the C-H unit in CHCl[subscript 3] is measured for transitions from the v = 0 energy level to v = 1 through v = 5 energy levels. The energies of the transitions exhibit a linearly-decreasing spacing between adjacent vibrational levels as the vibrational quantum number increases.…

The capability of fluoroscopic systems to determine differential Roentgen-ray absorption

NASA Technical Reports Server (NTRS)

Baily, N. A.; Crepeau, R. L.

1975-01-01

A clinical fluoroscopic unit used in conjunction with a TV image digitization system was investigated to determine its capability to evaluate differential absorption between two areas in the same field. Fractional contrasts and minimum detectability for air, several concentrations of Renografin-60, and aluminum were studied using phantoms of various thicknesses. Results showed that the videometric response, when treated as contrast, shows a linear response with absorber thickness up to considerable thicknesses.

Modelling the light absorption coefficients of oceanic waters: Implications for underwater optical applications

NASA Astrophysics Data System (ADS)

Prabhakaran, Sai Shri; Sahu, Sanjay Kumar; Dev, Pravin Jeba; Shanmugam, Palanisamy

2018-05-01

Spectral absorption coefficients of particulate (algal and non-algal components) and dissolved substances are modelled and combined with the pure seawater component to determine the total light absorption coefficients of seawater in the Bay of Bengal. Two parameters namely chlorophyll-a (Chl) concentration and turbidity were measured using commercially available instruments with high sampling rates. For modelling the light absorption coefficients of oceanic waters, the measured data are classified into two broad groups - algal dominant and non-algal particle (NAP) dominant. With these criteria the individual absorption coefficients of phytoplankton and NAP were established based on their concentrations using an iterative method. To account for the spectral dependence of absorption by phytoplankton, the wavelength-dependent coefficients were introduced into the model. The CDOM absorption was determined by subtracting the individual absorption coefficients of phytoplankton and NAP from the measured total absorption data and then related to the Chl concentration. Validity of the model is assessed based on independent in-situ data from certain discrete locations in the Bay of Bengal. The total absorption coefficients estimated using the new model by considering the contributions of algal, non-algal and CDOM have good agreement with the measured total absorption data with the error range of 6.9 to 28.3%. Results obtained by the present model are important for predicting the propagation of the radiant energy within the ocean and interpreting remote sensing observation data.

Permeability, transport, and metabolism of solutes in Caco-2 cell monolayers: a theoretical study.

PubMed

Sun, Huadong; Pang, K Sandy

2008-01-01

We explored the properties of a catenary model that includes the basolateral (B), apical (A), and cellular compartments via simulations under linear and nonlinear conditions to understand the asymmetric observations arising from transporters, enzymes, and permeability in Caco-2 cells. The efflux ratio (EfR; P(app,B-->A)/P(app,A-->B)), obtained from the effective permeability from the A-->B and B-->A direction under linear conditions, was unity for passively permeable drugs whose transport does not involve transporters; the value was unaffected by cellular binding or metabolism, but increased with apical efflux. Metabolism was asymmetric, showing lesser metabolite accrual for the B-->A than A-->B direction because of inherent differences in the volumes for A and B. Moreover, the net flux (total - passive permeation) due to saturable apical efflux, absorption, or metabolism showed nonconformity to simple Michaelis-Menten kinetics against C(D,0), the loading donor concentration. EfR values differed with saturable apical efflux and metabolism (>1), as well as apical absorption (EfRs <1), but approached unity with high passive diffusive clearance (CL(d)) and increasing C(D,0) at a higher degree of saturation of the process. The J(max) (apparent V(max) estimated for the carrier system) and K(m)(') [or the K(m)('') based on a modified equation with the Hill coefficient (beta)] estimates from the Eadie-Hofstee plot revealed spurious correlations with the assigned V(max) and K(m). The sampling time, CL(d), and parameter space of K(m) and V(max) strongly influenced both the correlation and accuracy of estimates. Improved correlation was found for compounds with high CL(d). These observations showed that the catenary model is appropriate in the description of transport and metabolic data in Caco-2 cells.

Light output measurements and computational models of microcolumnar CsI scintillators for x-ray imaging.

PubMed

Nillius, Peter; Klamra, Wlodek; Sibczynski, Pawel; Sharma, Diksha; Danielsson, Mats; Badano, Aldo

2015-02-01

The authors report on measurements of light output and spatial resolution of microcolumnar CsI:Tl scintillator detectors for x-ray imaging. In addition, the authors discuss the results of simulations aimed at analyzing the results of synchrotron and sealed-source exposures with respect to the contributions of light transport to the total light output. The authors measured light output from a 490-μm CsI:Tl scintillator screen using two setups. First, the authors used a photomultiplier tube (PMT) to measure the response of the scintillator to sealed-source exposures. Second, the authors performed imaging experiments with a 27-keV monoenergetic synchrotron beam and a slit to calculate the total signal generated in terms of optical photons per keV. The results of both methods are compared to simulations obtained with hybridmantis, a coupled x-ray, electron, and optical photon Monte Carlo transport package. The authors report line response (LR) and light output for a range of linear absorption coefficients and describe a model that fits at the same time the light output and the blur measurements. Comparing the experimental results with the simulations, the authors obtained an estimate of the absorption coefficient for the model that provides good agreement with the experimentally measured LR. Finally, the authors report light output simulation results and their dependence on scintillator thickness and reflectivity of the backing surface. The slit images from the synchrotron were analyzed to obtain a total light output of 48 keV -1 while measurements using the fast PMT instrument setup and sealed-sources reported a light output of 28 keV -1 . The authors attribute the difference in light output estimates between the two methods to the difference in time constants between the camera and PMT measurements. Simulation structures were designed to match the light output measured with the camera while providing good agreement with the measured LR resulting in a bulk absorption coefficient of 5 × 10 -5 μm -1 . The combination of experimental measurements for microcolumnar CsI:Tl scintillators using sealed-sources and synchrotron exposures with results obtained via simulation suggests that the time course of the emission might play a role in experimental estimates. The procedure yielded an experimentally derived linear absorption coefficient for microcolumnar Cs:Tl of 5 × 10 -5 μm -1 . To the author's knowledge, this is the first time this parameter has been validated against experimental observations. The measurements also offer insight into the relative role of optical transport on the effective optical yield of the scintillator with microcolumnar structure. © 2015 American Association of Physicists in Medicine.

Light output measurements and computational models of microcolumnar CsI scintillators for x-ray imaging.

PubMed

Nillius, Peter; Klamra, Wlodek; Sibczynski, Pawel; Sharma, Diksha; Danielsson, Mats; Badano, Aldo

2015-02-01

The authors report on measurements of light output and spatial resolution of microcolumnar CsI:Tl scintillator detectors for x-ray imaging. In addition, the authors discuss the results of simulations aimed at analyzing the results of synchrotron and sealed-source exposures with respect to the contributions of light transport to the total light output. The authors measured light output from a 490-μm CsI:Tl scintillator screen using two setups. First, the authors used a photomultiplier tube (PMT) to measure the response of the scintillator to sealed-source exposures. Second, the authors performed imaging experiments with a 27-keV monoenergetic synchrotron beam and a slit to calculate the total signal generated in terms of optical photons per keV. The results of both methods are compared to simulations obtained with hybridmantis, a coupled x-ray, electron, and optical photon Monte Carlo transport package. The authors report line response (LR) and light output for a range of linear absorption coefficients and describe a model that fits at the same time the light output and the blur measurements. Comparing the experimental results with the simulations, the authors obtained an estimate of the absorption coefficient for the model that provides good agreement with the experimentally measured LR. Finally, the authors report light output simulation results and their dependence on scintillator thickness and reflectivity of the backing surface. The slit images from the synchrotron were analyzed to obtain a total light output of 48 keV−1 while measurements using the fast PMT instrument setup and sealed-sources reported a light output of 28 keV−1. The authors attribute the difference in light output estimates between the two methods to the difference in time constants between the camera and PMT measurements. Simulation structures were designed to match the light output measured with the camera while providing good agreement with the measured LR resulting in a bulk absorption coefficient of 5 × 10−5μm−1. The combination of experimental measurements for microcolumnar CsI:Tl scintillators using sealed-sources and synchrotron exposures with results obtained via simulation suggests that the time course of the emission might play a role in experimental estimates. The procedure yielded an experimentally derived linear absorption coefficient for microcolumnar Cs:Tl of 5 × 10−5μm−1. To the author’s knowledge, this is the first time this parameter has been validated against experimental observations. The measurements also offer insight into the relative role of optical transport on the effective optical yield of the scintillator with microcolumnar structure.

Food, gastrointestinal pH, and models of oral drug absorption.

PubMed

Abuhelwa, Ahmad Y; Williams, Desmond B; Upton, Richard N; Foster, David J R

2017-03-01

This article reviews the major physiological and physicochemical principles of the effect of food and gastrointestinal (GI) pH on the absorption and bioavailability of oral drugs, and the various absorption models that are used to describe/predict oral drug absorption. The rate and extent of oral drug absorption is determined by a complex interaction between a drug's physicochemical properties, GI physiologic factors, and the nature of the formulation administered. GI pH is an important factor that can markedly affect oral drug absorption and bioavailability as it may have significant influence on drug dissolution & solubility, drug release, drug stability, and intestinal permeability. Different regions of the GI tract have different drug absorptive properties. Thus, the transit time in each GI region and its variability between subjects may contribute to the variability in the rate and/or extent of drug absorption. Food-drug interactions can result in delayed, decreased, increased, and sometimes un-altered drug absorption. Food effects on oral absorption can be achieved by direct and indirect mechanisms. Various models have been proposed to describe oral absorption ranging from empirical models to the more sophisticated "mechanism-based" models. Through understanding of the physicochemical and physiological rate-limiting factors affecting oral absorption, modellers can implement simplified population-based modelling approaches that are less complex than whole-body physiologically-based models but still capture the essential elements in a physiological way and hence will be more suited for population modelling of large clinical data sets. It will also help formulation scientists to better predict formulation performance and to develop formulations that maximize oral bioavailability. Copyright © 2016 Elsevier B.V. All rights reserved.

X-ray Absorption Spectroscopy Combined with Time-Dependent Density Functional Theory Elucidates Differential Substitution Pathways of Au(I) and Au(III) with Zinc Fingers.

PubMed

Abbehausen, Camilla; de Paiva, Raphael Enoque Ferraz; Bjornsson, Ragnar; Gomes, Saulo Quintana; Du, Zhifeng; Corbi, Pedro Paulo; Lima, Frederico Alves; Farrell, Nicholas

2018-01-02

A combination of two elements' (Au, Zn) X-ray absorption spectroscopy (XAS) and time-dependent density functional theory (TD-DFT) allowed the elucidation of differential substitution pathways of Au(I) and Au(III) compounds reacting with biologically relevant zinc fingers (ZnFs). Gold L 3 -edge XAS probed the interaction of gold and the C-terminal Cys 2 HisCys finger of the HIV-1 nucleocapsid protein NCp7, and the Cys 2 His 2 human transcription factor Sp1. The use of model compounds helped assign oxidation states and the identity of the gold-bound ligands. The computational studies accurately reproduced the experimental XAS spectra and allowed the proposition of structural models for the interaction products at early time points. The direct electrophilic attack on the ZnF by the highly thiophilic Au(I) resulted in a linear P-Au-Cys coordination sphere after zinc ejection whereas for the Sp1, loss of PEt 3 results in linear Cys-Au-Cys or Cys-Au-His arrangements. Reactions with Au(III) compounds, on the other hand, showed multiple binding modes. Prompt reaction between [AuCl(dien)] 2+ and [Au(dien)(DMAP)] 3+ with Sp1 showed a partially reduced Au center and a final linear His-Au-His coordination. Differently, in the presence of NCp7, [AuCl(dien)] 2+ readily reduces to Au(I) and changes from square-planar to linear geometry with Cys-Au-His coordination, while [Au(dien)(DMAP)] 3+ initially maintains its Au(III) oxidation state and square-planar geometry and the same first coordination sphere. The latter is the first observation of a "noncovalent" interaction of a Au(III) complex with a zinc finger and confirms early hypotheses that stabilization of Au(III) occurs with N-donor ligands. Modification of the zinc coordination sphere, suggesting full or partial zinc ejection, is observed in all cases, and for [Au(dien)(DMAP)] 3+ this represents a novel mechanism for nucleocapsid inactivation. The combination of XAS and TD-DFT presents the first direct experimental observation that not only compound reactivity, but also ZnF core specificity, can be modulated on the basis of the coordination sphere of Au(III) compounds.

Surface and Atmospheric Parameter Retrieval From AVIRIS Data: The Importance of Non-Linear Effects

NASA Technical Reports Server (NTRS)

Green Robert O.; Moreno, Jose F.

1996-01-01

AVIRIS data represent a new and important approach for the retrieval of atmospheric and surface parameters from optical remote sensing data. Not only as a test for future space systems, but also as an operational airborne remote sensing system, the development of algorithms to retrieve information from AVIRIS data is an important step to these new approaches and capabilities. Many things have been learned since AVIRIS became operational, and the successive technical improvements in the hardware and the more sophisticated calibration techniques employed have increased the quality of the data to the point of almost meeting optimum user requirements. However, the potential capabilities of imaging spectrometry over the standard multispectral techniques have still not been fully demonstrated. Reasons for this are the technical difficulties in handling the data, the critical aspect of calibration for advanced retrieval methods, and the lack of proper models with which to invert the measured AVIRIS radiances in all the spectral channels. To achieve the potential of imaging spectrometry, these issues must be addressed. In this paper, an algorithm to retrieve information about both atmospheric and surface parameters from AVIRIS data, by using model inversion techniques, is described. Emphasis is put on the derivation of the model itself as well as proper inversion techniques, robust to noise in the data and an inadequate ability of the model to describe natural variability in the data. The problem of non-linear effects is addressed, as it has been demonstrated to be a major source of error in the numerical values retrieved by more simple, linear-based approaches. Non-linear effects are especially critical for the retrieval of surface parameters where both scattering and absorption effects are coupled, as well as in the cases of significant multiple-scattering contributions. However, sophisticated modeling approaches can handle such non-linear effects, which are especially important over vegetated surfaces. All the data used in this study were acquired during the 1991 Multisensor Airborne Campaign (MAC-Europe), as part of the European Field Experiment on a Desertification-threatened Area (EFEDA), carried out in Spain in June-July 1991.

Nonlinear absorption dynamics using field-induced surface hopping: zinc porphyrin in water.

PubMed

Röhr, Merle I S; Petersen, Jens; Wohlgemuth, Matthias; Bonačić-Koutecký, Vlasta; Mitrić, Roland

2013-05-10

We wish to present the application of our field-induced surface-hopping (FISH) method to simulate nonlinear absorption dynamics induced by strong nonresonant laser fields. We provide a systematic comparison of the FISH approach with exact quantum dynamics simulations on a multistate model system and demonstrate that FISH allows for accurate simulations of nonlinear excitation processes including multiphoton electronic transitions. In particular, two different approaches for simulating two-photon transitions are compared. The first approach is essentially exact and involves the solution of the time-dependent Schrödinger equation in an extended manifold of excited states, while in the second one only transiently populated nonessential states are replaced by an effective quadratic coupling term, and dynamics is performed in a considerably smaller manifold of states. We illustrate the applicability of our method to complex molecular systems by simulating the linear and nonlinear laser-driven dynamics in zinc (Zn) porphyrin in the gas phase and in water. For this purpose, the FISH approach is connected with the quantum mechanical-molecular mechanical approach (QM/MM) which is generally applicable to large classes of complex systems. Our findings that multiphoton absorption and dynamics increase the population of higher excited states of Zn porphyrin in the nonlinear regime, in particular in solution, provides a means for manipulating excited-state properties, such as transient absorption dynamics and electronic relaxation. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Composition of the Iapetus Dark Material, Hyperion and Phoebe

NASA Astrophysics Data System (ADS)

Stockstill, K. R.; Larson, S. M.; Vilas, F.; Gaffey, M. J.

1996-09-01

A linear mixing model has been used to separate the high-resolution visible/near-infrared reflectance spectrum of the Iapetus dark material from spectra of the leading and trailing sides of Iapetus. A distinct absorption feature centered at 0.67 mu m is apparent in the spectrum. A slight inflection covering 0.4 to 0.6 mu m and a change in slope near 0.73 mu m suggesting the lower wavelength edge of an absorption are also present. These absorption features are attributed to (6) A1 -> (4) T2(G) and (6) A1 -> (4) T1(G) charge transfer transitions in minerals such as goethite and hematite that are products of the aqueous alteration of anhydrous silicates. We confirm the strong, positive spectral slope attributed to organic material. Broadband photometry of Phoebe using ECAS filters was acquired on four nights in 1982 (Tholen and Zellner, Icarus, 1983). On two nights covering the same side of Phoebe, the photometry tested positively for an absorption feature centered at 0.7 mu m due to oxidized iron in phyllosilicates. The opposite side of Phoebe was covered by the other two observations. The spectral difference between two opposite sides of Phoebe suggests that an impact fragmented Phoebe's parent body, producing Phoebe at the junction of two different compositional units. High resolution reflectance spectra have been obtained of the Saturnian satellites Phoebe and Hyperion, the main candidates for a circumsaturnian origin of the Iapetus dark material. These will be discussed.

On The Dynamics and Design of a Two-body Wave Energy Converter

NASA Astrophysics Data System (ADS)

Liang, Changwei; Zuo, Lei

2016-09-01

A two-body wave energy converter oscillating in heave is studied in this paper. The energy is extracted through the relative motion between the floating and submerged bodies. A linearized model in the frequency domain is adopted to study the dynamics of such a two-body system with consideration of both the viscous damping and the hydrodynamic damping. The closed form solution of the maximum absorption power and corresponding power take-off parameters are obtained. The suboptimal and optimal designs for a two-body system are proposed based on the closed form solution. The physical insight of the optimal design is to have one of the damped natural frequencies of the two body system the same as, or as close as possible to, the excitation frequency. A case study is conducted to investigate the influence of the submerged body on the absorption power of a two-body system subjected to suboptimal and optimal design under regular and irregular wave excitations. It is found that the absorption power of the two-body system can be significantly higher than that of the single body system with the same floating buoy in both regular and irregular waves. In regular waves, it is found that the mass of the submerged body should be designed with an optimal value in order to achieve the maximum absorption power for the given floating buoy. The viscous damping on the submerged body should be as small as possible for a given mass in both regular and irregular waves.

Inversion of In Situ Light Absorption and Attenuation Measurements to Estimate Constituent Concentrations in Optically Complex Shelf Seas

NASA Astrophysics Data System (ADS)

Ramírez-Pérez, M.; Twardowski, M.; Trees, C.; Piera, J.; McKee, D.

2018-01-01

A deconvolution approach is presented to use spectral light absorption and attenuation data to estimate the concentration of the major nonwater compounds in complex shelf sea waters. The inversion procedure requires knowledge of local material-specific inherent optical properties (SIOPs) which are determined from natural samples using a bio-optical model that differentiates between Case I and Case II waters and uses least squares linear regression analysis to provide optimal SIOP values. A synthetic data set is used to demonstrate that the approach is fundamentally consistent and to test the sensitivity to injection of controlled levels of artificial noise into the input data. Self-consistency of the approach is further demonstrated by application to field data collected in the Ligurian Sea, with chlorophyll (Chl), the nonbiogenic component of total suspended solids (TSSnd), and colored dissolved organic material (CDOM) retrieved with RMSE of 0.61 mg m-3, 0.35 g m-3, and 0.02 m-1, respectively. The utility of the approach is finally demonstrated by application to depth profiles of in situ absorption and attenuation data resulting in profiles of optically significant constituents with associated error bar estimates. The advantages of this procedure lie in the simple input requirements, the avoidance of error amplification, full exploitation of the available spectral information from both absorption and attenuation channels, and the reasonably successful retrieval of constituent concentrations in an optically complex shelf sea.

Differential optical absorption spectrometer for measurement of tropospheric pollutants

NASA Astrophysics Data System (ADS)

Evangelisti, F.; Baroncelli, A.; Bonasoni, P.; Giovanelli, G.; Ravegnani, F.

1995-05-01

Our institute has recently developed a differential optical absorption spectrometry system called the gas analyzer spectrometer correlating optical absorption differences (GASCOAD), which features as a detector a linear image sensor that uses an artificial light source for long-path tropospheric-pollution monitoring. The GASCOAD, its method of eliminating interference from background sky light, and subsequent spectral analysis are reported and discussed. The spectrometer was used from 7 to 22 February 1993 in Milan, a heavily polluted metropolitan area, to measure the concentrations of SO2, NO2, O3, and HNO2 averaged over a 1.7-km horizontal light path. The findings are reported and briefly discussed.

A new chlorophycean nickel hyperaccumulator.

PubMed

Harish; Sundaramoorthy, S; Kumar, Devendra; Vaijapurkar, S G

2008-06-01

Bioremediation of nickel by chlorophycean bioremediator, Chlorococcum hemicolum was investigated. The growth rates at various concentrations of Ni2+ were assessed in terms of protein level and 12 mg L(-1) of the Ni2+ is the tolerance limit (46.76% level of growth kinetics). Absorption/adsorption kinetics was estimated after 240 h of Ni2+ treatments. Absorptions were higher than adsorption with maximum accumulation factor (AF) of 1.37. Ni2+ concentration and absorption were linearly related (r=0.98; p>0.01). Other biochemical parameters like total sugar, chlorophyll and carotenoids were also quantified to correlate the state of metabolism and these exhibited reduction due to heavy metal stress.

Single-Event Effects in High-Frequency Linear Amplifiers: Experiment and Analysis

NASA Astrophysics Data System (ADS)

Zeinolabedinzadeh, Saeed; Ying, Hanbin; Fleetwood, Zachary E.; Roche, Nicolas J.-H.; Khachatrian, Ani; McMorrow, Dale; Buchner, Stephen P.; Warner, Jeffrey H.; Paki-Amouzou, Pauline; Cressler, John D.

2017-01-01

The single-event transient (SET) response of two different silicon-germanium (SiGe) X-band (8-12 GHz) low noise amplifier (LNA) topologies is fully investigated in this paper. The two LNAs were designed and implemented in 130nm SiGe HBT BiCMOS process technology. Two-photon absorption (TPA) laser pulses were utilized to induce transients within various devices in these LNAs. Impulse response theory is identified as a useful tool for predicting the settling behavior of the LNAs subjected to heavy ion strikes. Comprehensive device and circuit level modeling and simulations were performed to accurately simulate the behavior of the circuits under ion strikes. The simulations agree well with TPA measurements. The simulation, modeling and analysis presented in this paper can be applied for any other circuit topologies for SET modeling and prediction.

Experimental validation study of an analytical model of discrete frequency sound propagation in closed-test-section wind tunnels

NASA Technical Reports Server (NTRS)

Mosher, Marianne

1990-01-01

The principal objective is to assess the adequacy of linear acoustic theory with an impedence wall boundary condition to model the detailed sound field of an acoustic source in a duct. Measurements and calculations are compared of a simple acoustic source in a rectangular concrete duct lined with foam on the walls and anechoic end terminations. Measurement of acoustic pressure for twelve wave numbers provides variation in frequency and absorption characteristics of the duct walls. Close to the source, where the interference of wall reflections is minimal, correlation is very good. Away from the source, correlation degrades, especially for the lower frequencies. Sensitivity studies show little effect on the predicted results for changes in impedance boundary condition values, source location, measurement location, temperature, and source model for variations spanning the expected measurement error.

Digestion of fatty acids in ruminants: a meta-analysis of flows and variation factors. 1. Total fatty acids.

PubMed

Schmidely, P; Glasser, F; Doreau, M; Sauvant, D

2008-05-01

A database built from 95 experiments with 303 treatments was used to quantify the ruminal biohydrogenation (BH) of fatty acids (FA), efficiency of microbial protein synthesis (EMPS), duodenal flow and intestinal absorption of total FA and of FA with 12 to 18 C units, in response to variations in dietary FA content, source or technological treatment of fat supplement. Flows of FA were expressed relative to dry matter intake (DMI) to compile data from bovine and ovine species. BH tended to increase curvilinearly with FA intake, whereas dietary FA did not affect EMPS. A linear relationship between FA intake and duodenal flow of total FA was obtained, with a coefficient of 0.75 ± 0.06 g duodenal FA/kg DMI for each g FA intake/kg DMI. Between experiments, positive balances of total FA (intake - duodenum) were related to low EMPS. Relationships between duodenal flows of FA with 12 to 18 C units and their respective intakes were linear, with a coefficient that increased with the number of C units. Duodenal flow of bacterial FA was linearly related to FA intake (coefficient 0.33 ± 0.13), whereas contribution of bacterial lipid to duodenal flow decreased as FA intake increased. For each FA with 12 to 16 C units, prediction of FA absorption from its respective duodenal flow was linear. For total FA and FA with 18 C units, apparent absorption levelled off at high duodenal flows. All these relationships were discussed according to current knowledge on microbial metabolism in the rumen and on the intestinal digestibility of FA in the intestine.

Substituent and solvent effects on the UV/Vis absorption spectra of 5-(4-substituted arylazo)-6-hydroxy-4-methyl-3-cyano-2-pyridones

NASA Astrophysics Data System (ADS)

Ušćumlić, Gordana S.; Mijin, Dusanˇ Z. ˇ; Valentić, Nataša V.; Vajs, Vlatka V.; Sušić, Biljana M.

2004-10-01

Absorption spectra of ten 5-(4-substituted arylazo)-6-hydroxy-4-methyl-3-cyano-2-pyridones have been recorded in fifteen solvents in the range 200-600 nm. The substituents at the phenyl nucleus are as follows: OH, OCH 3, CH 3, C 2H 5, H, Cl, Br, I, COOH and NO 2. The effects of substituents on the absorption spectra of investigated compounds are interpreted by correlation of absorption frequencies with simple Hammett equation. The effects of solvent polarity and solvent/solute hydrogen bonding interactions are analyzed by means of linear solvation energy relationships concept proposed by Kamlet and Taft. The azo-hydrazone tuatomeric equilibration is found to depend upon substituents as well as on solvents.

Probing excitons in transition metal dichalcogenides by Drude-like exciton intraband absorption.

PubMed

Zhao, Siqi; He, Dawei; He, Jiaqi; Zhang, Xinwu; Yi, Lixin; Wang, Yongsheng; Zhao, Hui

2018-05-24

Understanding excitonic dynamics in two-dimensional semiconducting transition metal dichalcogenides is important for developing their optoelectronic applications. Recently, transient absorption techniques based on resonant excitonic absorption have been used to study various aspects of excitonic dynamics in these materials. The transient absorption in such measurements originates from phase-space state filling, bandgap renormalization, or screening effects. Here we report a new method to probe excitonic dynamics based on exciton intraband absorption. In this Drude-like process, probe photons are absorbed by excitons in their intraband excitation to higher energy states, causing a transient absorption signal. Although the magnitude of the transient absorption is lower than that of the resonant techniques, the new method is less restrictive on the selection of probe wavelength, has a larger linear range, and can provide complementary information on photocarrier dynamics. Using the WS2 monolayer and bulk samples as examples, we show that the new method can probe exciton-exciton annihilation at high densities and reveal exciton formation processes. We also found that the exciton intraband absorption cross section of the WS2 monolayer is on the order of 10-18 cm2.

[The Lambert-Beer's law characterization of formal analysis in Terahertz spectrum quantitative testing].

PubMed

Su, Hai-Xia; Zhang, Zhao-Hui; Zhao, Xiao-Yan; Li, Zhi; Yan, Fang; Zhang, Han

2013-12-01

The present paper discusses the Lambert-Beer' s law application in the terahertz spectrum, studies the single amino acid tablet sample (glutamine) and two kinds of amino acids mixture tablet (threonine and cystine) under the condition of different concentrations. Absorbance and absorption coefficient was analyzed in the description of the terahertz optical properties of matter. By comparing absorption coefficient and absorbance value of the single component in the vicinity of 1. 72 THz, we verified the material under two kinds of absorption characterization of quantity of THz wave absorption along with the change in the concentration. Using the index of goodness of fit R , it studied the stand or fall of linear relationship between the terahertz absorption quantity of material and concentration under two kinds of representation. This paper analyzes the two components mixture under two kinds of absorption characterization of quantity of terahertz absorption in 0. 3-2. 6 THz. Using the similarity co- efficient and the estimate concentration error as evaluation index, it has been clear that the absorbance of additivity instead of the absorption coefficient should be used during the terahertz spectrum quantitative test, and the Lambert-Beer's law application in the terahertz wave band was further clarified.

Optical amplification of photothermal therapy with gold nanoparticles and nanoclusters

NASA Astrophysics Data System (ADS)

Khlebtsov, Boris; Zharov, Vladimir; Melnikov, Andrei; Tuchin, Valery; Khlebtsov, Nikolai

2006-10-01

Recently, several groups (Anderson, Halas, Zharov, and their co-workers, 2003; El-Sayed and co-workers, 2006) demonstrated, through pioneering results, the great potential of photothermal (PT) therapy for the selective treatment of cancer cells, bacteria, viruses, and DNA targeted with gold nanospheres, nanoshells, nanorods, and nanosphere clusters. However, the current understanding of the relationship between the nanoparticle/cluster parameters (size, shape, particle/cluster structure, etc) and the efficiency of PT therapy is limited. Here, we report theoretical simulations aimed at finding the optimal single-particle and cluster structures to achieve its maximal absorption, which is crucial for PT therapeutic effects. To characterize the optical amplification in laser-induced thermal effects, we introduce relevant parameters such as the ratio of the absorption cross section to the gold mass of a single-particle structure and absorption amplification, defined as the ratio of cluster absorption to the total absorption of non-interacting particles. We consider the absorption efficiency of single nanoparticles (gold spheres, rods, and silica/gold nanoshells), linear chains, 2D lattice arrays, 3D random volume clusters, and the random aggregated N-particle ensembles on the outer surface of a larger dielectric sphere, which mimic aggregation of nanosphere bioconjugates on or within cancer cells. The cluster particles are bare or biopolymer-coated gold nanospheres. The light absorption of cluster structures is studied by using the generalized multiparticle Mie solution and the T-matrix method. The gold nanoshells with (silica core diameter)/(gold shell thickness) parameters of (50-100)/(3-8) nm and nanorods with minor/major sizes of (15-20)/(50-70) nm are shown to be more efficient PT labels and sensitizers than the equivolume solid single gold spheres. In the case of nanosphere clusters, the interparticle separations and the short linear-chain fragments are the main structural parameters determining the absorption efficiency and its spectral shifting to the red. Although we have not found a noticeable dependence of absorption amplification on the cluster sphere size, 20-40 nm particles are found to be most effective, in accordance with our experimental observations. The long-wavelength absorption efficiency of random clusters increases with the cluster particle number N at small N and reveals a saturation behaviour at N>20.

Comparison of dietary phosphate absorption after single doses of lanthanum carbonate and sevelamer carbonate in healthy volunteers: a balance study.

PubMed

Martin, Patrick; Wang, Phillip; Robinson, Antoine; Poole, Lynne; Dragone, Jeffrey; Smyth, Michael; Pratt, Raymond

2011-05-01

Lanthanum carbonate and sevelamer carbonate are noncalcium phosphate binders used to treat hyperphosphatemia in patients with chronic kidney disease. This is the first study to compare phosphate absorption from a standardized meal ingested with a typical clinical dose of these binders. Randomized open-label crossover study. Healthy volunteers were confined to a clinical research center during 4 study periods. Of 31 volunteers randomly assigned, 19 completed all treatments and 18 were analyzed in the pharmacodynamic set (1 was excluded because of vomiting). Participants were assigned in random order to meal alone, meal plus lanthanum carbonate (1 tablet containing 1,000 mg of elemental lanthanum), and meal plus sevelamer carbonate (three 800-mg tablets). The gastrointestinal tract was cleared, the meal was ingested (± treatment), and rectal effluent was collected. In a fourth period, volunteers repeated the study procedures while fasting. The primary end point, net phosphate absorption, was analyzed using a mixed-effect linear model. Phosphorus content of effluent and duplicate meal samples were measured using inductively coupled plasma-optical emission spectroscopy. The standard meal contained ∼375 mg of phosphate, 75% of which was absorbed (net absorption, 281.7 ± 14.1 mg [adjusted mean ± standard error]). Lanthanum carbonate decreased net phosphate absorption by 45% (net absorption, 156.0 ± 14.2 mg) compared with 21% (net absorption, 221.8 ± 14.1 mg) for sevelamer carbonate (P < 0.001). Lanthanum carbonate bound 135.1 ± 12.3 mg of phosphate, whereas sevelamer carbonate bound 63.2 ± 12.3 mg, a 71.9-mg difference (95% CI, 40.0-103.8; P < 0.001). Per tablet, this equates to 135 mg of phosphate bound with lanthanum carbonate versus 21 mg with sevelamer carbonate. A single-dose study. In healthy volunteers, 1,000 mg of lanthanum carbonate decreased phosphate absorption by 45% compared with a 21% decrease with 2,400 mg of sevelamer carbonate. Copyright © 2011 National Kidney Foundation, Inc. Published by Elsevier Inc. All rights reserved.

Conservative Estimation of Whole-body Average SAR in Infant Model for 0.3-6GHz Far-Field Exposure

NASA Astrophysics Data System (ADS)

Hirata, Akimasa; Nagaya, Yoshio; Ito, Naoki; Fujiwara, Osamu; Nagaoka, Tomoaki; Watanabe, Soichi

From an anatomically-based Japanese model of three-year-old child with a resolution of 1 mm, we developed a nine-month Japanese infant with linear shrink. With these models, we calculated the whole-body average specific absorption rate (WBA-SAR) for plane-wave exposure from 0.1 to 6 GHz. A conservative estimate of the WBA-SAR was also investigated by using three kinds of simple-shaped models: cuboid, ellipsoid and spheroid, whose parameters were determined based on the above three-year-old child model. As a result, the cuboid and ellipsoid were found to provide an overestimate of the WBA-SAR compared to the realistic model, whereas the spheroid does an underestimate. Based on these findings for different body models, we have specified the incident power density required to produce WBA-SAR of 0.08 W/kg, which is the basic restriction for public exposure in the guidelines of International Commission on Non-Ionizing Radiation Protection.

Linking CDOM spectral absorption to dissolved organic carbon concentrations and loadings in boreal estuaries

NASA Astrophysics Data System (ADS)

Asmala, Eero; Stedmon, Colin A.; Thomas, David N.

2012-10-01

The quantity of chromophoric dissolved organic matter (CDOM) and dissolved organic carbon (DOC) in three Finnish estuaries (Karjaanjoki, Kyrönjoki and Kiiminkijoki) was investigated, with respect to predicting DOC concentrations and loadings from spectral CDOM absorption measurements. Altogether 87 samples were collected from three estuarine transects which were studied in three seasons, covering a salinity range between 0 and 6.8, and DOC concentrations from 1572 μmol l-1 in freshwater to 222 μmol l-1 in coastal waters. CDOM absorption coefficient, aCDOM(375) values followed the trend in DOC concentrations across the salinity gradient and ranged from 1.67 to 33.4 m-1. The link between DOC and CDOM was studied using a range of wavelengths and algorithms. Wavelengths between 250 and 270 nm gave the best predictions with single linear regression. Total dissolved iron was found to influence the prediction in wavelengths above 520 nm. Despite significant seasonal and spatial differences in DOC-CDOM models, a universal relationship was tested with an independent data set and found to be robust. DOC and CDOM yields (loading/catchment area) from the catchments ranged from 1.98 to 5.44 g C m-2 yr-1, and 1.67 to 11.5 aCDOM(375) yr-1, respectively.

Dynamical resonance shift and unification of resonances in short-pulse laser-cluster interaction

NASA Astrophysics Data System (ADS)

Mahalik, S. S.; Kundu, M.

2018-06-01

Pronounced maximum absorption of laser light irradiating a rare-gas or metal cluster is widely expected during the linear resonance (LR) when Mie-plasma wavelength λM of electrons equals the laser wavelength λ . On the contrary, by performing molecular dynamics (MD) simulations of an argon cluster irradiated by short 5-fs (FWHM) laser pulses it is revealed that, for a given laser pulse energy and a cluster, at each peak intensity there exists a λ —shifted from the expected λM—that corresponds to a unified dynamical LR at which evolution of the cluster happens through very efficient unification of possible resonances in various stages, including (i) the LR in the initial time of plasma creation, (ii) the LR in the Coulomb expanding phase in the later time, and (iii) anharmonic resonance in the marginally overdense regime for a relatively longer pulse duration, leading to maximum laser absorption accompanied by maximum removal of electrons from cluster and also maximum allowed average charge states for the argon cluster. Increasing the laser intensity, the absorption maxima is found to shift to a higher wavelength in the band of λ ≈(1 -1.5 ) λM than permanently staying at the expected λM. A naive rigid sphere model also corroborates the wavelength shift of the absorption peak as found in MD and unequivocally proves that maximum laser absorption in a cluster happens at a shifted λ in the marginally overdense regime of λ ≈(1 -1.5 ) λM instead of λM of LR. The present study is important for guiding an optimal condition laser-cluster interaction experiment in the short-pulse regime.

Characterization of aerosol scattering and spectral absorption by unique methods: a polar/imaging nephelometer and spectral reflectance measurements of aerosol samples collected on filters

NASA Astrophysics Data System (ADS)

Dolgos, Gergely; Martins, J. Vanderlei; Remer, Lorraine A.; Correia, Alexandre L.; Tabacniks, Manfredo; Lima, Adriana R.

2010-02-01

Characterization of aerosol scattering and absorption properties is essential to accurate radiative transfer calculations in the atmosphere. Applications of this work include remote sensing of aerosols, corrections for aerosol distortions in satellite imagery of the surface, global climate models, and atmospheric beam propagation. Here we demonstrate successful instrument development at the Laboratory for Aerosols, Clouds and Optics at UMBC that better characterizes aerosol scattering phase matrix using an imaging polar nephelometer (LACO-I-Neph) and enables measurement of spectral aerosol absorption from 200 nm to 2500 nm. The LACO-I-Neph measures the scattering phase function from 1.5° to 178.5° scattering angle with sufficient sensitivity to match theoretical expectations of Rayleigh scattering of various gases. Previous measurements either lack a sufficiently wide range of measured scattering angles or their sensitivity is too low and therefore the required sample amount is prohibitively high for in situ measurements. The LACO-I-Neph also returns expected characterization of the linear polarization signal of Rayleigh scattering. Previous work demonstrated the ability of measuring spectral absorption of aerosol particles using a reflectance technique characterization of aerosol samples collected on Nuclepore filters. This first generation methodology yielded absorption measurements from 350 nm to 2500 nm. Here we demonstrate the possibility of extending this wavelength range into the deep UV, to 200 nm. This extended UV region holds much promise in identifying and characterizing aerosol types and species. The second generation, deep UV, procedure requires careful choice of filter substrates. Here the choice of substrates is explored and preliminary results are provided.

Discovery of a complex linearly polarized spectrum of Betelgeuse dominated by depolarization of the continuum

NASA Astrophysics Data System (ADS)

Aurière, M.; López Ariste, A.; Mathias, P.; Lèbre, A.; Josselin, E.; Montargès, M.; Petit, P.; Chiavassa, A.; Paletou, F.; Fabas, N.; Konstantinova-Antova, R.; Donati, J.-F.; Grunhut, J. H.; Wade, G. A.; Herpin, F.; Kervella, P.; Perrin, G.; Tessore, B.

2016-06-01

Context. Betelgeuse is an M supergiant that harbors spots and giant granules at its surface and presents linear polarization of its continuum. Aims: We have previously discovered linear polarization signatures associated with individual lines in the spectra of cool and evolved stars. Here, we investigate whether a similar linearly polarized spectrum exists for Betelgeuse. Methods: We used the spectropolarimeter Narval, combining multiple polarimetric sequences to obtain high signal-to-noise ratio spectra of individual lines, as well as the least-squares deconvolution (LSD) approach, to investigate the presence of an averaged linearly polarized profile for the photospheric lines. Results: We have discovered the existence of a linearly polarized spectrum for Betelgeuse, detecting a rather strong signal (at a few times 10-4 of the continuum intensity level), both in individual lines and in the LSD profiles. Studying its properties and the signal observed for the resonant Na I D lines, we conclude that we are mainly observing depolarization of the continuum by the absorption lines. The linear polarization of the Betelgeuse continuum is due to the anisotropy of the radiation field induced by brightness spots at the surface and Rayleigh scattering in the atmosphere. We have developed a geometrical model to interpret the observed polarization, from which we infer the presence of two brightness spots and their positions on the surface of Betelgeuse. We show that applying the model to each velocity bin along the Stokes Q and U profiles allows the derivation of a map of the bright spots. We use the Narval linear polarization observations of Betelgeuse obtained over a period of 1.4 yr to study the evolution of the spots and of the atmosphere. Conclusions: Our study of the linearly polarized spectrum of Betelgeuse provides a novel method for studying the evolution of brightness spots at its surface and complements quasi-simultaneous observations obtained with PIONIER at the VLTI. Based on observations obtained at the Télescope Bernard Lyot (TBL) at Observatoire du Pic du Midi, CNRS/INSU and Université de Toulouse, France.

Binding affinity toward human prion protein of some anti-prion compounds - Assessment based on QSAR modeling, molecular docking and non-parametric ranking.

PubMed

Kovačević, Strahinja; Karadžić, Milica; Podunavac-Kuzmanović, Sanja; Jevrić, Lidija

2018-01-01

The present study is based on the quantitative structure-activity relationship (QSAR) analysis of binding affinity toward human prion protein (huPrP C ) of quinacrine, pyridine dicarbonitrile, diphenylthiazole and diphenyloxazole analogs applying different linear and non-linear chemometric regression techniques, including univariate linear regression, multiple linear regression, partial least squares regression and artificial neural networks. The QSAR analysis distinguished molecular lipophilicity as an important factor that contributes to the binding affinity. Principal component analysis was used in order to reveal similarities or dissimilarities among the studied compounds. The analysis of in silico absorption, distribution, metabolism, excretion and toxicity (ADMET) parameters was conducted. The ranking of the studied analogs on the basis of their ADMET parameters was done applying the sum of ranking differences, as a relatively new chemometric method. The main aim of the study was to reveal the most important molecular features whose changes lead to the changes in the binding affinities of the studied compounds. Another point of view on the binding affinity of the most promising analogs was established by application of molecular docking analysis. The results of the molecular docking were proven to be in agreement with the experimental outcome. Copyright © 2017 Elsevier B.V. All rights reserved.

Direct optical band gap measurement in polycrystalline semiconductors: A critical look at the Tauc method

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

Dolgonos, Alex; Mason, Thomas O.; Poeppelmeier, Kenneth R., E-mail: krp@northwestern.edu

2016-08-15

The direct optical band gap of semiconductors is traditionally measured by extrapolating the linear region of the square of the absorption curve to the x-axis, and a variation of this method, developed by Tauc, has also been widely used. The application of the Tauc method to crystalline materials is rooted in misconception–and traditional linear extrapolation methods are inappropriate for use on degenerate semiconductors, where the occupation of conduction band energy states cannot be ignored. A new method is proposed for extracting a direct optical band gap from absorption spectra of degenerately-doped bulk semiconductors. This method was applied to pseudo-absorption spectramore » of Sn-doped In{sub 2}O{sub 3} (ITO)—converted from diffuse-reflectance measurements on bulk specimens. The results of this analysis were corroborated by room-temperature photoluminescence excitation measurements, which yielded values of optical band gap and Burstein–Moss shift that are consistent with previous studies on In{sub 2}O{sub 3} single crystals and thin films. - Highlights: • The Tauc method of band gap measurement is re-evaluated for crystalline materials. • Graphical method proposed for extracting optical band gaps from absorption spectra. • The proposed method incorporates an energy broadening term for energy transitions. • Values for ITO were self-consistent between two different measurement methods.« less

Adhesion of Mineral and Soot Aerosols can Strongly Affect their Scattering and Absorption Properties

NASA Technical Reports Server (NTRS)

Mishchenko, Michael I.; Dlugach, Jana M.

2012-01-01

We use the numerically exact superposition T-matrix method to compute the optical cross sections and the Stokes scattering matrix for polydisperse mineral aerosols (modeled as homogeneous spheres) covered with a large number of much smaller soot particles. These results are compared with the Lorenz-Mie results for a uniform external mixture of mineral and soot aerosols. We show that the effect of soot particles adhering to large mineral particles can be to change the extinction and scattering cross sections and the asymmetry parameter quite substantially. The effect on the phase function and degree of linear polarization can be equally significant.

Physico-chemical study of some areas of fundamental significance to biophysics. Annual report, 1975--1976. [Chemistry Dept. , Louisiana State University, Baton Rouge

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

McGlynn, S.P.

1976-05-15

Lists of titles published, symposia attended, laboratory guests, departing personnel, and equipment purchased are presented in the first part of this report. It is to be emphasized that completed work already published is mentioned only by title. Reports are provided for research recently completed or in progress in the following areas: Rydberg spectroscopy, intermediate-coupling model for linear molecules, atomic correlation lines, electronic structure of dicarbonyl compounds, absorption and emission characteristics of highly polar aromatics, valence-bond description of metal--anion interaction, and matrix elements of mono-excited Slater determinants constructed from axial spin-orbitals. (RWR)

Oscillator Strengths and Predissociation Widths for Rydberg Transitions in Carbon Monoxide

NASA Technical Reports Server (NTRS)

Federman, Steven R.; Sheffer, Y.; Eidelsberg, Michele; Lemaire, Jean-Louis; Fillion, Jean-Hugues; Rostas, Francois; Ruiz, J.

2006-01-01

CO is used as a probe of astronomical environments ranging from planetary atmospheres and comets to interstellar clouds and the envelopes surrounding stars near the end of their lives. One of the processes controlling the CO abundance and the ratio of its isotopomers is photodissociation. Accurate oscillator strengths for Rydberg transitions are needed for modeling this process. Absorption bands were analyzed by synthesizing the profiles with codes developed independently in Meudon and Toledo. Each synthetic spectrum was adjusted to match the experimental one in a non-linear least-squares fitting procedure with the band oscillator strength, the line width (instrumental and predissociation.

Zero-field dichroism in the solar chromosphere.

PubMed

Sainz, R Manso; Bueno, J Trujillo

2003-09-12

We explain the linear polarization of the Ca ii infrared triplet observed close to the edge of the solar disk. In particular, we demonstrate that the physical origin of the enigmatic polarizations of the 866.2 and 854.2 nm lines lies in the existence of atomic polarization in their metastable (2)D(3)(/2, 5/2) lower levels, which produces differential absorption of polarization components (dichroism). To this end, we have solved the problem of the generation and transfer of polarized radiation by taking fully into account all the relevant optical pumping mechanisms in multilevel atomic models. We argue that "zero-field" dichroism may be of great diagnostic value in astrophysics.

The Meselson-Stahl Experiment

ERIC Educational Resources Information Center

Szeberenyi, Jozsef

2012-01-01

Terms to be familiar with before you start to solve the test: DNA replication, nitrogen isotopes, density labeling, cesium chloride density gradient centrifugation, ultraviolet absorption, DNA denaturation, circular and linear DNA, superspiralization, superhelical DNA, and template.

Steady-State Linear and Non-linear Optical Spectroscopy of Organic Chromophores and Bio-macromolecules

NASA Astrophysics Data System (ADS)

Marazzi, Marco; Gattuso, Hugo; Monari, Antonio; Assfeld, Xavier

2018-04-01

Bio-macromolecules as DNA, lipid membranes and (poly)peptides are essential compounds at the core of biological systems. The development of techniques and methodologies for their characterization is therefore necessary and of utmost interest, even though difficulties can be experienced due to their intrinsic complex nature. Among these methods, spectroscopies, relying on optical properties are especially important to determine their macromolecular structures and behaviors, as well as the possible interactions and reactivity with external dyes – often drugs or pollutants – that can (photo)sensitize the bio-macromolecule leading to eventual chemical modifications, thus damages. In this review, we will focus on the theoretical simulation of electronic spectroscopies of bio-macromolecules, considering their secondary structure and including their interaction with different kind of (photo)sensitizers. Namely, absorption, emission and electronic circular dichroism (CD) spectra are calculated and compared with the available experimental data. Non-linear properties will be also taken into account by two-photon absorption, a highly promising technique (i) to enhance absorption in the red and infra-red windows and (ii) to enhance spatial resolution. Methodologically, the implications of using implicit and explicit solvent, coupled to quantum and thermal samplings of the phase space, will be addressed. Especially, hybrid quantum mechanics/ molecular mechanics (QM/MM) methods are explored for a comparison with solely QM methods, in order to address the necessity to consider an accurate description of environmental effects on spectroscopic properties of biological systems.

Application of linear multifrequency-grey acceleration to preconditioned Krylov iterations for thermal radiation transport

DOE PAGES

Till, Andrew T.; Warsa, James S.; Morel, Jim E.

2018-06-15

The thermal radiative transfer (TRT) equations comprise a radiation equation coupled to the material internal energy equation. Linearization of these equations produces effective, thermally-redistributed scattering through absorption-reemission. In this paper, we investigate the effectiveness and efficiency of Linear-Multi-Frequency-Grey (LMFG) acceleration that has been reformulated for use as a preconditioner to Krylov iterative solution methods. We introduce two general frameworks, the scalar flux formulation (SFF) and the absorption rate formulation (ARF), and investigate their iterative properties in the absence and presence of true scattering. SFF has a group-dependent state size but may be formulated without inner iterations in the presence ofmore » scattering, while ARF has a group-independent state size but requires inner iterations when scattering is present. We compare and evaluate the computational cost and efficiency of LMFG applied to these two formulations using a direct solver for the preconditioners. Finally, this work is novel because the use of LMFG for the radiation transport equation, in conjunction with Krylov methods, involves special considerations not required for radiation diffusion.« less

Linear and nonlinear optical properties in an asymmetric double quantum well under intense laser field: Effects of applied electric and magnetic fields

NASA Astrophysics Data System (ADS)

Yesilgul, U.; Al, E. B.; Martínez-Orozco, J. C.; Restrepo, R. L.; Mora-Ramos, M. E.; Duque, C. A.; Ungan, F.; Kasapoglu, E.

2016-08-01

In the present study, the effects of electric and magnetic fields on the linear and third-order nonlinear optical absorption coefficients and relative change of the refractive index in asymmetric GaAs/GaAlAs double quantum wells under intense laser fields are theoretically investigated. The electric field is oriented along the growth direction of the heterostructure while the magnetic field is taken in-plane. The intense laser field is linear polarization along the growth direction. Our calculations are made using the effective-mass approximation and the compact density-matrix approach. Intense laser effects on the system are investigated with the use of the Floquet method with the consequent change in the confinement potential of heterostructures. Our results show that the increase of the electric and magnetic fields blue-shifts the peak positions of the total absorption coefficient and of the total refractive index while the increase of the intense laser field firstly blue-shifts the peak positions and later results in their red-shifting.

Reduction effect of surface temperature of baked bricks with different pore shapes during absorption-evaporation test

NASA Astrophysics Data System (ADS)

Oguchi, Chiaki T.; Shinozuka, Katsumi

2017-04-01

To study the effect of decreasing in surface temperature of baked bricks with various pore shapes, the present study performed several experiments such as water absorbance test and heating test. For the preparation of experimental specimens, bricks with artificial spherical pores, artificial linear pores and non-additional artificial pores were made. The bricks were examined their properties of bulk density, Equotip hardness and absorbing properties by putting in the water. Wet bricks were also put in the incubator set at 50 °C, and monitored the increasing of surface temperature of each brick. Brick with linear pores shows higher water absorption rate in a short time than those with spherical pores. They evaporated moisture faster than those with a spherical pores. They kept the temperature by 11.7 °C lower than the setting temperature, whereas the bricks with a spherical pores kept the temperature by 10.5 °C . Bricks with linear pores has about 10% higher effectiveness of decreasing in surface temperature than those with spheroidal pores.

Modeling grain size variations of aeolian gypsum deposits at White Sands, New Mexico, using AVIRIS imagery

USGS Publications Warehouse

Ghrefat, H.A.; Goodell, P.C.; Hubbard, B.E.; Langford, R.P.; Aldouri, R.E.

2007-01-01

Visible and Near-Infrared (VNIR) through Short Wavelength Infrared (SWIR) (0.4-2.5????m) AVIRIS data, along with laboratory spectral measurements and analyses of field samples, were used to characterize grain size variations in aeolian gypsum deposits across barchan-transverse, parabolic, and barchan dunes at White Sands, New Mexico, USA. All field samples contained a mineralogy of ?????100% gypsum. In order to document grain size variations at White Sands, surficial gypsum samples were collected along three Transects parallel to the prevailing downwind direction. Grain size analyses were carried out on the samples by sieving them into seven size fractions ranging from 45 to 621????m, which were subjected to spectral measurements. Absorption band depths of the size fractions were determined after applying an automated continuum-removal procedure to each spectrum. Then, the relationship between absorption band depth and gypsum size fraction was established using a linear regression. Three software processing steps were carried out to measure the grain size variations of gypsum in the Dune Area using AVIRIS data. AVIRIS mapping results, field work and laboratory analysis all show that the interdune areas have lower absorption band depth values and consist of finer grained gypsum deposits. In contrast, the dune crest areas have higher absorption band depth values and consist of coarser grained gypsum deposits. Based on laboratory estimates, a representative barchan-transverse dune (Transect 1) has a mean grain size of 1.16 ??{symbol} (449????m). The error bar results show that the error ranges from - 50 to + 50????m. Mean grain size for a representative parabolic dune (Transect 2) is 1.51 ??{symbol} (352????m), and 1.52 ??{symbol} (347????m) for a representative barchan dune (Transect 3). T-test results confirm that there are differences in the grain size distributions between barchan and parabolic dunes and between interdune and dune crest areas. The t-test results also show that there are no significant differences between modeled and laboratory-measured grain size values. Hyperspectral grain size modeling can help to determine dynamic processes shaping the formation of the dunes such as wind directions, and the relative strengths of winds through time. This has implications for studying such processes on other planetary landforms that have mineralogy with unique absorption bands in VNIR-SWIR hyperspectral data. ?? 2006 Elsevier B.V. All rights reserved.

Aerosol Light Absorption and Scattering Assessments and the Impact of City Size on Air Pollution

NASA Astrophysics Data System (ADS)

Paredes-Miranda, Guadalupe

The general problem of urban pollution and its relation to the city population is examined in this dissertation. A simple model suggests that pollutant concentrations should scale approximately with the square root of city population. This model and its experimental evaluation presented here serve as important guidelines for urban planning and attainment of air quality standards including the limits that air pollution places on city population. The model was evaluated using measurements of air pollution. Optical properties of aerosol pollutants such as light absorption and scattering plus chemical species mass concentrations were measured with a photoacoustic spectrometer, a reciprocal nephelometer, and an aerosol mass spectrometer in Mexico City in the context of the multinational project "Megacity Initiative: Local And Global Research Observations (MILAGRO)" in March 2006. Aerosol light absorption and scattering measurements were also obtained for Reno and Las Vegas, NV USA in December 2008-March 2009 and January-February 2003, respectively. In all three cities, the morning scattering peak occurs a few hours later than the absorption peak due to the formation of secondary photochemically produced aerosols. In particular, for Mexico City we determined the fraction of photochemically generated secondary aerosols to be about 75% of total aerosol mass concentration at its peak near midday. The simple 2-d box model suggests that commonly emitted primary air pollutant (e.g., black carbon) mass concentrations scale approximately as the square root of the urban population. This argument extends to the absorption coefficient, as it is approximately proportional to the black carbon mass concentration. Since urban secondary pollutants form through photochemical reactions involving primary precursors, in linear approximation their mass concentration also should scale with the square root of population. Therefore, the scattering coefficient, a proxy for particulate matter mass concentration, is also expected to scale the same way. Experimental data for five cities: Mexico City, Mexico; Las Vegas and Reno, NV, USA; Beijing, China; and Delhi, India (the data for the last two cities were obtained from the literature); are in reasonable accord with the model. The scaling relation provided by the model may be considered a useful metric depending on the assumption that specific city conditions (such as latitude, altitude, local meteorological conditions, degree of industrialization, population density, number of cars per capita, city shape, etc.) vary randomly, independent of city size. While more detailed studies (including data from more cities) are needed, we believe that this relatively weak dependence of the pollution concentration on the city population might help to explain why the worsening of urban air quality does not directly lead to a decrease in the rate of growth in city population.

Assessing frequency-dependent site polarisabilities in linear response polarisable embedding

NASA Astrophysics Data System (ADS)

Nørby, Morten S.; Vahtras, Olav; Norman, Patrick; Kongsted, Jacob

2017-01-01

In this paper, we discuss the impact of using a frequency-dependent embedding potential in quantum chemical embedding calculations of response properties. We show that the introduction of a frequency-dependent embedding potential leads to further model complications upon solving the central equations defining specific molecular properties. On the other hand, we also show from a numerical point of view that the consequences of using such a frequency-dependent embedding potential is almost negligible. Thus, for the kind of systems and processes studied in this paper the general recommendation is to use frequency-independent embedding potentials since this leads to less complicated model issues. However, larger effects are expected if the absorption bands of the environment are closer to that of the region treated using quantum mechanics.

Mathematical model of zinc absorption: effects of dietary calcium, protein and iron on zinc absorption

PubMed Central

Miller, Leland V.; Krebs, Nancy F.; Hambidge, K. Michael

2013-01-01

A previously described mathematical model of Zn absorption as a function of total daily dietary Zn and phytate was fitted to data from studies in which dietary Ca, Fe and protein were also measured. An analysis of regression residuals indicated statistically significant positive relationships between the residuals and Ca, Fe and protein, suggesting that the presence of any of these dietary components enhances Zn absorption. Based on the hypotheses that (1) Ca and Fe both promote Zn absorption by binding with phytate and thereby making it unavailable for binding Zn and (2) protein enhances the availability of Zn for transporter binding, the model was modified to incorporate these effects. The new model of Zn absorption as a function of dietary Zn, phytate, Ca, Fe and protein was then fitted to the data. The proportion of variation in absorbed Zn explained by the new model was 0·88, an increase from 0·82 with the original model. A reduced version of the model without Fe produced an equally good fit to the data and an improved value for the model selection criterion, demonstrating that when dietary Ca and protein are controlled for, there is no evidence that dietary Fe influences Zn absorption. Regression residuals and testing with additional data supported the validity of the new model. It was concluded that dietary Ca and protein modestly enhanced Zn absorption and Fe had no statistically discernable effect. Furthermore, the model provides a meaningful foundation for efforts to model nutrient interactions in mineral absorption. PMID:22617116

Mathematical model of zinc absorption: effects of dietary calcium, protein and iron on zinc absorption.

PubMed

Miller, Leland V; Krebs, Nancy F; Hambidge, K Michael

2013-02-28

A previously described mathematical model of Zn absorption as a function of total daily dietary Zn and phytate was fitted to data from studies in which dietary Ca, Fe and protein were also measured. An analysis of regression residuals indicated statistically significant positive relationships between the residuals and Ca, Fe and protein, suggesting that the presence of any of these dietary components enhances Zn absorption. Based on the hypotheses that (1) Ca and Fe both promote Zn absorption by binding with phytate and thereby making it unavailable for binding Zn and (2) protein enhances the availability of Zn for transporter binding, the model was modified to incorporate these effects. The new model of Zn absorption as a function of dietary Zn, phytate, Ca, Fe and protein was then fitted to the data. The proportion of variation in absorbed Zn explained by the new model was 0·88, an increase from 0·82 with the original model. A reduced version of the model without Fe produced an equally good fit to the data and an improved value for the model selection criterion, demonstrating that when dietary Ca and protein are controlled for, there is no evidence that dietary Fe influences Zn absorption. Regression residuals and testing with additional data supported the validity of the new model. It was concluded that dietary Ca and protein modestly enhanced Zn absorption and Fe had no statistically discernable effect. Furthermore, the model provides a meaningful foundation for efforts to model nutrient interactions in mineral absorption.

Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination.

PubMed

Krause, Lennard; Herbst-Irmer, Regine; Sheldrick, George M; Stalke, Dietmar

2015-02-01

The quality of diffraction data obtained using silver and molybdenum microsources has been compared for six model compounds with a wide range of absorption factors. The experiments were performed on two 30 W air-cooled Incoatec IµS microfocus sources with multilayer optics mounted on a Bruker D8 goniometer with a SMART APEX II CCD detector. All data were analysed, processed and refined using standard Bruker software. The results show that Ag  K α radiation can be beneficial when heavy elements are involved. A numerical absorption correction based on the positions and indices of the crystal faces is shown to be of limited use for the highly focused microsource beams, presumably because the assumption that the crystal is completely bathed in a (top-hat profile) beam of uniform intensity is no longer valid. Fortunately the empirical corrections implemented in SADABS , although originally intended as a correction for absorption, also correct rather well for the variations in the effective volume of the crystal irradiated. In three of the cases studied (two Ag and one Mo) the final SHELXL R 1 against all data after application of empirical corrections implemented in SADABS was below 1%. Since such corrections are designed to optimize the agreement of the intensities of equivalent reflections with different paths through the crystal but the same Bragg 2θ angles, a further correction is required for the 2θ dependence of the absorption. For this, SADABS uses the transmission factor of a spherical crystal with a user-defined value of μ r (where μ is the linear absorption coefficient and r is the effective radius of the crystal); the best results are obtained when r is biased towards the smallest crystal dimension. The results presented here suggest that the IUCr publication requirement that a numerical absorption correction must be applied for strongly absorbing crystals is in need of revision.

Infrasound Studies at the USArray (Invited)

NASA Astrophysics Data System (ADS)

de Groot-Hedlin, C. D.

2013-12-01

Many surface and atmospheric sources, both natural and anthropogenic, have generated infrasound signals that have been recorded on USArray transportable array (TA) seismometers at ranges up to thousands of kilometers. Such sources, including surface explosions, large bolides, mining events, and a space shuttle, have contributed to an understanding of infrasound propagation. We show examples of several atmospheric sources recorded at the TA. We first used USArray data to investigate infrasound signals from the space shuttle 'Atlantis'. Inclement weather in Florida forced the shuttle to land at Edwards Air Force Base in southern California on June 22, 2007, passing near three infrasound stations and several hundred seismic stations in northern Mexico, southern California, and Nevada. The high signal-to-noise ratio, broad receiver coverage, and Atlantis' positional information allowed us to test infrasound propagation modeling capabilities through the atmosphere to hundreds of kilometers range from the shuttle's path. Shadow zones and arrival times were predicted by tracing rays launched at right angles to the conical shock front surrounding the shuttle through a standard climatological model as well as a global ground to space model. Both models predict alternating regions of high and low ensonification to the NW, in line with observations. However, infrasound energy was detected tens of kilometers beyond the predicted zones of ensonification, possibly due to uncertainties in stratospheric wind speeds. The models also predict increasing waveform complexity with increasing distance, in line with observations. Several hundreds of broadband seismic stations in the U.S. Pacific Northwest recorded acoustic to seismic coupled signals from a large meteor that entered the atmosphere above northeastern Oregon on 19 February 2008. The travel times of the first arriving energy are consistent with a terminal explosion source model, suggesting that the large size of the explosion masked any signals associated with a continuous line source along its supersonic trajectory. Infrasound was detected at distances over 500 km from the source. A finite-difference time-domain algorithm that allows for propagation through a windy, viscous medium was developed to model signals from this source. We compare synthetics that have been computed using a G2S-ECMWF atmospheric model to signals recorded along an azimuth of 210 degrees from the source. The results show that the timing and the range extent of the direct, stratospherically ducted and thermospherically ducted acoustic branches are accurately predicted. However, estimates of absorption obtained from standard attenuation models predict much greater attenuation for thermospheric returns at frequencies greater than 0.1 Hz than is observed. We conclude that either the standard absorption model for the thermospheric is incorrect, or that thermospheric returns undergo non-linear propagation at very high altitude. In the former case, a better understanding of atmospheric absorption at high altitudes is required; in the latter, non-linear propagation modeling methods are needed to model infrasound propagation at thermospheric altitudes. Finally, we show infrasound signals recorded at TA barometers, generated by a small asteroid that entered Earth's atmosphere at distances between 6000-10000 km from the TA.

Waves and instabilities in plasmas

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

Chen, L.

1987-01-01

The contents of this book are: Plasma as a Dielectric Medium; Nyquist Technique; Absolute and Convective Instabilities; Landau Damping and Phase Mixing; Particle Trapping and Breakdown of Linear Theory; Solution of Viasov Equation via Guilding-Center Transformation; Kinetic Theory of Magnetohydrodynamic Waves; Geometric Optics; Wave-Kinetic Equation; Cutoff and Resonance; Resonant Absorption; Mode Conversion; Gyrokinetic Equation; Drift Waves; Quasi-Linear Theory; Ponderomotive Force; Parametric Instabilities; Problem Sets for Homework, Midterm and Final Examinations.

Femtosecond time-domain observation of atmospheric absorption in the near-infrared spectrum

NASA Astrophysics Data System (ADS)

Hammond, T. J.; Monchocé, Sylvain; Zhang, Chunmei; Brown, Graham G.; Corkum, P. B.; Villeneuve, D. M.

2016-12-01

As light propagates through a medium, absorption caused by electronic or rovibrational transitions is evident in the transmitted spectrum. The incident electromagnetic field polarizes the medium and the absorption is due to the imaginary part of the linear susceptibility. In the time domain, the field establishes a coherence in the medium that radiates out of phase with the initial field. This coherence can persist for tens of picoseconds in atmospheric molecules such as H2O . We propagate a few-cycle laser pulse centered at 1.8 μ m through the atmosphere and measure the long-lasting molecular coherence in the time domain by high-order harmonic cross correlation. The measured optical free-induction decay of the pulse is compared with a calculation based on the calculated rovibrational spectrum of H2O absorption.

Permeation of roxarsone and its metabolites increases caco-2 cell proliferation

PubMed Central

Bayse, Gladys S.; Jackson, Kimberly M.; Tucker, Deidre K.; Kirlin, Ward G.

2015-01-01

The benzenearsonate, Roxarsone, has been used since 1944 as an antimicrobial, growth-promoting poultry feed additive. USGS and EPA report that Roxarsone (4-hydroxy-3-nitrobenzenearsonate) and metabolites, including AHBA (3-amino-4-hydroxybenzenearsonate), contaminate waterways at greater than 1100 tons annually. To assess human impact of these organic arsenic water contaminants, it was important to study their potential absorption. The human adenocarcinoma cell line, Caco-2, is a model for intestinal absorption. We found proliferative effects on Caco-2 cells at micromolar levels of these compounds, as monitored by [3H]-thymidine incorporation into DNA. Flow cytometry cell cycle analysis confirmed accumulation in S phase from 21% (control) to 36% (24 hour exposure to 10 μM AHBA). Confluent Caco-2 cells grown on collagen-coated Transwell plates were dosed on the apical side. After exposure, media from apical and basolateral sides were collected separately. Following removal of FBS by 30K centrifugal filtration, the benzenearsonates in the collected media were analyzed by HPLC. Analyses were at wavelengths in the ultraviolet/visible range where the absorbance values were linear with respect to concentration. Concentrations were calculated by comparison with analytically-prepared commercial standards. Results from cells dosed at 10 μM for 24 hours with AHBA, Roxarsone, or Acetarsone indicated 6% - 29% permeation occurring from apical to basolateral side, modeling absorption across intestinal epithelium to the circulatory system. Benzenearsonate feed additives are frequently applied in combination with antibiotics, raising additional health concerns. We conclude that micromolar levels of these benzenearsonates are adequate to stimulate Caco-2 cell proliferation. PMID:25632371

Does the linear conversion between calcium infrared triplet and metallicity of globular clusters in early-type galaxies hold in the whole range of metallicity?

NASA Astrophysics Data System (ADS)

Chung, Chul; Yoon, Suk-Jin; Lee, Young-Wook; Lee, Sang-Yoon

2015-01-01

The calcium infrared triplet (CaT) is one of the prominent absorption features in the infrared wavelength regime. Recently, these absorption features have been getting attention in the prediction of metallicity of globular clusters (GCs) in early-type galaxies (ETGs) because of its strong sensitivity to the metallicity and calcium abundance of a star. However, based on our population synthesis model for CaT, we find that measuring metallicity directly from CaT is inaccurate because the formation mechanism of Ca II ionised line is very inefficient in the cool stars which are abundant in metal-rich stellar populations. This characteristics of Ca II ionised line make the CaT-metallicity relation to converge around 8 angstrom in the metal-rich regime. This is why the metallicity of simple stellar populations, such as GCs, greater than [Fe/H]~-0.5 is unreliable when the linear conversion between CaT and metallicity is applied to derive metallicity. In addition, we have successfully simulated the metal-rich CaT peaks found in GCs in ETGs by using the nonlinear CaT-metallicity relation in the metal-rich regime. This can also explain the difference between color and CaT distributions of GCs in various ETGs. Based on these results, we suggest that CaT is not a good metallicity indicator for the metal-rich stellar populations.

Repetitively Mode-Locked Cavity-Enhanced Absorption Spectroscopy (RML-CEAS) for Near-Infrared Gas Sensing

PubMed Central

Zheng, Chuantao; Wang, Yiding

2017-01-01

A Pound-Drever-Hall (PDH)-based mode-locked cavity-enhanced sensor system was developed using a distributed feedback diode laser centered at 1.53 µm as the laser source. Laser temperature scanning, bias control of the piezoelectric ceramic transducer (PZT) and proportional-integral-derivative (PID) feedback control of diode laser current were used to repetitively lock the laser modes to the cavity modes. A gas absorption spectrum was obtained by using a series of absorption data from the discrete mode-locked points. The 15 cm-long Fabry-Perot cavity was sealed using an enclosure with an inlet and outlet for gas pumping and a PZT for cavity length tuning. The performance of the sensor system was evaluated by conducting water vapor measurements. A linear relationship was observed between the measured absorption signal amplitude and the H2O concentration. A minimum detectable absorption coefficient of 1.5 × 10–8 cm–1 was achieved with an averaging time of 700 s. This technique can also be used for the detection of other trace gas species by targeting the corresponding gas absorption line. PMID:29207470

Experimental study on the sound absorption characteristics of continuously graded phononic crystals

NASA Astrophysics Data System (ADS)

Zhang, X. H.; Qu, Z. G.; He, X. C.; Lu, D. L.

2016-10-01

Novel three-dimensional (3D) continuously graded phononic crystals (CGPCs) have been designed, and fabricated by 3D printing. Each of the CGPCs is an entity instead of a combination of several other samples, and the porosity distribution of the CGPC along the incident direction is nearly linear. The sound absorption characteristics of CGPCs were experimentally investigated and compared with those of uniform phononic crystals (UPCs) and discretely stepped phononic crystals (DSPCs). Experimental results show that CGPCs demonstrate excellent sound absorption performance because of their continuously graded structures. CGPCs have higher sound absorption coefficients in the large frequency range and more sound absorption coefficient peaks in a specific frequency range than UPCs and DSPCs. In particular, the sound absorption coefficients of the CGPC with a porosity of 0.6 and thickness of 30 mm are higher than 0.56 when the frequency is 1350-6300 Hz and are all higher than 0.2 in the studied frequency range (1000-6300 Hz). CGPCs are expected to have potential application in noise control, especially in the broad frequency and low-frequency ranges.

Physiologically Based Absorption Modeling to Design Extended-Release Clinical Products for an Ester Prodrug.

PubMed

Ding, Xuan; Day, Jeffrey S; Sperry, David C

2016-11-01

Absorption modeling has demonstrated its great value in modern drug product development due to its utility in understanding and predicting in vivo performance. In this case, we integrated physiologically based modeling in the development processes to effectively design extended-release (ER) clinical products for an ester prodrug LY545694. By simulating the trial results of immediate-release products, we delineated complex pharmacokinetics due to prodrug conversion and established an absorption model to describe the clinical observations. This model suggested the prodrug has optimal biopharmaceutical properties to warrant developing an ER product. Subsequently, we incorporated release profiles of prototype ER tablets into the absorption model to simulate the in vivo performance of these products observed in an exploratory trial. The models suggested that the absorption of these ER tablets was lower than the IR products because the extended release from the formulations prevented the drug from taking advantage of the optimal absorption window. Using these models, we formed a strategy to optimize the ER product to minimize the impact of the absorption window limitation. Accurate prediction of the performance of these optimized products by modeling was confirmed in a third clinical trial.

Enhanced Reverse Saturable Absorption and Optical Limiting in Heavy-Atom Substituted Phthalocyanines

NASA Technical Reports Server (NTRS)

Perry, J. W.; Mansour, K.; Marder, S. R.; Alvarez, D., Jr.; Perry, K. J.; Choong, I.

1994-01-01

The reverse saturable absorption and optical limiting response of metal phthalocyaninies can be enhanced by using the heavy-atom effect. Phthalocyanines containing heavy metal atoms, such as In, Sn, and Pb show nearly a factor of two enhancement in the ratio of effective excited-state to ground-state absorption cross sections compared to those containing lighter atoms, such as Al and Si. In an f/8 optical geometry, homogeneous solutions of heavy metal phthalocyanines, at 30% linear transmission, limit 8-ns, 532-nm laser pulses to less than or equal to 3 (micro)J (the energy for 50% probability of eye damage) for incident pulses up to 800 (micro)J.

Two-Photon Absorption in Pentacene Dimers: The Importance of the Spacer Using Upconversion as an Indirect Route to Singlet Fission.

PubMed

Garoni, Eleonora; Zirzlmeier, Johannes; Basel, Bettina S; Hetzer, Constantin; Kamada, Kenji; Guldi, Dirk M; Tykwinski, Rik R

2017-10-11

In this proof of concept study, we show that intramolecular singlet fission (iSF) can be initiated from a singlet excited state accessed by two-photon absorption, rather than through a traditional route of direct one-photon excitation (OPE). Thus, iSF in pentacene dimers 2 and 3 is enabled through NIR irradiation at 775 nm, a wavelength where neither dimer exhibits linear absorption of light. The adamantyl and meta-phenylene spacers 2 and 3, respectively, are designed to feature superimposable geometries, which establishes that the electronic coupling between the two pentacenes is the significant structural feature that dictates iSF efficiency.

Enhancement and inhibition of second-harmonic generation and absorption in a negative index cavity.

PubMed

de Ceglia, Domenico; D'Orazio, Antonella; De Sario, Marco; Petruzzelli, Vincenzo; Prudenzano, Francesco; Centini, Marco; Cappeddu, Mirko G; Bloemer, Mark J; Scalora, Michael

2007-02-01

We study second-harmonic generation in a negative-index material cavity. The transmission spectrum shows a bandgap between the electric and magnetic plasma frequencies. The nonlinear process is made efficient by local phase-matching conditions between a forward-propagating pump and a backward-propagating second-harmonic signal. By simultaneously exciting the cavity with counterpropagating pulses, and by varying their relative phase difference, one is able to enhance or inhibit linear absorption and the second-harmonic conversion efficiency.

[Determination of mercury in Boletus impolitus by flow injection-atomic absorption spectrometry].

PubMed

Li, Tao; Wang, Yuan-Zhong

2008-04-01

Various test conditions and effect factors for the determination of mercury by flow injection-atomic absorption spectrometry were discussed, and a method for the determination of mercury in Boletus impolitus has been developed. The linear range for mercury is 0-60 microg x L(-1). The relative standard deviation is less than 3.0%, and the recovery is 96%-107%. This method is simple, rapid and has been applied to the determination of mercury in Boletus impolitus samples with satisfactory results.

Coherent perfect rotation

NASA Astrophysics Data System (ADS)

Crescimanno, Michael; Dawson, Nathan J.; Andrews, James H.

2012-09-01

Two classes of conservative, linear, optical rotary effects (optical activity and Faraday rotation) are distinguished by their behavior under time reversal. Faraday rotation, but not optical activity, is capable of coherent perfect rotation, by which we mean the complete transfer of counterpropagating coherent light fields into their orthogonal polarization. Unlike coherent perfect absorption, however, this process is explicitly energy conserving and reversible. Our study highlights the necessity of time-reversal-odd processes (not just absorption) and coherence in perfect mode conversion and thus informs the optimization of active multiport optical devices.

Preparation, optical and non-linear optical power limiting properties of Cu, CuNi nanowires

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

Udayabhaskar, R.; Karthikeyan, B., E-mail: bkarthik@nitt.edu; Ollakkan, Muhamed Shafi

2014-01-06

Metallic nanowires show excellent Plasmon absorption which is tunable based on its aspect ratio and alloying nature. We prepared Cu and CuNi metallic nanowires and studied its optical and nonlinear optical behavior. Optical properties of nanowires are theoretically explained using Gans theory. Nonlinear optical behavior is studied using a single beam open aperture z-scan method with the use of 5 ns Nd: YAG laser. Optical limiting is found to arise from two-photon absorption.

Preparation, optical and non-linear optical power limiting properties of Cu, CuNi nanowires

NASA Astrophysics Data System (ADS)

Udayabhaskar, R.; Ollakkan, Muhamed Shafi; Karthikeyan, B.

2014-01-01

Metallic nanowires show excellent Plasmon absorption which is tunable based on its aspect ratio and alloying nature. We prepared Cu and CuNi metallic nanowires and studied its optical and nonlinear optical behavior. Optical properties of nanowires are theoretically explained using Gans theory. Nonlinear optical behavior is studied using a single beam open aperture z-scan method with the use of 5 ns Nd: YAG laser. Optical limiting is found to arise from two-photon absorption.

Pulsating B and Be stars in the Small Magellanic Cloud

NASA Astrophysics Data System (ADS)

Diago, P. D.; Gutiérrez-Soto, J.; Fabregat, J.; Martayan, C.

2008-03-01

Context: Stellar pulsations in main-sequence B-type stars are driven by the κ-mechanism due to the Fe-group opacity bump. The current models do not predict the presence of instability strips in the B spectral domain at very low metallicities. As the metallicity of the SMC is lower than Z = 0.005, it constitutes a very suitable object to test these predictions. Aims: The main objective is to investigate the existence of B-type pulsators at low metallicities, searching for short-term periodic variability in absorption-line B and Be stars in the SMC. The analysis has been performed in a sample of 313 B and Be stars with fundamental astrophysical parameters accurately determined from high-resolution spectroscopy. Methods: Photometric light curves of the MACHO project have been analyzed using standard Fourier techniques and linear and non-linear least squares fitting methods. The position of the pulsating stars in the HR diagram has been used to ascertain their nature and to map the instability regions in the SMC. Results: We have detected 9 absorption-line B stars showing short-period variability, two among them being multiperiodic. One star is most likely a β Cephei variable and the remaining 8 are SPB stars. The SPB instability strip in the SMC is shifted towards higher temperatures than the Galaxy. In the Be star sample, 32 stars are short-period variables, 20 among them multiperiodic. 4.9% of B stars and 25.3% of Be stars are pulsating stars. Conclusions: β Cephei and SPB stars do exist at the SMC metallicity. The fractions of SPB stars and pulsating Be stars in the SMC are lower than in the Galaxy. The fraction of pulsating Be stars in the SMC is much higher than the fraction of pulsating absorption-line B stars, as in the Galaxy.

Peritoneal fluid transport in CAPD patients with different transport rates of small solutes.

PubMed

Sobiecka, Danuta; Waniewski, Jacek; Weryński, Andrzej; Lindholm, Bengt

2004-01-01

Continuous ambulatory peritoneal dialysis (CAPD) patients with high peritoneal solute transport rate often have inadequate peritoneal fluid transport. It is not known whether this inadequate fluid transport is due solely to a too rapid fall of osmotic pressure, or if the decreased effectiveness of fluid transport is also a contributing factor. To analyze fluid transport parameters and the effectiveness of dialysis fluid osmotic pressure in the induction of fluid flow in CAPD patients with different small solute transport rates. 44 CAPD patients were placed in low (n = 6), low-average (n = 13), high-average (n = 19), and high (n = 6) transport groups according to a modified peritoneal equilibration test (PET). The study involved a 6-hour peritoneal dialysis dwell with 2 L 3.86% glucose dialysis fluid for each patient. Radioisotopically labeled serum albumin was added as a volume marker.The fluid transport parameters (osmotic conductance and fluid absorption rate) were estimated using three mathematical models of fluid transport: (1) Pyle model (model P), which describes ultrafiltration rate as an exponential function of time; (2) model OS, which is based on the linear relationship of ultrafiltration rate and overall osmolality gradient between dialysis fluid and blood; and (3) model G, which is based on the linear relationship between ultrafiltration rate and glucose concentration gradient between dialysis fluid and blood. Diffusive mass transport coefficients (K(BD)) for glucose, urea, creatinine, potassium, and sodium were estimated using the modified Babb-Randerson-Farrell model. The high transport group had significantly lower dialysate volume and glucose and osmolality gradients between dialysate and blood, but significantly higher K(BD) for small solutes compared with the other transport groups. Osmotic conductance, fluid absorption rate, and initial ultrafiltration rate did not differ among the transport groups for model OS and model P. Model G yielded unrealistic values of fluid transport parameters that differed from those estimated by models OS and P. The K(BD) values for small solutes were significantly different among the groups, and did not correlate with fluid transport parameters for model OS. The difference in fluid transport between the different transport groups was due only to the differences in the rate of disappearance of the overall osmotic pressure of the dialysate, which was a combined result of the transport rate of glucose and other small solutes. Although the glucose gradient is the major factor influencing ultrafiltration rate, other solutes, such as urea, are also of importance. The counteractive effect of plasma small solutes on transcapillary ultrafiltration was found to be especially notable in low transport patients. Thus, glucose gradient alone should not be considered the only force that shapes the ultrafiltration profile during peritoneal dialysis. We did not find any correlations between diffusive mass transport coefficients for small solutes and fluid transport parameters such as osmotic conductance or fluid and volume marker absorption. We may thus conclude that the pathway(s) for fluid transport appears to be partly independent from the pathway(s) for small solute transport, which supports the hypothesis of different pore types for fluid and solute transport.

Modeling the influence of the BRDF characteristics of vegetation on the retrieval of solar-induced chlorophyll fluorescence under different illumination conditions

NASA Astrophysics Data System (ADS)

Liu, Xinjie; Liu, Liangyun

2017-04-01

The Fraunhofer Line Discrimination (FLD) principle is the main approach used for the retrieval of solar-induced chlorophyll fluorescence (SIF). The basic assumption of the FLD principle is that the apparent reflectance spectra without SIF in-filling are smooth in the region of the absorption bands. However, in fact, this assumption is not valid due to the so-called "direct radiation in-filling" effect caused by the non-linear contribution of direct and diffuse radiation at the oxygen absorption bands, which are widely used for ground-based SIF retrieval. In this study, we first analyzed the physical mechanism of the direct radiation in-filling effect on the oxygen absorption bands and found that the bias in the SIF retrieval caused by the direct radiation in-filling effect at the O2-A band was less than 20% based on the use of a simulated dataset. Secondly, we established a simple correction model of the direct radiation in-filling effect. We found that the direct radiation in-filling effect at the O2-A band was directly proportional to the difference between the reflectance of the direct and diffuse radiation, and that the coefficient of proportionality was well correlated with the diffuse-to-global radiation ratio in the form of a quadratic function. The coefficient of determination (R-squared) for this correlation was 0.97. Finally, the model was validated using both simulated and field datasets. The validation results show that the bias in the SIF retrieval caused by the direct radiation in-filling effect can be efficiently corrected using the model proposed in this paper. This study thus provides a possible approach to estimating and correcting for the direct radiation-infilling effect using prior knowledge of the BRDF characteristics of direct and diffuse radiation for specific targets.

Study on the prediction of visible absorption maxima of azobenzene compounds

PubMed Central

Liu, Jun-na; Chen, Zhi-rong; Yuan, Shen-feng

2005-01-01

The geometries of azobenzene compounds are optimized with B3LYP/6-311G* method, and analyzed with nature bond orbital, then their visible absorption maxima are calculated with TD-DFT method and ZINDO/S method respectively. The results agree well with the observed values. It was found that for the calculation of visible absorption using ZINDO/S method could rapidly yield better results by adjusting OWFπ-π (the relationship between π-π overlap weighting factor) value than by the TD-DFT method. The method of regression showing the linear relationship between OWFπ-π and BLN-N (nitrogen-nitrogen bond lengths) as OWF π-π=−8.1537+6.5638BL N-N, can be explained in terms of quantum theory, and also be used for prediction of visible absorption maxima of other azobenzne dyes in the same series. This study on molecules’ orbital geometry indicates that their visible absorption maxima correspond to the electron transition from HOMO (the highest occupied molecular orbital) to LUMO (the lowest unoccupied molecular orbital). PMID:15909349

Coherent perfect absorbers: linear control of light with light

NASA Astrophysics Data System (ADS)

Baranov, Denis G.; Krasnok, Alex; Shegai, Timur; Alù, Andrea; Chong, Yidong

2017-12-01

The absorption of electromagnetic energy by a material is a phenomenon that underlies many applications, including molecular sensing, photocurrent generation and photodetection. Typically, the incident energy is delivered to the system through a single channel, for example, by a plane wave incident on one side of an absorber. However, absorption can be made much more efficient by exploiting wave interference. A coherent perfect absorber is a system in which the complete absorption of electromagnetic radiation is achieved by controlling the interference of multiple incident waves. Here, we review recent advances in the design and applications of such devices. We present the theoretical principles underlying the phenomenon of coherent perfect absorption and give an overview of the photonic structures in which it can be realized, including planar and guided-mode structures, graphene-based systems, parity-symmetric and time-symmetric structures, 3D structures and quantum-mechanical systems. We then discuss possible applications of coherent perfect absorption in nanophotonics, and, finally, we survey the perspectives for the future of this field.

Separation of distinct photoexcitation species in femtosecond transient absorption microscopy

DOE PAGES

Xiao, Kai; Ma, Ying -Zhong; Simpson, Mary Jane; ...

2016-02-03

Femtosecond transient absorption microscopy is a novel chemical imaging capability with simultaneous high spatial and temporal resolution. Although several powerful data analysis approaches have been developed and successfully applied to separate distinct chemical species in such images, the application of such analysis to distinguish different photoexcited species is rare. In this paper, we demonstrate a combined approach based on phasor and linear decomposition analysis on a microscopic level that allows us to separate the contributions of both the excitons and free charge carriers in the observed transient absorption response of a composite organometallic lead halide perovskite film. We found spatialmore » regions where the transient absorption response was predominately a result of excitons and others where it was predominately due to charge carriers, and regions consisting of signals from both contributors. Lastly, quantitative decomposition of the transient absorption response curves further enabled us to reveal the relative contribution of each photoexcitation to the measured response at spatially resolved locations in the film.« less

Efficient Algorithms for Estimating the Absorption Spectrum within Linear Response TDDFT

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

Brabec, Jiri; Lin, Lin; Shao, Meiyue

We present a special symmetric Lanczos algorithm and a kernel polynomial method (KPM) for approximating the absorption spectrum of molecules within the linear response time-dependent density functional theory (TDDFT) framework in the product form. In contrast to existing algorithms, the new algorithms are based on reformulating the original non-Hermitian eigenvalue problem as a product eigenvalue problem and the observation that the product eigenvalue problem is self-adjoint with respect to an appropriately chosen inner product. This allows a simple symmetric Lanczos algorithm to be used to compute the desired absorption spectrum. The use of a symmetric Lanczos algorithm only requires halfmore » of the memory compared with the nonsymmetric variant of the Lanczos algorithm. The symmetric Lanczos algorithm is also numerically more stable than the nonsymmetric version. The KPM algorithm is also presented as a low-memory alternative to the Lanczos approach, but the algorithm may require more matrix-vector multiplications in practice. We discuss the pros and cons of these methods in terms of their accuracy as well as their computational and storage cost. Applications to a set of small and medium-sized molecules are also presented.« less

Simultaneous Determination of Ofloxacin and Flavoxate Hydrochloride by Absorption Ratio and Second Derivative UV Spectrophotometry

PubMed Central

Attimarad, Mahesh

2010-01-01

The objective of this study was to develop simple, precise, accurate and sensitive UV spectrophotometric methods for the simultaneous determination of ofloxacin (OFX) and flavoxate HCl (FLX) in pharmaceutical formulations. The first method is based on absorption ratio method, by formation of Q absorbance equation at 289 nm (λmax of OFX) and 322.4 nm (isoabsorptive point). The linearity range was found to be 1 to 30 μg/ml for FLX and OFX. In the method-II second derivative absorption at 311.4 nm for OFX (zero crossing for FLX) and at 246.2 nm for FLX (zero crossing for OFX) was used for the determination of the drugs and the linearity range was found to be 2 to 30 μg/ml for OFX and 2-75 μg /ml for FLX. The accuracy and precision of the methods were determined and validated statistically. Both the methods showed good reproducibility and recovery with % RSD less than 1.5%. Both the methods were found to be rapid, specific, precise and accurate and can be successfully applied for the routine analysis of OFX and FLX in combined dosage form PMID:24826003

Development and Validation of a Sensitive Method for Trace Nickel Determination by Slotted Quartz Tube Flame Atomic Absorption Spectrometry After Dispersive Liquid-Liquid Microextraction.

PubMed

Yolcu, Şükran Melda; Fırat, Merve; Chormey, Dotse Selali; Büyükpınar, Çağdaş; Turak, Fatma; Bakırdere, Sezgin

2018-05-01

In this study, dispersive liquid-liquid microextraction was systematically optimized for the preconcentration of nickel after forming a complex with diphenylcarbazone. The measurement output of the flame atomic absorption spectrometer was further enhanced by fitting a custom-cut slotted quartz tube to the flame burner head. The extraction method increased the amount of nickel reaching the flame and the slotted quartz tube increased the residence time of nickel atoms in the flame to record higher absorbance. Two methods combined to give about 90 fold enhancement in sensitivity over the conventional flame atomic absorption spectrometry. The optimized method was applicable over a wide linear concentration range, and it gave a detection limit of 2.1 µg L -1 . Low relative standard deviations at the lowest concentration in the linear calibration plot indicated high precision for both extraction process and instrumental measurements. A coal fly ash standard reference material (SRM 1633c) was used to determine the accuracy of the method, and experimented results were compatible with the certified value. Spiked recovery tests were also used to validate the applicability of the method.

Efficient Algorithms for Estimating the Absorption Spectrum within Linear Response TDDFT

DOE PAGES

Brabec, Jiri; Lin, Lin; Shao, Meiyue; ...

2015-10-06

We present a special symmetric Lanczos algorithm and a kernel polynomial method (KPM) for approximating the absorption spectrum of molecules within the linear response time-dependent density functional theory (TDDFT) framework in the product form. In contrast to existing algorithms, the new algorithms are based on reformulating the original non-Hermitian eigenvalue problem as a product eigenvalue problem and the observation that the product eigenvalue problem is self-adjoint with respect to an appropriately chosen inner product. This allows a simple symmetric Lanczos algorithm to be used to compute the desired absorption spectrum. The use of a symmetric Lanczos algorithm only requires halfmore » of the memory compared with the nonsymmetric variant of the Lanczos algorithm. The symmetric Lanczos algorithm is also numerically more stable than the nonsymmetric version. The KPM algorithm is also presented as a low-memory alternative to the Lanczos approach, but the algorithm may require more matrix-vector multiplications in practice. We discuss the pros and cons of these methods in terms of their accuracy as well as their computational and storage cost. Applications to a set of small and medium-sized molecules are also presented.« less

Selective two-photon absorption in carbon dots: a piece of the photoluminescence emission puzzle.

PubMed

Santos, Carla I M; Mariz, Inês F A; Pinto, Sandra N; Gonçalves, Gil; Bdikin, Igor; Marques, Paula A A P; Neves, Maria Graça P M S; Martinho, José M G; Maçôas, Ermelinda M S

2018-06-22

Carbon nanodots (Cdots) are now emerging as promising nonlinear fluorophores for applications in biological environments. A thorough and systematic approach to the two-photon induced emission of Cdots that could provide design guidelines to control their nonlinear emission properties is still missing. In this work, we address the nonlinear optical spectroscopy of Cdots prepared by controlled chemical cutting of graphene oxide (GO). The two-photon absorption in the 700-1000 nm region and the corresponding emission spectrum are carefully investigated. The highest two-photon absorption cross-section estimated was 130 GM at 720 nm. This value is comparable with the one reported for graphene nanoribbons with push-pull architecture. The emission spectrum depends on the excitation mode. At the same excitation energy, nonlinear excitation results in excitation-wavelength independent emission, while upon linear excitation the emission is excitation-wavelength dependent. The biphotonic interaction seems to be selective towards sp2 clusters bearing electron donor and acceptor groups found in push-pull architectures. Both linear and nonlinear emission can be understood based on the existence of isolated sp2 clusters involved in π-π stacking interactions with clusters in adjacent layers.

Role of Mn2+ concentration in the linear and nonlinear optical properties of Ni1-xMnxSe nanoparticles

NASA Astrophysics Data System (ADS)

Anugop, B.; Prasanth, S.; Rithesh Raj, D.; Vineeshkumar, T. V.; Pranitha, S.; Mahadevan Pillai, V. P.; Sudarsanakumar, C.

2016-12-01

Ni1-xMnxSe nanoparticles (x = 0.1, 0.3, 0.5, 0.7, 0.9) were successfully synthesized by chemical co-precipitation method and their structural and optical properties were studied using X-ray diffraction, transmission electron microscopy, UV-Visible absorption and photo luminescence spectroscopy. XRD pattern reveals the hexagonal structure of the particles and the peak positions were shifted to higher 2θ values with increase in Mn2+ concentration. The average particle size determined from XRD varies from 6 to 11 nm. The UV-Visible absorption spectrum shows absorption edge around the blue region and is red-shifted with increasing Mn2+ concentration consequently the optical bandgap energy is decreasing. The PL emission spectrum shows a broad emission around 380 nm, and the intensity of the emission decreases with increase in Mn2+ concentration. The nonlinear optical properties of the samples were analysed using Z-scan technique and the samples show optical limiting behaviour and the 2 PA coefficient increases with increasing Mn2+ concentration. Overall, manganese concentration influences the linear and nonlinear optical properties of Ni1-xMnxSe nanoparticles.

Resonance behaviour of whole-body averaged specific energy absorption rate (SAR) in the female voxel model, NAOMI

NASA Astrophysics Data System (ADS)

Dimbylow, Peter

2005-09-01

Finite-difference time-domain (FDTD) calculations have been performed of the whole-body averaged specific energy absorption rate (SAR) in a female voxel model, NAOMI, under isolated and grounded conditions from 10 MHz to 3 GHz. The 2 mm resolution voxel model, NAOMI, was scaled to a height of 1.63 m and a mass of 60 kg, the dimensions of the ICRP reference adult female. Comparison was made with SAR values from a reference male voxel model, NORMAN. A broad SAR resonance in the NAOMI values was found around 900 MHz and a resulting enhancement, up to 25%, over the values for the male voxel model, NORMAN. This latter result confirmed previously reported higher values in a female model. The effect of differences in anatomy was investigated by comparing values for 10-, 5- and 1-year-old phantoms rescaled to the ICRP reference values of height and mass which are the same for both sexes. The broad resonance in the NAOMI child values around 1 GHz is still a strong feature. A comparison has been made with ICNIRP guidelines. The ICNIRP occupational reference level provides a conservative estimate of the whole-body averaged SAR restriction. The linear scaling of the adult phantom using different factors in longitudinal and transverse directions, in order to match the ICRP stature and weight, does not exactly reproduce the anatomy of children. However, for public exposure the calculations with scaled child models indicate that the ICNIRP reference level may not provide a conservative estimate of the whole-body averaged SAR restriction, above 1.2 GHz for scaled 5- and 1-year-old female models, although any underestimate is by less than 20%.

Resonance behaviour of whole-body averaged specific energy absorption rate (SAR) in the female voxel model, NAOMI.

PubMed

Dimbylow, Peter

2005-09-07

Finite-difference time-domain (FDTD) calculations have been performed of the whole-body averaged specific energy absorption rate (SAR) in a female voxel model, NAOMI, under isolated and grounded conditions from 10 MHz to 3 GHz. The 2 mm resolution voxel model, NAOMI, was scaled to a height of 1.63 m and a mass of 60 kg, the dimensions of the ICRP reference adult female. Comparison was made with SAR values from a reference male voxel model, NORMAN. A broad SAR resonance in the NAOMI values was found around 900 MHz and a resulting enhancement, up to 25%, over the values for the male voxel model, NORMAN. This latter result confirmed previously reported higher values in a female model. The effect of differences in anatomy was investigated by comparing values for 10-, 5- and 1-year-old phantoms rescaled to the ICRP reference values of height and mass which are the same for both sexes. The broad resonance in the NAOMI child values around 1 GHz is still a strong feature. A comparison has been made with ICNIRP guidelines. The ICNIRP occupational reference level provides a conservative estimate of the whole-body averaged SAR restriction. The linear scaling of the adult phantom using different factors in longitudinal and transverse directions, in order to match the ICRP stature and weight, does not exactly reproduce the anatomy of children. However, for public exposure the calculations with scaled child models indicate that the ICNIRP reference level may not provide a conservative estimate of the whole-body averaged SAR restriction, above 1.2 GHz for scaled 5- and 1-year-old female models, although any underestimate is by less than 20%.

Nonlinear optical and electroabsorption spectra of polydiacetylene crystals and films

NASA Astrophysics Data System (ADS)

Mukhopadhyay, D.; Soos, Z. G.

1996-01-01

Vibronic structure of nonlinear optical (NLO) coefficients is developed within the Condon approximation, displaced harmonic oscillators, and crude adiabatic states. The displacements of backbone modes of conjugated polymers are taken from vibrational data on the ground and 1B excited state. NLO resonances are modeled by three excitations and transition moments taken from Pariser-Parr-Pople (PPP) theory and optimized to polydiacetylene (PDA) spectra in crystals and films, with blue-shifted 1B exciton. The joint analysis of third-harmonic-generation, two-photon absorption, and nondegenerate four-wave-mixing spectra of PDA crystals and films shows weak two-photon absorption to 2A below 1B, leading to overlapping resonances in the THG spectrum, strong two-photon absorption to an nA state some 35% above 1B, and weak Raman resonances in nondegenerate FWM spectra. The full π-π* spectrum contributes to Stark shifts and field-induced transitions, as shown by PPP results for PDA oligomers. The Stark shift dominates high-resolution electroabsorption (EA) spectra of PDA crystals below 10 K. The close correspondence between EA and the first-derivative I'(ω) of the linear absorption above the 1B exciton in PDA crystals provides an experimental separation of vibrational and electronic contributions that limits any even-parity state in this 0.5 eV interval. An oscillator-strength sum rule is applied to the convergence of PDA oligomers with increasing length, N, and the crystal oscillator strengths are obtained without adjustable parameters. The sum rule for the 1B exciton implies large transition moments to higher-energy Ag states, whose locations in recent models are contrasted to PPP results. Joint analysis of NLO and EA spectra clarifies when a few electronic excitations are sufficient, distinguishes between vibrational and electronic contributions, and supports similar π-electron interactions in conjugated molecules and polymers.

A new in vitro lipid digestion - in vivo absorption model to evaluate the mechanisms of drug absorption from lipid-based formulations.

PubMed

Crum, Matthew F; Trevaskis, Natalie L; Williams, Hywel D; Pouton, Colin W; Porter, Christopher J H

2016-04-01

In vitro lipid digestion models are commonly used to screen lipid-based formulations (LBF), but in vitro-in vivo correlations are in some cases unsuccessful. Here we enhance the scope of the lipid digestion test by incorporating an absorption 'sink' into the experimental model. An in vitro model of lipid digestion was coupled directly to a single pass in situ intestinal perfusion experiment in an anaesthetised rat. The model allowed simultaneous real-time analysis of the digestion and absorption of LBFs of fenofibrate and was employed to evaluate the influence of formulation digestion, supersaturation and precipitation on drug absorption. Formulations containing higher quantities of co-solvent and surfactant resulted in higher supersaturation and more rapid drug precipitation in vitro when compared to those containing higher quantities of lipid. In contrast, when the same formulations were examined using the coupled in vitro lipid digestion - in vivo absorption model, drug flux into the mesenteric vein was similar regardless of in vitro formulation performance. For some drugs, simple in vitro lipid digestion models may underestimate the potential for absorption from LBFs. Consistent with recent in vivo studies, drug absorption for rapidly absorbed drugs such as fenofibrate may occur even when drug precipitation is apparent during in vitro digestion.

Promises of Machine Learning Approaches in Prediction of Absorption of Compounds.

PubMed

Kumar, Rajnish; Sharma, Anju; Siddiqui, Mohammed Haris; Tiwari, Rajesh Kumar

2018-01-01

The Machine Learning (ML) is one of the fastest developing techniques in the prediction and evaluation of important pharmacokinetic properties such as absorption, distribution, metabolism and excretion. The availability of a large number of robust validation techniques for prediction models devoted to pharmacokinetics has significantly enhanced the trust and authenticity in ML approaches. There is a series of prediction models generated and used for rapid screening of compounds on the basis of absorption in last one decade. Prediction of absorption of compounds using ML models has great potential across the pharmaceutical industry as a non-animal alternative to predict absorption. However, these prediction models still have to go far ahead to develop the confidence similar to conventional experimental methods for estimation of drug absorption. Some of the general concerns are selection of appropriate ML methods and validation techniques in addition to selecting relevant descriptors and authentic data sets for the generation of prediction models. The current review explores published models of ML for the prediction of absorption using physicochemical properties as descriptors and their important conclusions. In addition, some critical challenges in acceptance of ML models for absorption are also discussed. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Radiative Enhancement of Linear and Third-Order Vibrational Excitations by an Array of Infrared Plasmonic Antennas.

PubMed

Gandman, Andrey; Mackin, Robert T; Cohn, Bar; Rubtsov, Igor V; Chuntonov, Lev

2018-05-22

Infrared gold antennas localize enhanced near fields close to the metal surface, when excited at the frequency of their plasmon resonance, and amplify vibrational signals from the nearby molecules. We study the dependence of the signal enhancement on the thickness of a polymer film containing vibrational chromophores, deposited on the antenna array, using linear (FTIR) and third-order femtosecond vibrational spectroscopy (transient absorption and 2DIR). Our results show that for a film thickness beyond only a few nanometers the near-field interaction is not sufficient to account for the magnitude of the observed signal, which nevertheless has a clear Fano line shape, suggesting a radiative origin of the molecule-plasmon interaction. The mutual radiative damping of plasmonic and molecular transitions leads to the spectroscopic signal of a molecular vibrational excitation to be enhanced by up to a factor of 50 in the case of linear spectroscopy and over 2000 in the case of third-order spectroscopy. A qualitative explanation for the observed effect is given by the extended coupled oscillators model, which takes into account both near-field and radiative interactions between the plasmonic and molecular transitions.

Heterogeneous porous structures for the fastest liquid absorption

NASA Astrophysics Data System (ADS)

Shou, Dahua; Ye, Lin; Fan, Jintu

2013-08-01

Engineered porous materials, which have fast absorption of liquids under global constraints (e.g. volume, surface area, or cost of the materials), are useful in many applications including moisture management fabrics, medical wound dressings, paper-based analytical devices, liquid molding composites, etc.. The absorption in capillary tubes and porous media is driven by the surface tension of liquid, which is inversely proportional to the pore size. On the contrary, the ability of conduction (or permeability) of liquid in porous materials is linear with the square of pore size. Both mechanisms superimpose with each other leading to a possibility of the fastest absorption for a porous structure. In this work, we explore the flow behaviors for the fastest absorption using heterogeneous porous architectures, from two-portion tubes to two-layer porous media. The absorption time for filling up the voids in these porous materials is expressed in terms of pore size, height and porosity. It is shown that under the given height and void volume, these two-component porous structures with a negative gradient of pore size/porosity against the imbibition direction, have a faster absorption rate than controlled samples with uniform pore size/porosity. Particularly, optimal structural parameters including pore size, height and porosity are found for the minimum absorption time. The obtained results will be used as a priori for the design of porous structures with excellent water absorption and moisture management property in various fields.

A complete diet-based algorithm for predicting nonheme iron absorption in adults.

PubMed

Armah, Seth M; Carriquiry, Alicia; Sullivan, Debra; Cook, James D; Reddy, Manju B

2013-07-01

Many algorithms have been developed in the past few decades to estimate nonheme iron absorption from the diet based on single meal absorption studies. Yet single meal studies exaggerate the effect of diet and other factors on absorption. Here, we propose a new algorithm based on complete diets for estimating nonheme iron absorption. We used data from 4 complete diet studies each with 12-14 participants for a total of 53 individuals (19 men and 34 women) aged 19-38 y. In each study, each participant was observed during three 1-wk periods during which they consumed different diets. The diets were typical, high, or low in meat, tea, calcium, or vitamin C. The total sample size was 159 (53 × 3) observations. We used multiple linear regression to quantify the effect of different factors on iron absorption. Serum ferritin was the most important factor in explaining differences in nonheme iron absorption, whereas the effect of dietary factors was small. When our algorithm was validated with single meal and complete diet data, the respective R(2) values were 0.57 (P < 0.001) and 0.84 (P < 0.0001). The results also suggest that between-person variations explain a large proportion of the differences in nonheme iron absorption. The algorithm based on complete diets we propose is useful for predicting nonheme iron absorption from the diets of different populations.

Quantification of Absorption Due to Black and Brown Carbon from Biomass Burning and Parameterizations for Comparison to Climate Models Result

NASA Astrophysics Data System (ADS)

Pokhrel, Rudra Prasad

This dissertation examines the optical properties of fresh and aged biomass burning aerosols, parameterization of these properties, and development of new instrumentation and calibration techniques to measure aerosol optical properties. Data sets were collected from the fourth Fire Lab at Missoula Experiment (FLAME-4) that took place from October 15 to November 16, 2012. Biomass collected from the various parts of the world were burned under controlled laboratory conditions and fresh emissions from different stages of burning were measured and analyzed. Optical properties of aged aerosol under different conditions was also explored. A photoacoustic absorption spectrometer (PAS) was built and integrated with a newly designed thermal denuder to improve upon observations made during Flame-4. A novel calibration technique for the PAS was developed. Single scattering albedo (SSA) and absorption Angstrom exponent (AAE) from 12 different fuels with 41 individual burns were estimated and parameterized with modified combustion efficiency (MCE) and the ratio of elemental carbon (EC) to organic carbon (OC) mass. The EC / OC ratio has better capability to parameterize SSA and AAE than MCE. The simple linear regression model proposed in this study accurately predicts SSA during the first few hours of plume aging with the ambient data from a biomass burning event. In addition, absorption due to brown carbon (BrC) can significantly lower the SSA at 405 nm resulting in a wavelength dependence of SSA. Furthermore, smoldering dominated burns have larger AAE values while flaming dominated burns have smaller AAE values indicating a large fraction of BrC is emitted during the smoldering stage of the burn. Enhancement in BC absorption (EAbs) due to coating by absorbing and non-absorbing substances is estimated at 405 nm and 660 nm. Relatively smaller values of EAbs at 660 nm compared to 405 nm suggests lensing is a less important contributor to biomass burning aerosol absorption at lower wavelengths. Multiple burns of the same fuel produced significantly different EAbs values at 405 nm, but show good correlation with the EC/OC ratio indicating less dependency on fuel type and more dependency on burn conditions. In addition, absorption due to BrC can contribute up to 92 % of the total biomass burning aerosol absorption at 405 nm and up to 58 % of the total absorption at 532 nm. Indicating BrC absorption in biomass burning emissions is equally or more important than the absorption due to BC at short wavelengths. Furthermore, fractional absorption due to BrC shows reasonably good correlation with EC/OC ratio and AAE. Primary organic aerosol is found to be more volatile than secondary organic aerosol and it is found that the thermal denuder deployed in this study removes less organic aerosol if secondary organic aerosol is present. SSA at 532 nm remains constant during different conditions of aging while SSA at 405 nm increases under certain conditions suggesting the degradation of BrC. Decreases in AAE under the same experiment further support the proposed BrC degradation. The novel thermal denuder designed completely removes non-refractory material and can be used under higher flow rates (maximum of 5 LPM) than the most commercially available thermal denuders. The new calibration techniques proposed for the photoacousitc absorption spectrometer will reduce uncertainty during calibration compared to the conventional calibration methods.

Digital Architecture for a Trace Gas Sensor Platform

NASA Technical Reports Server (NTRS)

Gonzales, Paula; Casias, Miguel; Vakhtin, Andrei; Pilgrim, Jeffrey

2012-01-01

A digital architecture has been implemented for a trace gas sensor platform, as a companion to standard analog control electronics, which accommodates optical absorption whose fractional absorbance equivalent would result in excess error if assumed to be linear. In cases where the absorption (1-transmission) is not equivalent to the fractional absorbance within a few percent error, it is necessary to accommodate the actual measured absorption while reporting the measured concentration of a target analyte with reasonable accuracy. This requires incorporation of programmable intelligence into the sensor platform so that flexible interpretation of the acquired data may be accomplished. Several different digital component architectures were tested and implemented. Commercial off-the-shelf digital electronics including data acquisition cards (DAQs), complex programmable logic devices (CPLDs), field-programmable gate arrays (FPGAs), and microcontrollers have been used to achieve the desired outcome. The most completely integrated architecture achieved during the project used the CPLD along with a microcontroller. The CPLD provides the initial digital demodulation of the raw sensor signal, and then communicates over a parallel communications interface with a microcontroller. The microcontroller analyzes the digital signal from the CPLD, and applies a non-linear correction obtained through extensive data analysis at the various relevant EVA operating pressures. The microcontroller then presents the quantitatively accurate carbon dioxide partial pressure regardless of optical density. This technique could extend the linear dynamic range of typical absorption spectrometers, particularly those whose low end noise equivalent absorbance is below one-part-in-100,000. In the EVA application, it allows introduction of a path-length-enhancing architecture whose optical interference effects are well understood and quantified without sacrificing the dynamic range that allows quantitative detection at the higher carbon dioxide partial pressures. The digital components are compact and allow reasonably complete integration with separately developed analog control electronics without sacrificing size, mass, or power draw.

Conical refraction of elastic waves in absorbing crystals

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

Alshits, V. I., E-mail: alshits@ns.crys.ras.ru; Lyubimov, V. N.

2011-10-15

The absorption-induced acoustic-axis splitting in a viscoelastic crystal with an arbitrary anisotropy is considered. It is shown that after 'switching on' absorption, the linear vector polarization field in the vicinity of the initial degeneracy point having an orientation singularity with the Poincare index n = {+-}1/2, transforms to a planar distribution of ellipses with two singularities n = {+-}1/4 corresponding to new axes. The local geometry of the slowness surface of elastic waves is studied in the vicinity of new degeneracy points and a self-intersection line connecting them. The absorption-induced transformation of the classical picture of conical refraction is studied.more » The ellipticity of waves at the edge of the self-intersection wedge in a narrow interval of propagation directions drastically changes from circular at the wedge ends to linear in the middle of the wedge. For the wave normal directed to an arbitrary point of this wedge, during movement of the displacement vector over the corresponding polarization ellipse, the wave ray velocity s runs over the same cone describing refraction in a crystal without absorption. In this case, the end of the vector moves along a universal ellipse whose plane is orthogonal to the acoustic axis for zero absorption. The areal velocity of this movement differs from the angular velocity of the displacement vector on the polarization ellipse only by a constant factor, being delayed by {pi}/2 in phase. When the wave normal is localized at the edge of the wedge in its central region, the movement of vector s along the universal ellipse becomes drastically nonuniform and the refraction transforms from conical to wedge-like.« less

The gas-phase absorption spectrum of a neutral GFP model chromophore.

PubMed

Lammich, L; Petersen, M Axman; Nielsen, M Brøndsted; Andersen, L H

2007-01-01

We have studied the gas-phase absorption properties of the green fluorescent protein (GFP) chromophore in its neutral (protonated) charge state in a heavy-ion storage ring. To accomplish this we synthesized a new molecular chromophore with a charged NH(3) group attached to a neutral model chromophore of GFP. The gas-phase absorption cross section of this chromophore molecule as a function of the wavelength is compared to the well-known absorption profile of GFP. The chromophore has a maximum absorption at 415 +/- 5 nm. When corrected for the presence of the charged group attached to the GFP model chromophore, the unperturbed neutral chromophore is predicted to have an absorption maximum at 399 nm in vacuum. This is very close to the corresponding absorption peak of the protein at 397 nm. Together with previous data obtained with an anionic GFP model chromophore, the present data show that the absorption of GFP is primarily determined by intrinsic chromophore properties. In other words, there is strong experimental evidence that, in terms of absorption, the conditions in the hydrophobic interior of this protein are very close to those in vacuum.

Energy harvesting efficiency optimization via varying the radius of curvature of a piezoelectric THUNDER

NASA Astrophysics Data System (ADS)

Wang, Fengxia; Wang, Zengmei; Soroush, Mahmoudiandehkordi; Abedini, Amin

2016-09-01

In this work the energy harvesting performance of a piezoelectric curved energy generator (THin layer UNimorph DrivER (THUNDER)) is studied via experimental and analytical methods. The analytical model of the THUNDER is created based on the linear mechanical electrical constitutive law of the piezoelectric material, the linear elastic constitutive law of the substrate, and the Euler-Bernoulli beam theory. With these linear modal functions, the Rayleigh-Ritz approach was used to obtain the reduced mechanical-electrical coupled modulation equations. The analytical model is verified by the experimental results. Both the experimental and analytical results of the THUNDER’s AC power output, DC power output with Rectifier Bridge and a capacitor, as well as the power output with a microcontroller energy harvesting circuit are reported. Based on the theoretical model, the analytical solution of the DC power is derived in terms of the vibration amplitude, frequency, and the electrical load. To harvest energy from low-frequency vibration source by a piezoelectric generator requires the piezoelectric device possessing low resonance frequency and good flexibility. The THUNDER developed by Langley Research Center exhibits high power when it is used as an energy generator and large displacement when it is used as an actuator. Compared to the less flexible PZT, although THUNDER is more difficult to model, THUNDER has better vibration absorption capacity and higher energy recovery efficiency. The effect of the THUNDER’s radius of curvature on energy harvesting efficiency is mainly investigated. We set the THUNDER’s radius of curvature as a dynamic tuning parameter which can tune the piezoelectric generators’ frequency with the source excitation frequency.

Temperature dependence of the HNO3 UV absorption cross sections

NASA Technical Reports Server (NTRS)

Burkholder, James B.; Talukdar, Ranajit K.; Ravishankara, A. R.; Solomon, Susan

1993-01-01

The temperature dependence of the HNO3 absorption cross sections between 240 and 360 K over the wavelength range 195 to 350 nm has been measured using a diode array spectrometer. Absorption cross sections were determined using both (1) absolute pressure measurements at 298 K and (2) a dual absorption cell arrangement in which the absorption spectrum at various temperatures is measured relative to the room temperature absorption spectrum. The HNO3 absorption spectrum showed a temperature dependence which is weak at short wavelengths but stronger at longer wavelengths which are important for photolysis in the lower stratosphere. The 298 K absorption cross sections were found to be larger than the values currently recommended for atmospheric modeling (DeMore et al., 1992). Our absorption cross section data are critically compared with the previous measurements of both room temperature and temperature-dependent absorption cross sections. Temperature-dependent absorption cross sections of HNO3 are recommended for use in atmospheric modeling. These temperature dependent HNO3 absorption cross sections were used in a two-dimensional dynamical-photochemical model to demonstrate the effects of the revised absorption cross sections on loss rate of HNO3 and the abundance of NO2 in the stratosphere.

Analysis of influence and improvement measures on laser weapons induced by laser atmospheric transmission

NASA Astrophysics Data System (ADS)

Che, Jinxi; Zhang, Jinchun; Yang, Haiqiang; Li, Yu; Wang, Hongjun

2018-02-01

In the course of atmospheric transmission, laser atmospheric transmission study a series of linear optical effect produced by the interaction of atmosphere and laser and non-linear effect and the influence of laser transmission due to these effects. In this paper, the linear effects of atmosphere refringence, absorption, scattering and turbulence affecting laser transmission were analyzed. And the non-linear effects affecting laser atmosphere transmission were also analyzed. On this basis, the corresponding improvement measures were analyzed. To understand and master the laws of laser atmospheric transmission and study avoiding or as far as possible decreasing the influence of laser transmission induced by atmosphere, the outcome can be referred.

Computational method for analysis of polyethylene biodegradation

NASA Astrophysics Data System (ADS)

Watanabe, Masaji; Kawai, Fusako; Shibata, Masaru; Yokoyama, Shigeo; Sudate, Yasuhiro

2003-12-01

In a previous study concerning the biodegradation of polyethylene, we proposed a mathematical model based on two primary factors: the direct consumption or absorption of small molecules and the successive weight loss of large molecules due to β-oxidation. Our model is an initial value problem consisting of a differential equation whose independent variable is time. Its unknown variable represents the total weight of all the polyethylene molecules that belong to a molecular-weight class specified by a parameter. In this paper, we describe a numerical technique to introduce experimental results into analysis of our model. We first establish its mathematical foundation in order to guarantee its validity, by showing that the initial value problem associated with the differential equation has a unique solution. Our computational technique is based on a linear system of differential equations derived from the original problem. We introduce some numerical results to illustrate our technique as a practical application of the linear approximation. In particular, we show how to solve the inverse problem to determine the consumption rate and the β-oxidation rate numerically, and illustrate our numerical technique by analyzing the GPC patterns of polyethylene wax obtained before and after 5 weeks cultivation of a fungus, Aspergillus sp. AK-3. A numerical simulation based on these degradation rates confirms that the primary factors of the polyethylene biodegradation posed in modeling are indeed appropriate.

Lactose digestion by human jejunal biopsies: the relationship between hydrolysis and absorption.

PubMed Central

Dawson, D J; Lobley, R W; Burrows, P C; Miller, V; Holmes, R

1986-01-01

The relationship between lactose hydrolysis and absorption of released glucose was investigated by determining the kinetics of lactose digestion by jejunal biopsies incubated in vitro. Lactase activity in intact biopsies correlated with conventional assay of tissue homogenates (r = 0.85, p less than 0.001), and glucose uptake from 28 mM lactose was directly proportional to lactase activity (r = 0.95, p less than 0.001) in 21 subjects with normal lactase levels, six with hypolactasia (primary or secondary to coeliac disease) and two with lactose intolerance but normal lactase activity. Kinetic analysis at 0.56-56 mM lactose in five normal subjects showed saturable kinetics for hydrolysis (app Km = 33.9 +/- 2.2 mM; app Vmax = 26.5 +/- 1.1 nmol/min/mg dry weight) but glucose uptake could be fitted to a model either of saturable uptake (app Kt = 47.2 +/- 0.3 mM; app Jmax = 14.1 +/- 0.2 nmol/min/mg) or saturable uptake plus a linear component (app Kt = 21.3 +/- 1.15; app Jmax = 4.59 +/- 0.12; app Kd = 0.093 +/- 0.010 nmol/min/mg/mM). The proportion of glucose taken into the tissue did not significantly exceed 50% of the total released at any lactose concentration suggesting the lack of an efficient capture mechanism for the released glucose. The results suggest that lactose hydrolysis is the rate limiting step in the overall absorption of glucose from lactose in vitro, and that the relationship between hydrolysis and absorption is the same in normal subjects and in hypolactasic subjects. PMID:3084346

The influence of flooring on environmental stressors: a study of three flooring materials in a hospital.

PubMed

Harris, Debra D

2015-01-01

Three flooring materials, terrazzo, rubber, and carpet tile, in patient unit corridors were compared for absorption of sound, comfort, light reflectance, employee perceptions and preferences, and patient satisfaction. Environmental stressors, such as noise and ergonomic factors, effect healthcare workers and patients, contributing to increased fatigue, anxiety and stress, decreased productivity, and patient safety and satisfaction. A longitudinal comparative cohort study comparing three types of flooring assessed sound levels, healthcare worker responses, and patient Hospital Consumer Assessment of Healthcare Providers and Systems (HCAHPS) ratings over 42 weeks. A linear mixed model analysis was conducted to determine significant differences between the means for participant responses and objective sound meter data during all three phases of the study. A significant difference was found for sound levels between flooring type for equivalent continuous sound levels. Carpet tile performed better for sound attenuation by absorption, reducing sound levels 3.14 dBA. Preferences for flooring materials changed over the course of the study. The HCAHPS ratings aligned with the sound meter data showing that patients perceived the noise levels to be lower with carpet tiles, improving patient satisfaction ratings. Perceptions for healthcare staff and patients were aligned with the sound meter data. Carpet tile provides sound absorption that affects sound levels and influences occupant's perceptions of environmental factors that contribute to the quality of the indoor environment. Flooring that provides comfort underfoot, easy cleanability, and sound absorption influence healthcare worker job satisfaction and patient satisfaction with their patient experience. © The Author(s) 2015.

A surface renewal model for unsteady-state mass transfer using the generalized Danckwerts age distribution function.

PubMed

Horvath, Isabelle R; Chatterjee, Siddharth G

2018-05-01

The recently derived steady-state generalized Danckwerts age distribution is extended to unsteady-state conditions. For three different wind speeds used by researchers on air-water heat exchange on the Heidelberg Aeolotron, calculations reveal that the distribution has a sharp peak during the initial moments, but flattens out and acquires a bell-shaped character with process time, with the time taken to attain a steady-state profile being a strong and inverse function of wind speed. With increasing wind speed, the age distribution narrows significantly, its skewness decreases and its peak becomes larger. The mean eddy renewal time increases linearly with process time initially but approaches a final steady-state value asymptotically, which decreases dramatically with increased wind speed. Using the distribution to analyse the transient absorption of a gas into a large body of liquid, assuming negligible gas-side mass-transfer resistance, estimates are made of the gas-absorption and dissolved-gas transfer coefficients for oxygen absorption in water at 25°C for the three different wind speeds. Under unsteady-state conditions, these two coefficients show an inverse behaviour, indicating a heightened accumulation of dissolved gas in the surface elements, especially during the initial moments of absorption. However, the two mass-transfer coefficients start merging together as the steady state is approached. Theoretical predictions of the steady-state mass-transfer coefficient or transfer velocity are in fair agreement (average absolute error of prediction = 18.1%) with some experimental measurements of the same for the nitrous oxide-water system at 20°C that were made in the Heidelberg Aeolotron.

Enhanced light absorption by mixed source black and brown carbon particles in UK winter

PubMed Central

Liu, Shang; Aiken, Allison C.; Gorkowski, Kyle; Dubey, Manvendra K.; Cappa, Christopher D.; Williams, Leah R.; Herndon, Scott C.; Massoli, Paola; Fortner, Edward C.; Chhabra, Puneet S.; Brooks, William A.; Onasch, Timothy B.; Jayne, John T.; Worsnop, Douglas R.; China, Swarup; Sharma, Noopur; Mazzoleni, Claudio; Xu, Lu; Ng, Nga L.; Liu, Dantong; Allan, James D.; Lee, James D.; Fleming, Zoë L.; Mohr, Claudia; Zotter, Peter; Szidat, Sönke; Prévôt, André S. H.

2015-01-01

Black carbon (BC) and light-absorbing organic carbon (brown carbon, BrC) play key roles in warming the atmosphere, but the magnitude of their effects remains highly uncertain. Theoretical modelling and laboratory experiments demonstrate that coatings on BC can enhance BC's light absorption, therefore many climate models simply assume enhanced BC absorption by a factor of ∼1.5. However, recent field observations show negligible absorption enhancement, implying models may overestimate BC's warming. Here we report direct evidence of substantial field-measured BC absorption enhancement, with the magnitude strongly depending on BC coating amount. Increases in BC coating result from a combination of changing sources and photochemical aging processes. When the influence of BrC is accounted for, observationally constrained model calculations of the BC absorption enhancement can be reconciled with the observations. We conclude that the influence of coatings on BC absorption should be treated as a source and regionally specific parameter in climate models. PMID:26419204

Enhanced light absorption by mixed source black and brown carbon particles in UK winter

DOE PAGES

Liu, Shang; Aiken, Allison C.; Gorkowski, Kyle; ...

2015-09-30

We report that black carbon (BC) and light-absorbing organic carbon (brown carbon, BrC) play key roles in warming the atmosphere, but the magnitude of their effects remains highly uncertain. Theoretical modelling and laboratory experiments demonstrate that coatings on BC can enhance BC’s light absorption, therefore many climate models simply assume enhanced BC absorption by a factor of ~1.5. However, recent field observations show negligible absorption enhancement, implying models may overestimate BC’s warming. Here we report direct evidence of substantial field-measured BC absorption enhancement, with the magnitude strongly depending on BC coating amount. Increases in BC coating result from a combinationmore » of changing sources and photochemical aging processes. When the influence of BrC is accounted for, observationally constrained model calculations of the BC absorption enhancement can be reconciled with the observations. In conclusion, we find that the influence of coatings on BC absorption should be treated as a source and regionally specific parameter in climate models.« less

Beam-plasma instability in the presence of low-frequency turbulence. [during type 3 solar emission

NASA Technical Reports Server (NTRS)

Goldman, M. V.; Dubois, D. F.

1982-01-01

General equations are derived for a linear beam-plasma instability in the presence of low-frequency turbulence. Within a 'quasi-linear' statistical approximation, these equations contain Langmuir wave scattering, diffusion, resonant and nonresonant anomalous absorption, and a 'plasma laser' effect. It is proposed that naturally occurring density irregularities in the solar wind may stabilize the beam-unstable Langmuir waves which occur during type III solar emissions.

Propagation Effects in the Assessment of Laser Damage Thresholds to the Eye and Skin

DTIC Science & Technology

2007-01-01

Conference on Optical Interactions with Tissue and Cells [18th] Held in San Jose, California on January 22-24, 2007 To order the complete compilation report...evaluation of the role of propagation with regard to laser damage to tissues. Regions of the optical spectrum, where linear and non-linear propagation...photo-chemical toxicity. Exposure limits commonly address skin and eye hazards through separate definitions. Differing optical absorption and scattering

[Bare Soil Moisture Inversion Model Based on Visible-Shortwave Infrared Reflectance].

PubMed

Zheng, Xiao-po; Sun, Yue-jun; Qin, Qi-ming; Ren, Hua-zhong; Gao, Zhong-ling; Wu, Ling; Meng, Qing-ye; Wang, Jin-liang; Wang, Jian-hua

2015-08-01

Soil is the loose solum of land surface that can support plants. It consists of minerals, organics, atmosphere, moisture, microbes, et al. Among its complex compositions, soil moisture varies greatly. Therefore, the fast and accurate inversion of soil moisture by using remote sensing is very crucial. In order to reduce the influence of soil type on the retrieval of soil moisture, this paper proposed a normalized spectral slope and absorption index named NSSAI to estimate soil moisture. The modeling of the new index contains several key steps: Firstly, soil samples with different moisture level were artificially prepared, and soil reflectance spectra was consequently measured using spectroradiometer produced by ASD Company. Secondly, the moisture absorption spectral feature located at shortwave wavelengths and the spectral slope of visible wavelengths were calculated after analyzing the regular spectral feature change patterns of different soil at different moisture conditions. Then advantages of the two features at reducing soil types' effects was synthesized to build the NSSAI. Thirdly, a linear relationship between NSSAI and soil moisture was established. The result showed that NSSAI worked better (correlation coefficient is 0.93) than most of other traditional methods in soil moisture extraction. It can weaken the influences caused by soil types at different moisture levels and improve the bare soil moisture inversion accuracy.

Effect of antimony (Sb) addition on the linear and non-linear optical properties of amorphous Ge-Te-Sb thin films

NASA Astrophysics Data System (ADS)

Kumar, P.; Kaur, J.; Tripathi, S. K.; Sharma, I.

2017-12-01

Non-crystalline thin films of Ge20Te80-xSbx (x = 0, 2, 4, 6, 10) systems were deposited on glass substrate using thermal evaporation technique. The optical coefficients were accurately determined by transmission spectra using Swanepoel envelope method in the spectral region of 400-1600 nm. The refractive index was found to increase from 2.38 to 2.62 with the corresponding increase in Sb content over the entire spectral range. The dispersion of refractive index was discussed in terms of the single oscillator Wemple-DiDomenico model. Tauc relation for the allowed indirect transition showed decrease in optical band gap. To explore non-linearity, the spectral dependence of third order susceptibility of a-Ge-Te-Sb thin films was evaluated from change of index of refraction using Miller's rule. Susceptibility values were found to enhance rapidly from 10-13 to 10-12 (esu), with the red shift in the absorption edge. Non-linear refractive index was calculated by Fourier and Snitzer formula. The values were of the order of 10-12 esu. At telecommunication wavelength, these non-linear refractive index values showed three orders higher than that of silica glass. Dielectric constant and optical conductivity were also reported. The prepared Sb doped thin films on glass substrate with observed improved functional properties have a noble prospect in the application of nonlinear optical devices and might be used for a high speed communication fiber. Non-linear parameters showed good agreement with the values given in the literature.

Improving Optical Absorption Models for Harsh Planetary Atmospheres: Laboratory Spectroscopy at Venus Surface Conditions

NASA Astrophysics Data System (ADS)

Cole, Ryan Kenneth; Schroeder, Paul James; Diego Draper, Anthony; Rieker, Gregory Brian

2018-06-01

Modelling absorption spectra in high pressure, high temperature environments is complicated by the increased relevance of higher order collisional phenomena (e.g. line mixing, collision-induced absorption, finite duration of collisions) that alter the spectral lineshape. Accurate reference spectroscopy in these conditions is of interest for mineralogy and radiative transfer studies of Venus as well as other dense planetary atmospheres. We present a new, high pressure, high temperature absorption spectroscopy facility at the University of Colorado Boulder. This facility employs a dual frequency comb absorption spectrometer to record broadband (500nm), high resolution (~0.002nm) spectra in conditions comparable to the Venus surface (730K, 90bar). Measurements of the near-infrared spectrum of carbon dioxide at high pressure and temperature will be compared to modeled spectra extrapolated from the HITRAN 2016 database as well as other published models that include additional collisional physics. This comparison gives insight into the effectiveness of existing absorption databases for modeling the lower Venus atmosphere as well as the need to expand absorption models to suit these conditions.

Semi-analytical Model for Estimating Absorption Coefficients of Optically Active Constituents in Coastal Waters

NASA Astrophysics Data System (ADS)

Wang, D.; Cui, Y.

2015-12-01

The objectives of this paper are to validate the applicability of a multi-band quasi-analytical algorithm (QAA) in retrieval absorption coefficients of optically active constituents in turbid coastal waters, and to further improve the model using a proposed semi-analytical model (SAA). The ap(531) and ag(531) semi-analytically derived using SAA model are quite different from the retrievals procedures of QAA model that ap(531) and ag(531) are semi-analytically derived from the empirical retrievals results of a(531) and a(551). The two models are calibrated and evaluated against datasets taken from 19 independent cruises in West Florida Shelf in 1999-2003, provided by SeaBASS. The results indicate that the SAA model produces a superior performance to QAA model in absorption retrieval. Using of the SAA model in retrieving absorption coefficients of optically active constituents from West Florida Shelf decreases the random uncertainty of estimation by >23.05% from the QAA model. This study demonstrates the potential of the SAA model in absorption coefficients of optically active constituents estimating even in turbid coastal waters. Keywords: Remote sensing; Coastal Water; Absorption Coefficient; Semi-analytical Model

Insulation Resistance and Leakage Currents in Low-Voltage Ceramic Capacitors with Cracks

NASA Technical Reports Server (NTRS)

Teverovsky, Alexander A.

2014-01-01

Measurement of insulation resistance (IR) in multilayer ceramic capacitors (MLCCs) is considered a screening technique that ensures the dielectric is defect-free. This work analyzes the effectiveness of this technique for revealing cracks in ceramic capacitors. It is shown that absorption currents prevail over the intrinsic leakage currents during standard IR measurements at room temperature. Absorption currents, and consequently IR, have a weak temperature dependence, increase linearly with voltage (before saturation), and are not sensitive to the presence of mechanical defects. In contrary, intrinsic leakage currents increase super-linearly with voltage and exponentially with temperature (activation energy is in the range from 0.6 eV to 1.1 eV). Leakage currents associated with the presence of cracks have a weaker dependence on temperature and voltage compared to the intrinsic leakage currents. For this reason, intrinsic leakage currents prevail at high temperatures and voltages, thus masking the presence of defects.

Absorption spectra of adenocarcinoma and squamous cell carcinoma cervical tissues

NASA Astrophysics Data System (ADS)

Ivashko, Pavlo; Peresunko, Olexander; Zelinska, Natalia; Alonova, Marina

2014-08-01

We studied a methods of assessment of a connective tissue of cervix in terms of specific volume of fibrous component and an optical density of staining of connective tissue fibers in the stroma of squamous cancer and cervix adenocarcinoma. An absorption spectra of blood plasma of the patients suffering from squamous cancer and cervix adenocarcinoma both before the surgery and in postsurgical periods were obtained. Linear dichroism measurements transmittance in polarized light at different orientations of the polarization plane relative to the direction of the dominant orientation in the structure of the sample of biotissues of stroma of squamous cancer and cervix adenocarcinoma were carried. Results of the investigation of the tumor tissues showed that the magnitude of the linear dichroism Δ is insignificant in the researched spectral range λ=280-840 nm and specific regularities in its change observed short-wave ranges.

Insulation Resistance and Leakage Currents in Low-Voltage Ceramic Capacitors with Cracks

NASA Technical Reports Server (NTRS)

Teverovsky, Alexander A.

2016-01-01

Measurement of insulation resistance (IR) in multilayer ceramic capacitors (MLCCs) is considered a screening technique that ensures the dielectric is defect-free. This work analyzes the effectiveness of this technique for revealing cracks in ceramic capacitors. It is shown that absorption currents prevail over the intrinsic leakage currents during standard IR measurements at room temperature. Absorption currents, and consequently IR, have a weak temperature dependence, increase linearly with voltage (before saturation), and are not sensitive to the presence of mechanical defects. In contrary, intrinsic leakage currents increase super-linearly with voltage and exponentially with temperature (activation energy is in the range from 0.6 eV to 1.1 eV). Leakage currents associated with the presence of cracks have a weaker dependence on temperature and voltage compared to the intrinsic leakage currents. For this reason, intrinsic leakage currents prevail at high temperatures and voltages, thus masking the presence of defects.

Polaron physics and crossover transition in magnetite probed by pressure-dependent infrared spectroscopy.

PubMed

Ebad-Allah, J; Baldassarre, L; Sing, M; Claessen, R; Brabers, V A M; Kuntscher, C A

2013-01-23

The optical properties of magnetite at room temperature were studied by infrared reflectivity measurements as a function of pressure up to 8 GPa. The optical conductivity spectrum consists of a Drude term, two sharp phonon modes, a far-infrared band at around 600 cm(-1) and a pronounced mid-infrared absorption band. With increasing pressure both absorption bands shift to lower frequencies and the phonon modes harden in a linear fashion. Based on the shape of the MIR band, the temperature dependence of the dc transport data, and the occurrence of the far-infrared band in the optical conductivity spectrum, the polaronic coupling strength in magnetite at room temperature should be classified as intermediate. For the lower energy phonon mode an abrupt increase of the linear pressure coefficient occurs at around 6 GPa, which could be attributed to minor alterations of the charge distribution among the different Fe sites.

Optical response in a laser-driven quantum pseudodot system

NASA Astrophysics Data System (ADS)

Kilic, D. Gul; Sakiroglu, S.; Ungan, F.; Yesilgul, U.; Kasapoglu, E.; Sari, H.; Sokmen, I.

2017-03-01

We investigate theoretically the intense laser-induced optical absorption coefficients and refractive index changes in a two-dimensional quantum pseudodot system under an uniform magnetic field. The effects of non-resonant, monochromatic intense laser field upon the system are treated within the framework of high-frequency Floquet approach in which the system is supposed to be governed by a laser-dressed potential. Linear and nonlinear absorption coefficients and relative changes in the refractive index are obtained by means of the compact-density matrix approach and iterative method. The results of numerical calculations for a typical GaAs quantum dot reveal that the optical response depends strongly on the magnitude of external magnetic field and characteristic parameters of the confinement potential. Moreover, we have demonstrated that the intense laser field modifies the confinement and thereby causes remarkable changes in the linear and nonlinear optical properties of the system.

Primary and aggregate color centers in proton irradiated LiF crystals and thin films for luminescent solid state detectors

NASA Astrophysics Data System (ADS)

Piccinini, M.; Ambrosini, F.; Ampollini, A.; Bonfigli, F.; Libera, S.; Picardi, L.; Ronsivalle, C.; Vincenti, M. A.; Montereali, R. M.

2015-04-01

Proton beams of 3 MeV energy, produced by the injector of a linear accelerator for proton therapy, were used to irradiate at room temperature lithium fluoride crystals and polycrystalline thin films grown by thermal evaporation. The irradiation fluence range was 1011-1015 protons/cm2. The proton irradiation induced the stable formation of primary and aggregate color centers. Their formation was investigated by optical absorption and photoluminescence spectroscopy. The F2 and F3+ photoluminescence intensities, carefully measured in LiF crystals and thin films, show linear behaviours up to different maximum values of the irradiation fluence, after which a quenching is observed, depending on the nature of the samples (crystals and films). The Principal Component Analysis, applied to the absorption spectra of colored crystals, allowed to clearly identify the formation of more complex aggregate defects in samples irradiated at highest fluences.

Comparison of absorption spectra of adenocarcinoma and squamous cell carcinoma cervical tissue

NASA Astrophysics Data System (ADS)

Peresunko, O. P.; Zelinska, N. V.; Prydij, O. G.; Zymnyakov, D. A.; Ushakova, O. V.

2013-12-01

We studied a methods of assessment of a connective tissue of cervix in terms of specific volume of fibrous component and an optical density of staining of connective tissue fibers in the stroma of squamous cancer and cervix adenocarcinoma. An absorption spectra of blood plasma of the patients suffering from squamous cancer and cervix adenocarcinoma both before the surgery and in postsurgical periods were obtained. Linear dichroism measurements transmittance in polarized light at different orientations of the polarization plane relative to the direction of the dominant orientation in the structure of the sample of biotissues of stroma of squamous cancer and cervix adenocarcinoma were carried. Results of the investigation of the tumor tissues showed that the magnitude of the linear dichroism Δ is insignificant in the researched spectral range λ=280-840 nm and specific regularities in its change observed short-wave ranges.

A Hybrid Density Functional Theory/Molecular Mechanics Approach for Linear Response Properties in Heterogeneous Environments.

PubMed

Rinkevicius, Zilvinas; Li, Xin; Sandberg, Jaime A R; Mikkelsen, Kurt V; Ågren, Hans

2014-03-11

We introduce a density functional theory/molecular mechanical approach for computation of linear response properties of molecules in heterogeneous environments, such as metal surfaces or nanoparticles embedded in solvents. The heterogeneous embedding environment, consisting from metallic and nonmetallic parts, is described by combined force fields, where conventional force fields are used for the nonmetallic part and capacitance-polarization-based force fields are used for the metallic part. The presented approach enables studies of properties and spectra of systems embedded in or placed at arbitrary shaped metallic surfaces, clusters, or nanoparticles. The capability and performance of the proposed approach is illustrated by sample calculations of optical absorption spectra of thymidine absorbed on gold surfaces in an aqueous environment, where we study how different organizations of the gold surface and how the combined, nonadditive effect of the two environments is reflected in the optical absorption spectrum.

Quantification of crystalline cellulose in lignocellulosic biomass using sum frequency generation (SFG) vibration spectroscopy and comparison with other analytical methods.

PubMed

Barnette, Anna L; Lee, Christopher; Bradley, Laura C; Schreiner, Edward P; Park, Yong Bum; Shin, Heenae; Cosgrove, Daniel J; Park, Sunkyu; Kim, Seong H

2012-07-01

The non-centrosymmetry requirement of sum frequency generation (SFG) vibration spectroscopy allows the detection and quantification of crystalline cellulose in lignocellulose biomass without spectral interferences from hemicelluloses and lignin. This paper shows a correlation between the amount of crystalline cellulose in biomass and the SFG signal intensity. Model biomass samples were prepared by mixing commercially available cellulose, xylan, and lignin to defined concentrations. The SFG signal intensity was found sensitive to a wide range of crystallinity, but varied non-linearly with the mass fraction of cellulose in the samples. This might be due to the matrix effects such as light scattering and absorption by xylan and lignin, as well as the non-linear density dependence of the SFG process itself. Comparison with other techniques such as XRD, FT-Raman, FT-IR and NMR demonstrate that SFG can be a complementary and sensitive tool to assess crystalline cellulose in biomass. Copyright © 2012 Elsevier Ltd. All rights reserved.

Projection-reduction method applied to deriving non-linear optical conductivity for an electron-impurity system

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

Kang, Nam Lyong; Lee, Sang-Seok; Graduate School of Engineering, Tottori University, 4-101 Koyama-Minami, Tottori

2013-07-15

The projection-reduction method introduced by the present authors is known to give a validated theory for optical transitions in the systems of electrons interacting with phonons. In this work, using this method, we derive the linear and first order nonlinear optical conductivites for an electron-impurity system and examine whether the expressions faithfully satisfy the quantum mechanical philosophy, in the same way as for the electron-phonon systems. The result shows that the Fermi distribution function for electrons, energy denominators, and electron-impurity coupling factors are contained properly in organized manners along with absorption of photons for each electron transition process in themore » final expressions. Furthermore, the result is shown to be represented properly by schematic diagrams, as in the formulation of electron-phonon interaction. Therefore, in conclusion, we claim that this method can be applied in modeling optical transitions of electrons interacting with both impurities and phonons.« less

A DERATING METHOD FOR THERAPEUTIC APPLICATIONS OF HIGH INTENSITY FOCUSED ULTRASOUND

PubMed Central

Bessonova, O.V.; Khokhlova, V.A.; Canney, M.S.; Bailey, M.R.; Crum, L.A.

2010-01-01

Current methods of determining high intensity focused ultrasound (HIFU) fields in tissue rely on extrapolation of measurements in water assuming linear wave propagation both in water and in tissue. Neglecting nonlinear propagation effects in the derating process can result in significant errors. In this work, a new method based on scaling the source amplitude is introduced to estimate focal parameters of nonlinear HIFU fields in tissue. Focal values of acoustic field parameters in absorptive tissue are obtained from a numerical solution to a KZK-type equation and are compared to those simulated for propagation in water. Focal waveforms, peak pressures, and intensities are calculated over a wide range of source outputs and linear focusing gains. Our modeling indicates, that for the high gain sources which are typically used in therapeutic medical applications, the focal field parameters derated with our method agree well with numerical simulation in tissue. The feasibility of the derating method is demonstrated experimentally in excised bovine liver tissue. PMID:20582159

A derating method for therapeutic applications of high intensity focused ultrasound

NASA Astrophysics Data System (ADS)

Bessonova, O. V.; Khokhlova, V. A.; Canney, M. S.; Bailey, M. R.; Crum, L. A.

2010-05-01

Current methods of determining high intensity focused ultrasound (HIFU) fields in tissue rely on extrapolation of measurements in water assuming linear wave propagation both in water and in tissue. Neglecting nonlinear propagation effects in the derating process can result in significant errors. A new method based on scaling the source amplitude is introduced to estimate focal parameters of nonlinear HIFU fields in tissue. Focal values of acoustic field parameters in absorptive tissue are obtained from a numerical solution to a KZK-type equation and are compared to those simulated for propagation in water. Focal wave-forms, peak pressures, and intensities are calculated over a wide range of source outputs and linear focusing gains. Our modeling indicates, that for the high gain sources which are typically used in therapeutic medical applications, the focal field parameters derated with our method agree well with numerical simulation in tissue. The feasibility of the derating method is demonstrated experimentally in excised bovine liver tissue.

A DERATING METHOD FOR THERAPEUTIC APPLICATIONS OF HIGH INTENSITY FOCUSED ULTRASOUND.

PubMed

Bessonova, O V; Khokhlova, V A; Canney, M S; Bailey, M R; Crum, L A

2010-01-01

Current methods of determining high intensity focused ultrasound (HIFU) fields in tissue rely on extrapolation of measurements in water assuming linear wave propagation both in water and in tissue. Neglecting nonlinear propagation effects in the derating process can result in significant errors. In this work, a new method based on scaling the source amplitude is introduced to estimate focal parameters of nonlinear HIFU fields in tissue. Focal values of acoustic field parameters in absorptive tissue are obtained from a numerical solution to a KZK-type equation and are compared to those simulated for propagation in water. Focal waveforms, peak pressures, and intensities are calculated over a wide range of source outputs and linear focusing gains. Our modeling indicates, that for the high gain sources which are typically used in therapeutic medical applications, the focal field parameters derated with our method agree well with numerical simulation in tissue. The feasibility of the derating method is demonstrated experimentally in excised bovine liver tissue.

Bright and dark singlet excitons via linear and two-photon spectroscopy in monolayer transition metal dichalcogenides

DOE PAGES

Berkelbach, Timothy C.; Hybertsen, Mark S.; Reichmann, David R.

2015-08-10

We discuss the linear and two-photon spectroscopic selection rules for spin-singlet excitons in monolayer transition-metal dichalcogenides. Our microscopic formalism combines a fully k-dependent few-orbital band structure with a many-body Bethe-Salpeter equation treatment of the electron-hole interaction, using a model dielectric function. We show analytically and numerically that the single-particle, valley-dependent selection rules are preserved in the presence of excitonic effects. Furthermore, we definitively demonstrate that the bright (one-photon allowed) excitons have s-type azimuthal symmetry and that dark p-type excitons can be probed via two-photon spectroscopy. Thus, the screened Coulomb interaction in these materials substantially deviates from the 1/ε₀r form; thismore » breaks the “accidental” angular momentum degeneracy in the exciton spectrum, such that the 2p exciton has a lower energy than the 2s exciton by at least 50 meV. We compare our calculated two-photon absorption spectra to recent experimental measurements.« less

Application of stochastic particle swarm optimization algorithm to determine the graded refractive index distribution in participating media

NASA Astrophysics Data System (ADS)

Wei, Lin-Yang; Qi, Hong; Ren, Ya-Tao; Ruan, Li-Ming

2016-11-01

Inverse estimation of the refractive index distribution in one-dimensional participating media with graded refractive index (GRI) is investigated. The forward radiative transfer problem is solved by the Chebyshev collocation spectral method. The stochastic particle swarm optimization (SPSO) algorithm is employed to retrieve three kinds of GRI distribution, i.e. the linear, sinusoidal and quadratic GRI distribution. The retrieval accuracy of GRI distribution with different wall emissivity, optical thickness, absorption coefficients and scattering coefficients are discussed thoroughly. To improve the retrieval accuracy of quadratic GRI distribution, a double-layer model is proposed to supply more measurement information. The influence of measurement errors upon the precision of estimated results is also investigated. Considering the GRI distribution is unknown beforehand in practice, a quadratic function is employed to retrieve the linear GRI by SPSO algorithm. All the results show that the SPSO algorithm is applicable to retrieve different GRI distributions in participating media accurately even with noisy data.

Asymmetric Base-Bleed Effect on Aerospike Plume-Induced Base-Heating Environment

NASA Technical Reports Server (NTRS)

Wang, Ten-See; Droege, Alan; DAgostino, Mark; Lee, Young-Ching; Williams, Robert

2004-01-01

A computational heat transfer design methodology was developed to study the dual-engine linear aerospike plume-induced base-heating environment during one power-pack out, in ascent flight. It includes a three-dimensional, finite volume, viscous, chemically reacting, and pressure-based computational fluid dynamics formulation, a special base-bleed boundary condition, and a three-dimensional, finite volume, and spectral-line-based weighted-sum-of-gray-gases absorption computational radiation heat transfer formulation. A separate radiation model was used for diagnostic purposes. The computational methodology was systematically benchmarked. In this study, near-base radiative heat fluxes were computed, and they compared well with those measured during static linear aerospike engine tests. The base-heating environment of 18 trajectory points selected from three power-pack out scenarios was computed. The computed asymmetric base-heating physics were analyzed. The power-pack out condition has the most impact on convective base heating when it happens early in flight. The source of its impact comes from the asymmetric and reduced base bleed.

Analysis on nonlinear optical properties of Cd (Zn) Se quantum dots synthesized using three different stabilizing agents

NASA Astrophysics Data System (ADS)

J, Joy Sebastian Prakash; G, Vinitha; Ramachandran, Murugesan; Rajamanickam, Karunanithi

2017-10-01

Three different stabilizing agents, namely, L-cysteine, Thioglycolic acid and cysteamine hydrochloride were used to synthesize Cd(Zn)Se quantum dots (QDs). It was characterized using UV-vis spectroscopy, x-ray diffraction (XRD) and transmission electron microscopy (TEM). The non-linear optical properties (non-linear absorption and non-linear refraction) of synthesized Cd(Zn)Se quantum dots were studied with z-scan technique using diode pumped continuous wavelaser system at a wavelength of 532 nm. Our (organic) synthesized quantum dots showed optical properties similar to the inorganic materials reported elsewhere.

Measurements of the Absorption by Auditorium SEATING—A Model Study

NASA Astrophysics Data System (ADS)

BARRON, M.; COLEMAN, S.

2001-01-01

One of several problems with seat absorption is that only small numbers of seats can be tested in standard reverberation chambers. One method proposed for reverberation chamber measurements involves extrapolation when the absorption coefficient results are applied to actual auditoria. Model seat measurements in an effectively large model reverberation chamber have allowed the validity of this extrapolation to be checked. The alternative barrier method for reverberation chamber measurements was also tested and the two methods were compared. The effect on the absorption of row-row spacing as well as absorption by small numbers of seating rows was also investigated with model seats.

Tailorable Exciton Transport in Doped Peptide–Amphiphile Assemblies

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

Solomon, Lee A.; Sykes, Matthew E.; Wu, Yimin A.

Light-harvesting biomaterials are an attractive target in photovoltaics, photocatalysis, and artificial photosynthesis. Through peptide self-assembly, complex nanostructures can be engineered to study the role of chromophore organization during light absorption and energy transport. To this end, we demonstrate the one-dimensional transport of excitons along naturally occurring, light-harvesting, Zn-protoporphyrin IX chromophores within self-assembled peptide-amphiphile nanofibers. The internal structure of the nanofibers induces packing of the porphyrins into linear chains. We find that this peptide assembly can enable long-range exciton diffusion, yet it also induces the formation of excimers between adjacent molecules, which serve as exciton traps. Electronic coupling between neighboring porphyrinmore » molecules is confirmed by various spectroscopic methods. The exciton diffusion process is then probed through transient photoluminescence and absorption measurements and fit to a model for one-dimensional hopping. Because excimer formation impedes exciton hopping, increasing the interchromophore spacing allows for improved diffusivity, which we control through porphyrin doping levels. We show that diffusion lengths of over 60 nm are possible at low porphyrin doping, representing an order of magnitude improvement over the highest doping fractions.« less

Collisional Processing of Comet and Asteroid Surfaces: Velocity Effects on Absorption Spectra

NASA Technical Reports Server (NTRS)

Lederer, S. M.; Jensen, E. A.; Wooden, D. H.; Lindsay, S. S.; Smith, D. C.; Nakamura-Messenger, K.; Keller, L. P.; Cintala, M. J.; Zolensky, M. E.

2012-01-01

A new paradigm has emerged where 3.9 Gyr ago, a violent reshuffling reshaped the placement of small bodies in the solar system (the Nice model). Surface properties of these objects may have been affected by collisions caused by this event, and by collisions with other small bodies since their emplacement. These impacts affect the spectrographic observations of these bodies today. Shock effects (e.g., planar dislocations) manifest in minerals allowing astronomers to better understand geophysical impact processing that has occurred on small bodies. At the Experimental Impact Laboratory at NASA Johnson Space Center, we have impacted forsterite and enstatite across a range of velocities. We find that the amount of spectral variation, absorption wavelength, and full width half maximum of the absorbance peaks vary non-linearly with the velocity of the impact. We also find that the spectral variation increases with decreasing crystal size (single solid rock versus granular). Future analyses include quantification of the spectral changes with different impactor densities, temperature, and additional impact velocities. Results on diopside, fayalite, and magnesite can be found in Lederer et al., this meeting.

Two-photon absorption induced stimulated Rayleigh-Bragg scattering

NASA Astrophysics Data System (ADS)

He, Guang S.; Prasad, Paras N.

2005-01-01

A frequency-unshifted and backward stimulated scattering can be efficiently generated in one-photon-absorption free but two-photon absorbing materials. Using a number of novel two-photon absorbing dye solutions as the scattering media and nanosecond pulsed laser as the pump beams, a highly directional backward stimulated scattering at the exact pump wavelength can be readily observed once the pump intensity is higher than a certain threshold level. The spectral and spatial structures as well as the temporal behavior and optical phase-conjugation property of this new type of backward stimulated scattering have been experimentally studied. This stimulated scattering phenomenon can be explained by using a model of two-photon-excitation enhanced standing-wave Bragg grating initially formed by the strong forward pump beam and much weaker backward Rayleigh scattering beam; the partial reflection of the pump beam from this grating provides an positive feedback to the initial backward Rayleigh scattering beam without suffering linear attenuation influence. Comparing to other known stimulated (Raman, Brillouin, Rayleigh-wing, and Kerr) scattering effects, the stimulated Rayleigh-Bragg scattering exhibits the advantages of no frequency-shift, low pump threshold, and low spectral linewidth requirement.

Overview of the new capabilities of TORIC-v6 and comparison with TORIC-v5

NASA Astrophysics Data System (ADS)

Bilato, R.; Brambilla, M.; Bertelli, N.

2016-10-01

Since its release, version 5 (v5) of the full-wave TORIC code, characterized by an optimized parallelized solver for its routinely use in TRANSP package, has been ameliorated in many technical issues, e.g. the plasma-vacuum transition and the full-spectrum antenna modeling. For the WPCD-benchmark cases a good agreement between the new version, v6, and v5 is found. The major improvement, however, has been done in interfacing TORIC-v6 with the Fokker-Planck SSFPQL solver to account for the back-reaction of ICRF and NBI heating on the wave propagation and absorption. Special algorithms have been developed for SSFPQL for the numerical precision at high pitch-angle resolution and to evaluate the generalized dispersion function directly from the numerical solution. Care has been spent in automatizing the non-linear loop between TORIC-v6 and SSFPQL. In v6 the description of wave absorption at high-harmonics has been revised and applied to DEMO. For high-harmonic regimes there is an ongoing activity on the comparison with AORSA.

Computational photoacoustic imaging with sparsity-based optimization of the initial pressure distribution

NASA Astrophysics Data System (ADS)

Shang, Ruibo; Archibald, Richard; Gelb, Anne; Luke, Geoffrey P.

2018-02-01

In photoacoustic (PA) imaging, the optical absorption can be acquired from the initial pressure distribution (IPD). An accurate reconstruction of the IPD will be very helpful for the reconstruction of the optical absorption. However, the image quality of PA imaging in scattering media is deteriorated by the acoustic diffraction, imaging artifacts, and weak PA signals. In this paper, we propose a sparsity-based optimization approach that improves the reconstruction of the IPD in PA imaging. A linear imaging forward model was set up based on time-and-delay method with the assumption that the point spread function (PSF) is spatial invariant. Then, an optimization equation was proposed with a regularization term to denote the sparsity of the IPD in a certain domain to solve this inverse problem. As a proof of principle, the approach was applied to reconstructing point objects and blood vessel phantoms. The resolution and signal-to-noise ratio (SNR) were compared between conventional back-projection and our proposed approach. Overall these results show that computational imaging can leverage the sparsity of PA images to improve the estimation of the IPD.

Carbon monoxide in indoor ice skating rinks: Evaluation of absorption by adult hockey players

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

Levesque, B.; Dewailly, E.; Lavoie, R.

1990-05-01

We evaluated alveolar carbon monoxide (CO) levels of 122 male, adult hockey players active in recreational leagues of the Quebec City region (Canada), before and after 10 weekly 90-minute games in 10 different rinks. We also determined exposure by quantifying the average CO level in the rink during the games. Other variables documented included age, pulmonary function, aerobic capacity, and smoking status. Environmental concentrations varied from 1.6 to 131.5 parts per million (ppm). We examined the absorption/exposure relationship using a simple linear regression model. In low CO exposure levels, physical exercise lowered the alveolar CO concentration. However, we noted thatmore » for each 10 ppm of CO in the ambient air, the players had adsorbed enough CO to raise their carboxyhemoglobin (COHb) levels by 1 percent. This relationship was true both for smokers and non-smokers. We suggest that an average environmental concentration of 20 ppm of CO for the duration of a hockey game (90 minutes) should be reference limit not to be exceeded in indoor skating rinks.« less

Tailorable Exciton Transport in Doped Peptide-Amphiphile Assemblies.

PubMed

Solomon, Lee A; Sykes, Matthew E; Wu, Yimin A; Schaller, Richard D; Wiederrecht, Gary P; Fry, H Christopher

2017-09-26

Light-harvesting biomaterials are an attractive target in photovoltaics, photocatalysis, and artificial photosynthesis. Through peptide self-assembly, complex nanostructures can be engineered to study the role of chromophore organization during light absorption and energy transport. To this end, we demonstrate the one-dimensional transport of excitons along naturally occurring, light-harvesting, Zn-protoporphyrin IX chromophores within self-assembled peptide-amphiphile nanofibers. The internal structure of the nanofibers induces packing of the porphyrins into linear chains. We find that this peptide assembly can enable long-range exciton diffusion, yet it also induces the formation of excimers between adjacent molecules, which serve as exciton traps. Electronic coupling between neighboring porphyrin molecules is confirmed by various spectroscopic methods. The exciton diffusion process is then probed through transient photoluminescence and absorption measurements and fit to a model for one-dimensional hopping. Because excimer formation impedes exciton hopping, increasing the interchromophore spacing allows for improved diffusivity, which we control through porphyrin doping levels. We show that diffusion lengths of over 60 nm are possible at low porphyrin doping, representing an order of magnitude improvement over the highest doping fractions.