Cloud point extraction and diffuse reflectance-Fourier transform infrared spectroscopic determination of chromium(VI): A probe to adulteration in food stuffs.

PubMed

Tiwari, Swapnil; Deb, Manas Kanti; Sen, Bhupendra K

2017-04-15

A new cloud point extraction (CPE) method for the determination of hexavalent chromium i.e. Cr(VI) in food samples is established with subsequent diffuse reflectance-Fourier transform infrared (DRS-FTIR) analysis. The method demonstrates enrichment of Cr(VI) after its complexation with 1,5-diphenylcarbazide. The reddish-violet complex formed showed λ max at 540nm. Micellar phase separation at cloud point temperature of non-ionic surfactant, Triton X-100 occurred and complex was entrapped in surfactant and analyzed using DRS-FTIR. Under optimized conditions, the limit of detection (LOD) and quantification (LOQ) were 1.22 and 4.02μgmL -1 , respectively. Excellent linearity with correlation coefficient value of 0.94 was found for the concentration range of 1-100μgmL -1 . At 10μgmL -1 the standard deviation for 7 replicate measurements was found to be 0.11μgmL -1 . The method was successfully applied to commercially marketed food stuffs, and good recoveries (81-112%) were obtained by spiking the real samples. Copyright © 2016 Elsevier Ltd. All rights reserved.

Monitoring Prepregs As They Cure

NASA Technical Reports Server (NTRS)

Young, P. R.; Gleason, J. R.; Chang, A. C.

1986-01-01

Quality IR spectra obtained in dynamic heating environment. New technique obtains quality infrared spectra on graphite-fiber-reinforced, polymeric-matrix-resin prepregs as they cure. Technique resulted from modification of diffuse reflectance/Fourier transform infrared (DR/FTIR) technique previously used to analyze environmentally exposed cured graphite composites. Technique contribute to better understanding of prepreg chemistry/temperature relationships and development of more efficient processing cycles for advanced materials.

Analysis of hard-to-cook red and black common beans using Fourier transform infrared spectroscopy.

PubMed

Maurer, Giselle A; Ozen, Banu F; Mauer, Lisa J; Nielsen, S Suzanne

2004-03-24

Extracted fractions from black and red common beans (Phaseolus vulgaris) were studied using Fourier transform infrared spectroscopy (FT-IR). Beans were stored under three conditions: control at 4 degrees C; hard-to-cook (HTC) at 29 degrees C, 65% RH for 3.5 months; and refrigerated at 2 degrees C, 79% RH for 3.5 months after a HTC period (called HTC-refrigerated). Two fractions isolated from the beans, the soluble pectin fraction (SPF) and the water insoluble residue of the cell wall (WIRCW), were analyzed using diffuse reflectance (DRIFTS) FT-IR. The soaking water and cooking water from the beans were also studied using attenuated total reflectance (ATR) FT-IR. The DRIFTS FT-IR results from the SPF and WIRCW fractions were consistent with previously published data for Carioca beans showing that in general, more phenolic compounds were associated with the SPF of HTC beans than in the control beans. Results also showed that HTC-refrigerated beans had higher concentrations of phenolic compounds than control beans in the SPF. The ATR FT-IR results for soaking and cooking waters from the HTC-refrigerated and HTC beans had higher concentrations of absorbing compounds than the control beans, indicating that they lost more constituents to the water. Additionally, results indicate that the mechanism(s) for reversibility of the HTC defect could be different than the one(s) involved in the development of the defect.

Characterisation of oil and aluminium complex on replica and historical 19th c. Turkey red textiles by non-destructive diffuse reflectance FTIR spectroscopy.

PubMed

Wertz, Julie H; Tang, Pik Leung; Quye, Anita; France, David J

2018-06-11

This work investigates historical and replica Turkey red textiles with diffuse reflectance infrared (DRIFT) spectroscopy to study the coordination complex between cellulose, fatty acids, and the aluminium ions that form the basis of the colour lake. Turkey red was produced in Scotland for around 150 years, and is held in many museum and archive collections. The textile was renowned for its brilliant red hue, and for its fastness to light, washing, rubbing, and bleaching. This was attributed to its unusual preparatory process, the chemistry of which was never fully understood, that involved imbuing cotton with a solution of aqueous fatty acids and then aluminium in the following step. Here we show, for the first time, a characterisation of the Turkey red complex on replica and historical textiles. The development of techniques for non-destructive and in situ analysis of historical textiles is valuable for improving understanding of their chemistry, hopefully contributing to better conservation and display practices. The results show the fatty acids condense onto the cellulose polymer via hydrogen bonding between the CO and OH of the respective compounds, then the aluminium forms a bridging complex with the fatty acid carboxyl. This contributes to an improved understanding of Turkey red textiles, and shows the useful application of handheld diffuse FTIR instruments for heritage textile research. Copyright © 2018. Published by Elsevier B.V.

Cleanliness evaluation of rough surfaces with diffuse IR reflectance

NASA Technical Reports Server (NTRS)

Pearson, L. H.

1995-01-01

Contamination on bonding surfaces has been determined to be a primary cause for degraded bond strength in certain solid rocket motor bondlines. Hydrocarbon and silicone based organic contaminants that are airborne or directly introduced to a surface are a significant source of contamination. Diffuse infrared (IR) reflectance has historically been used as an effective technique for detection of organic contaminants, however, common laboratory methods involving the use of a Fourier transform IR spectrometer (FTIR) are impractical for inspecting the large bonding surface areas found on solid rocket motors. Optical methods involving the use of acousto-optic tunable filters and fixed bandpass optical filters are recommended for increased data acquisition speed. Testing and signal analysis methods are presented which provide for simultaneous measurement of contamination concentration and roughness level on rough metal surfaces contaminated with hydrocarbons.

The effects of esterified solvents on the diffusion of a model compound across human skin: an ATR-FTIR spectroscopic study.

PubMed

McAuley, W J; Chavda-Sitaram, S; Mader, K T; Tetteh, J; Lane, M E; Hadgraft, J

2013-04-15

Attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy has been used to investigate the effects of three fatty acid esters on skin permeation. Propylene glycol diperlargonate (DPPG), isopropyl myristate (IPM) and isostearyl isostearate (ISIS) were selected as pharmaceutically relevant solvents with a range of lipophilicities and cyanophenol (CNP) was used as a model drug. The resultant data were compared with that obtained when water was used as the solvent. The diffusion of CNP, DPPG and IPM across epidermis was successfully described by a Fickian model. When ISIS was used as a solvent Fickian behaviour was only obtained across isolated stratum corneum suggesting that the hydrophilic layers of the epidermis interfere with the permeation of the hydrophobic ISIS. The diffusion coefficients of CNP across epidermis in the different solvents were not significantly different. Using chemometric data analysis diffusion profiles for the solvents were deconvoluted from that of the skin and modelled. Each of these solvents was found to diffuse at a faster rate across the skin than CNP. DPPG considerably increased the concentration of CNP in the stratum corneum in comparison with the other solvents indicating strong penetration enhancer potential. In contrast IPM produced a similar CNP concentration in the stratum corneum to water with ISIS resulting in a lower CNP concentration suggesting negligible enhancement and penetration retardation effects for these two solvents respectively. Copyright © 2013 Elsevier B.V. All rights reserved.

Fourier transform-infrared spectroscopic methods for microbial ecology: analysis of bacteria, bacteria-polymer mixtures and biofilms

NASA Technical Reports Server (NTRS)

Nichols, P. D.; Henson, J. M.; Guckert, J. B.; Nivens, D. E.; White, D. C.

1985-01-01

Fourier transform-infrared (FT-IR) spectroscopy has been used to rapidly and nondestructively analyze bacteria, bacteria-polymer mixtures, digester samples and microbial biofilms. Diffuse reflectance FT-IR (DRIFT) analysis of freeze-dried, powdered samples offered a means of obtaining structural information. The bacteria examined were divided into two groups. The first group was characterized by a dominant amide I band and the second group of organisms displayed an additional strong carbonyl stretch at approximately 1740 cm-1. The differences illustrated by the subtraction spectra obtained for microbes of the two groups suggest that FT-IR spectroscopy can be utilized to recognize differences in microbial community structure. Calculation of specific band ratios has enabled the composition of bacteria and extracellular or intracellular storage product polymer mixtures to be determined for bacteria-gum arabic (amide I/carbohydrate C-O approximately 1150 cm-1) and bacteria-poly-beta-hydroxybutyrate (amide I/carbonyl approximately 1740 cm-1). The key band ratios correlate with the compositions of the material and provide useful information for the application of FT-IR spectroscopy to environmental biofilm samples and for distinguishing bacteria grown under differing nutrient conditions. DRIFT spectra have been obtained for biofilms produced by Vibrio natriegens on stainless steel disks. Between 48 and 144 h, an increase in bands at approximately 1440 and 1090 cm-1 was seen in FT-IR spectra of the V. natriegens biofilm. DRIFT spectra of mixed culture effluents of anaerobic digesters show differences induced by shifts in input feedstocks. The use of flow-through attenuated total reflectance has permitted in situ real-time changes in biofilm formation to be monitored and provides a powerful tool for understanding the interactions within adherent microbial consortia.

Methodological effects in Fourier transform infrared (FTIR) spectroscopy: Implications for structural analyses of biomacromolecular samples

NASA Astrophysics Data System (ADS)

Kamnev, Alexander A.; Tugarova, Anna V.; Dyatlova, Yulia A.; Tarantilis, Petros A.; Grigoryeva, Olga P.; Fainleib, Alexander M.; De Luca, Stefania

2018-03-01

A set of experimental data obtained by Fourier transform infrared (FTIR) spectroscopy (involving the use of samples ground and pressed with KBr, i.e. in a polar halide matrix) and by matrix-free transmission FTIR or diffuse reflectance infrared Fourier transform (DRIFT) spectroscopic methodologies (involving measurements of thin films or pure powdered samples, respectively) were compared for several different biomacromolecular substances. The samples under study included poly-3-hydroxybutyrate (PHB) isolated from cell biomass of the rhizobacterium Azospirillum brasilense; dry PHB-containing A. brasilense biomass; pectin (natural carboxylated heteropolysaccharide of plant origin; obtained from apple peel) as well as its chemically modified derivatives obtained by partial esterification of its galacturonide-chain hydroxyl moieties with palmitic, oleic and linoleic acids. Significant shifts of some FTIR vibrational bands related to polar functional groups of all the biomacromolecules under study, induced by the halide matrix used for preparing the samples for spectroscopic measurements, were shown and discussed. A polar halide matrix used for preparing samples for FTIR measurements was shown to be likely to affect band positions not only per se, by affecting band energies or via ion exchange (e.g., with carboxylate moieties), but also by inducing crystallisation of metastable amorphous biopolymers (e.g., PHB of microbial origin). The results obtained have important implications for correct structural analyses of polar, H-bonded and/or amphiphilic biomacromolecular systems using different methodologies of FTIR spectroscopy.

Use of photoacoustic mid-infrared spectroscopy to characterize soil properties and soil organic matter stability

NASA Astrophysics Data System (ADS)

Peltre, Clement; Bruun, Sander; Du, Changwen; Stoumann Jensen, Lars

2014-05-01

The persistence of soil organic matter (SOM) is recognized as a major ecosystem property due to its key role in earth carbon cycling, soil quality and ecosystem services. SOM stability is typically studied using biological methods such as measuring CO2-C evolution from microbial decomposition of SOM during laboratory incubation or by physical or chemical fractionation methods, allowing the separation of a labile fraction of SOM. However these methods are time consuming and there is still a need for developing reliable techniques to characterize SOM stability, providing both quantitative measurements and qualitative information, in order to improve our understanding of the mechanisms controlling SOM persistence. Several spectroscopic techniques have been used to characterize and predict SOM stability, such as near infrared reflectance spectroscopy (NIRS) and diffuse reflectance mid-infrared spectroscopy (DRIFT). The latter allows a proper identification of spectral regions corresponding to vibrations of specific molecular or functional groups associated with SOM lability. However, reflectance spectroscopy for soil analyses raises some difficulties related to the low reflectance of soils, and to the high influence of particle size. In the last three decades, the progresses in microphone sensitivity dramatically increased the performance of photoacoustic Fourier transform mid-infrared spectroscopy (FTIR-PAS). This technique offers benefits over reflectance spectroscopy techniques, because particle size and the level of sample reflectance have little effect of on the PAS signal, since FTIR-PAS is a direct absorption technique. Despite its high potential for soil analysis, only a limited number of studies have so far applied FTIR-PAS for soil characterization and its potential for determining SOM degradability still needs to be investigated. The objective of this study was to assess the potential of FTIR-PAS for the characterization of SOM decomposability during laboratory incubation and more classical soil parameters such as carbon and clay content for a range of 36 soils collected from various field experiments in Denmark. Partial least square (PLS) regression was used to correlate the collected FTIR-PAS spectra with the proportion of soil organic carbon mineralized after 34 weeks of incubation at 15° C and pF 2, taken as an indicator of the labile fraction of SOM. Results showed that it is possible to predict the labile fraction of SOM with FTIR PAS with similar accuracy as with NIRS (assessed in a previous study on the same soil set). FTIR-PAS offered the advantage over NIRS to allow identification of the chemical compounds positively or negatively correlated with the labile fraction of SOM. The band at 1612 cm-1 corresponding to polysaccharides, pectin and aromatic C=C was the band most positively correlated with labile SOM, which we attributed to the relative lability of fresh plant debris rich in polysaccharide and aromatic lignin. The band at 1560-1590 cm-1 assigned to N=H, C=N and aromatic C=C vibration was the band most negatively correlated with the labile fraction of SOM, confirming the abundance of nitrogenous and aromatic compounds in stabilized SOM. In conclusion, FTIR-PAS has proved to be a powerful tool to characterize the labile fraction of SOM, offering several benefits over reflectance spectroscopy techniques.

Penetration enhancer-containing vesicles (PEVs) as carriers for cutaneous delivery of minoxidil: in vitro evaluation of drug permeation by infrared spectroscopy.

PubMed

Mura, Simona; Manconi, Maria; Fadda, Anna Maria; Sala, Maria Chiara; Perricci, Jacopo; Pini, Elena; Sinico, Chiara

2013-01-01

Recently, we carried out a research on new liposomal systems prepared by using in their composition a few penetration enhancers which differ for chemical structure and physicochemical properties. The penetration enhancer-containing vesicles (PEVs) were prepared by using soy lecithin and different amounts of three penetration enhancers, 2-(2-ethoxyethoxy) ethanol (Transcutol(®)), capryl-caproyl macrogol 8-glyceride (Labrasol(®)), and cineole.To study the influence of the PEVs on (trans)dermal delivery of minoxidil, in vitro diffusion experiments were performed through new born pig skin and the results were compared with that obtained applying the vesicular system without enhancer (control) after pretreatment of the skin with the various enhancers. In this study, Fourier transform infrared spectroscopy (FTIR), attenuated total reflectance FTIR (ATR-FTIR) and FTIR imaging were used to evaluate the effective penetration of minoxidil in the skin layers and to discover the influence of the enhancer on the drug topical delivery. These analytical studies allowed us to characterize the drug formulations and to evaluate the vesicle distribution into the skin. Recorded spectra confirmed that the vesicle formulations with penetration enhancers promoted drug deposition into the skin.

Hydroxyl and molecular H2O diffusivity in a haploandesitic melt

NASA Astrophysics Data System (ADS)

Ni, Huaiwei; Xu, Zhengjiu; Zhang, Youxue

2013-02-01

H2O diffusion in a haploandesitic melt (a high-silica and Fe-free andesitic melt, NBO/T = 0.173) has been investigated at 1 GPa in a piston-cylinder apparatus. We adopted a double diffusion couple technique, in which one couple was composed of a nominally anhydrous glass with 0.01 wt.% H2O and a hydrous glass with 5.7 wt.% H2O, and the other contained the same nominally anhydrous glass and a hydrous glass with 3.3 wt.% H2O. Both couples were annealed in a single experimental run and hence experienced exactly the same P-T history, which is crucial for constraining the dependence of H2O diffusivity on water content. H2O concentration profiles were measured by both Fourier transform infrared (FTIR) microspectroscopy and confocal Raman microspectroscopy. Nearly identical profiles were obtained from Raman and FTIR methods for profile length >1 mm (produced at 1619-1842 K). By contrast, for profile lengths <100 μm (produced at 668-768 K), FTIR profiles show marked convolution effects compared to Raman profiles. A comparison between the short FTIR and Raman profiles indicates that the real spatial resolution (FWHM) of FTIR analyses is about 28 μm for a 7 μm wide aperture on ˜200 μm thick glasses. While the short profiles are not reliable for quantitative modeling, the long diffusion profiles at superliquidus temperatures can be fit reasonably well by a diffusivity model previously developed for felsic melts, in which molecular H2O (H2Om) is the only diffusive species and its diffusivity (D) increases exponentially with the content of total water (H2Ot). However, there is noticeable misfit of the data at low H2Ot concentrations, suggesting that OH diffusivity (DOH) cannot be neglected in this andesitic melt at high temperatures and low water contents. We hence develop a new fitting procedure that simultaneously fits both diffusion profiles from a single experimental run and accounts for the roles of both OH and H2Om diffusion. With this procedure, DOH/D is constrained to be 0.1-0.2 at 1619-1842 K as H2Ot concentration approaches zero. The obtained OH diffusivity is similar to fluorine diffusivity but is much higher than Eyring diffusivity.

Mirrorlike pulsed laser deposited tungsten thin film.

PubMed

Mostako, A T T; Rao, C V S; Khare, Alika

2011-01-01

Mirrorlike tungsten thin films on stainless steel substrate deposited via pulsed laser deposition technique in vacuum (10(-5) Torr) is reported, which may find direct application as first mirror in fusion devices. The crystal structure of tungsten film is analyzed using x-ray diffraction pattern, surface morphology of the tungsten films is studied with scanning electron microscope and atomic force microscope. The film composition is identified using energy dispersive x-ray. The specular and diffuse reflectivities with respect to stainless steel substrate of the tungsten films are recorded with FTIR spectra. The thickness and the optical quality of pulsed laser deposition deposited films are tested via interferometric technique. The reflectivity is approaching about that of the bulk for the tungsten film of thickness ∼782 nm.

On-line database of voltammetric data of immobilized particles for identifying pigments and minerals in archaeometry, conservation and restoration (ELCHER database).

PubMed

Doménech-Carbó, Antonio; Doménech-Carbó, María Teresa; Valle-Algarra, Francisco Manuel; Gimeno-Adelantado, José Vicente; Osete-Cortina, Laura; Bosch-Reig, Francisco

2016-07-13

A web-based database of voltammograms is presented for characterizing artists' pigments and corrosion products of ceramic, stone and metal objects by means of the voltammetry of immobilized particles methodology. Description of the website and the database is provided. Voltammograms are, in most cases, accompanied by scanning electron microphotographs, X-ray spectra, infrared spectra acquired in attenuated total reflectance Fourier transform infrared spectroscopy mode (ATR-FTIR) and diffuse reflectance spectra in the UV-Vis-region. For illustrating the usefulness of the database two case studies involving identification of pigments and a case study describing deterioration of an archaeological metallic object are presented. Copyright © 2016 Elsevier B.V. All rights reserved.

Facile and low temperature route to synthesis of CuS nanostructure in mesoporous material by solvothermal method.

PubMed

Sohrabnezhad, Sh; Zanjanchi, M A; Hosseingholizadeh, S; Rahnama, R

2014-04-05

The synthesis of CuS nanomaterial in MCM-41 matrix has been realized by chemical synthesis between MCM-41, copper sulfate pentahydrate and thiourea via a solvothermal method in ethylene glycol and water, separately. X-ray diffraction analysis (XRD), diffuse reflectance spectroscopy (DRS), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and fourier transform infrared (FT-IR) were used to characterize the products. At synthesized CuS/MCM-41 sample in ethylene glycol, X-ray diffraction and diffuse reflectance spectroscopy showed pure covellite phase of copper sulfide with high crystality. But prepared CuS/MCM-41 sample in water shows the covellite, chalcocite and the djurleite phase of copper sulfide nanostructures. The formation of CuS nanostructures was confirmed by FT-IR. Photocatalytic activity of CuS/MCM-41 nanocomposites was studied for degradation of Methylene Blue (MB) under visible light. The CuS/MCM-41 nanocomposite is more effective nanocatalyst than synthesized CuS/MCM-41 sample in water for degradation of methylene blue. Several parameters were examined, catalyst amount (0.1-1gL(-1)), pH (1-13) and initial concentration of MB (0.96-10ppm). The extent of degradation was estimated from the residual concentration by spectrophotometrically. The support size was obtained in the range 60-145nm by TEM. In the same way, the average size of copper sulfide in CuSMCM-41E and CuS/MCM-41W nanostructures were obtained about 10nm and 16nm, respectively. Copyright © 2013 Elsevier B.V. All rights reserved.

Evaluation of space environmental effects on metals and optical thin films on EOIM-3

NASA Technical Reports Server (NTRS)

Vaughn, Jason A.; Linton, Roger C.; Finckenor, Miria M.; Kamenetzky, Rachel R.

1995-01-01

Metals and optical thin films exposed to the space environment on the Third Flight of the Evaluation of Oxygen Interactions with Materials (EOIM-3) payload, onboard Space Shuttle mission STS-46 were evaluated. The materials effects described in this paper include the effects of space exposure on various pure metals, optical thin films, and optical thin film metals. The changes induced by exposure to the space environment in the material properties were evaluated using bidirectional reflectance distribution function (BRDF), specular reflectance (250 nm to 2500 nm), ESCA, VUV reflectance (120 nm to 200 nm), ellipsometry, FTIR and optical properties. Using these analysis techniques gold optically thin film metal mirrors with nickel undercoats were observed to darken due to nickel diffusion through the gold to the surface. Also, thin film nickel mirrors formed nickel oxide due to exposure to both the atmosphere and space.

FTIR Imaging Coupled with Multivariate Analysis for Study of Initial Diffusion of Different Solvents in Cellulose Acetate Butyrate Films

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

Lindblad, M.S.; Keyes, B.; Gedvilas, L.

Fourier transform infrared (FTIR) spectroscopic imaging was used to study the initial diffusion of different solvents in cellulose acetate butyrate (CAB) films containing different amounts of acetyl and butyryl substituents. Different solvents and solvent/non-solvent mixtures were also studied. The FTIR imaging system allowed acquisition of sequential images of the CAB films as solvent penetration proceeded without disturbing the system. The interface between the non-swollen polymer and the initial swelling front could be identified using multivariate data analysis tools. For a series of ketone solvents the initial diffusion coefficients and diffusion rates could be quantified and were found to be relatedmore » to the polar and hydrogen interaction parameters in the Hansen solubility parameters of the solvents. For the solvent/non-solvent system the initial diffusion rate decreased less than linearly with the weight-percent of non-solvent present in the solution, which probably was due to the swelling characteristic of the non-solvent. For a given solvent, increasing the butyryl content of the CAB increased the initial diffusion rate. Increasing the butyryl content from 17 wt.% butyryl to 37 wt.% butyryl produced a considerably larger increase in initial diffusion rate compared to an increase in butyryl content from 37 wt.% to 50 wt.% butyryl.« less

A study of water uptake by selected superdisintegrants from the sub-molecular to the particulate level.

PubMed

Barmpalexis, P; Syllignaki, P; Kachrimanis, K

2018-06-01

Water diffusion through the matrix of three superdisintegrants, namely sodium starch glycolate (SSG), croscarmellose sodium (cCMC-Na) and crospovidone (cPVP), was studied at the sub-molecular level using Attenuated Total Reflectance (ATR)-FTIR spectroscopy and molecular dynamics simulations, and the results were correlated to water uptake studies conducted at the particulate level using Parallel Exponential Kinetics (PEK) modeling in dynamic moisture sorption studies and optical microscopy. ATR-FTIR studies indicated that water diffuses inside cPVP by a single fast acting process, while in SSG and cCMC-Na, a slow and a fast process acting simultaneously, were identified. The same pattern regarding the rate of water uptake for all superdisintegrants was found also at the particulate level by PEK modeling. Moreover, molecular dynamics simulation helped elucidate the hydrogen bonding patterns formed between water-SSG and water-cCMC-Na, mainly via their carboxylic oxygen atoms and secondarily via their hydroxyl groups, while cPVP formed hydrogen bonds only through carbonyl oxygen. Finally, cPVP chains showed significant flexibility during hydration, while cCMC-Na and SSG chains retain their conformation to some extent, explaining the extensive swelling observed also at the particulate level by optical microscopy hydration studies.

Synthesis of Cu/CuO nanoparticles in mesoporous material by solid state reaction

NASA Astrophysics Data System (ADS)

Sohrabnezhad, Sh.; Valipour, A.

2013-10-01

The Mobil Composition of Matter No. 41 (MCM-41) containing 1.0 and 5.0 wt.% of Cu was synthesized under solid state reaction. The calcinations of samples were done at two different temperatures, 500 and 300 °C. X-ray diffraction (XRD), UV-Vis diffuse reflectance spectroscopy (UV-Vis DRS), Fourier transform infrared spectroscopy (FTIR) and transmission electron microscopy (TEM) were used for samples characterization. Powder X-ray diffraction showed that when Cu(CH3COO)2 content is about 1.0 wt.% in Cu/MCM-41, the guest CuO-NPs and copper ions is formed on the silica channel wall, and more exists in the crystalline state. When Cu(CH3COO)2 content exceeds this value (5.0 wt.%), CuO nanoparticles and Cu2+ ions can be observed in low crystalline state. From the diffuse reflectance spectra it was confirmed that 5 wt.% Cu/MCM-41 sample calcined at 500 °C show plasmon resonance band due to Cu nanoparticles in the range between 500 and 600 nm and small copper clusters Cun in 450 nm. It also shows that some of the Cu2+ ions are present octahedrally in extraframework position in all samples. Both fourier transform infrared and diffuse reflectance spectra indicate that some of Cu2+ ions are tetrahedrally within the framework position in 1 wt.% Cu/MCM-41 samples. TEM images indicated that nanoparticles size of CuO is in range of 30-40 nm.

Application of reflectance micro-Fourier Transform infrared analysis to the study of coal macerals: An example from the Late Jurassic to Early Cretaceous coals of the Mist Mountain Formation, British Columbia, Canada

USGS Publications Warehouse

Mastalerz, Maria; Bustin, R.M.

1996-01-01

The applicability of the reflectance micro-Fourier Transform infra-red spectroscopy (FTIR) technique for analyzing the distribution of functional groups in coal macerals is discussed. High quality of spectra, comparable to those obtained using other FTIR techniques (KBr pellet and transmission micro-FTIR), indicate this technique can be applied to characterizing functional groups under most conditions. The ease of sample preparation, the potential to analyze large intact samples, and ability to characterize organic matter in areas as small as 20 ??m are the main advantages of reflectance micro-FTIR. The quantitative aspects of reflectance micro-FTIR require further study. The examples from the coal seams of the Mist Mountain Formation, British Columbia show that at high volatile bituminous rank, reflectance micro-FTIR provides valuable information on the character of aliphatic chains of vitrinite and liptinite macerals. Because the character of aliphatic chains influences bond disassociation energies, such information is useful from a hydrocarbon generation viewpoint. In medium volatile bituminous coal liptinite macerals are usually not detectable but this technique can be used to study the degree of oxidation and reactivity of vitrinite and semifusinite.

[In situ diffuse reflectance FTIR spectroscopy study of CO adsorption on Ni2P/mesoporous molecule sieve catalysts].

PubMed

Liu, Qian-qian; Ji, Sheng-fu; Wu, Ping-yi; Hu, Lin-hua; Huang, Xiao-fan; Zhu, Ji-qin; Li, Cheng-yue

2009-05-01

Abstract The supported nickel phosphate precursors were prepared by incipient wetness impregnation using nickel nitrate as nickel source, diammonium hydrogen phosphate as phosphorus source, and MCM-41, MCM-48, SBA-15 and SBA-16 as supports, respectively. Then, the supported Ni2 P catalysts were prepared by temperature-programmed reduction in flowing Hz from their nickel phosphate precursors. The in situ diffuse reflectance FTIR spectroscopy (DRIFTS) analysis with the probe molecule CO was carried out to characterize the surface properties. The results indicated that there were significant differences in the spectral features of the samples. The upsilon(CO) absorbances observed for adsorbed CO on mesoporous molecule sieve was attributed to weak physical adsorption. There are four different kinds of upsilon(CO) absorbances observed for adsorbed CO on Ni2 P/MCM-41 catalyst with the following assignments: (1) the formation of Ni(CO)4 at 2055 cm(-1). (2) CO terminally bonded to cus Ni(delta+) (0

Eco-friendly and green synthesis of BiVO4 nanoparticle using microwave irradiation as photocatalayst for the degradation of Alizarin Red S

NASA Astrophysics Data System (ADS)

Abraham, S. Daniel; David, S. Theodore; Bennie, R. Biju; Joel, C.; Kumar, D. Sanjay

2016-06-01

Bismuth vanadate (BiVO4) nanocrystals have been successfully synthesised using microwave-assisted combustion synthesis (MCS), and characterised using Fourier transform infrared (FT-IR) and Raman spectra, surface area analysis (BET), X-ray diffraction (XRD), scanning electron microscopy (SEM), Energy Dispersive X-ray analysis (EDX), diffused reflectance spectroscopy (DRS) and Photoluminescence (PL) spectroscopy. The XRD results confirmed the formation of monoclinic bismuth vanadate. The formations of BiO & VO43-vibrations were ascertained from FT-IR data. The morphology of hallow internal structural micro entities were confirmed by SEM. The optical properties were determined by DRS and PL spectra. Hence, the influence of the preparation methods on the structure, morphology and optical activities of bismuth vanadate was investigated systematically. Photocatalytic degradation (PCD) of Alizarin Red S (ARS), an effective disrupting chemical in aqueous medium was investigated using BiVO4 nanoparticles. The kinetics of PCD was found to follow pseudo first-order.

Comparison of Portable and Bench-Top Spectrometers for Mid-Infrared Diffuse Reflectance Measurements of Soils.

PubMed

Hutengs, Christopher; Ludwig, Bernard; Jung, András; Eisele, Andreas; Vohland, Michael

2018-03-27

Mid-infrared (MIR) spectroscopy has received widespread interest as a method to complement traditional soil analysis. Recently available portable MIR spectrometers additionally offer potential for on-site applications, given sufficient spectral data quality. We therefore tested the performance of the Agilent 4300 Handheld FTIR (DRIFT spectra) in comparison to a Bruker Tensor 27 bench-top instrument in terms of (i) spectral quality and measurement noise quantified by wavelet analysis; (ii) accuracy of partial least squares (PLS) calibrations for soil organic carbon (SOC), total nitrogen (N), pH, clay and sand content with a repeated cross-validation analysis; and (iii) key spectral regions for these soil properties identified with a Monte Carlo spectral variable selection approach. Measurements and multivariate calibrations with the handheld device were as good as or slightly better than Bruker equipped with a DRIFT accessory, but not as accurate as with directional hemispherical reflectance (DHR) data collected with an integrating sphere. Variations in noise did not markedly affect the accuracy of multivariate PLS calibrations. Identified key spectral regions for PLS calibrations provided a good match between Agilent and Bruker DHR data, especially for SOC and N. Our findings suggest that portable FTIR instruments are a viable alternative for MIR measurements in the laboratory and offer great potential for on-site applications.

Optical and electrical studies of cerium mixed oxides

NASA Astrophysics Data System (ADS)

Sherly, T. R.; Raveendran, R.

2014-10-01

The fast development in nanotechnology makes enthusiastic interest in developing nanomaterials having tailor made properties. Cerium mixed oxide materials have received great attention due to their UV absorption property, high reactivity, stability at high temperature, good electrical property etc and these materials find wide applications in solid oxide fuel cells, solar control films, cosmetics, display units, gas sensors etc. In this study cerium mixed oxide compounds were prepared by co-precipitation method. All the samples were doped with Zn (II) and Fe (II). Preliminary characterizations such as XRD, SEM / EDS, TEM were done. UV - Vis, Diffuse reflectance, PL, FT-IR, Raman and ac conductivity studies of the samples were performed.

Natural polymer-stabilized multiple water-in-oil-in-water emulsions: a novel dermal drug delivery system for 5-fluorouracil.

PubMed

Hoppel, Magdalena; Mahrhauser, Denise; Stallinger, Christina; Wagner, Florian; Wirth, Michael; Valenta, Claudia

2014-05-01

The aim of this study was to create multiple water-in-oil-in-water (W/O/W) emulsions with an increased long-term stability as skin delivery systems for the hydrophilic model drug 5-fluorouracil. Multiple W/O/W emulsions were prepared in a one-step emulsification process, and were characterized regarding particle size, microstructure and viscosity. In-vitro studies on porcine skin with Franz-type diffusion cells, tape stripping experiments and attenuated total reflectance-fourier transform infrared spectroscopy (ATR-FTIR) were performed. The addition of Solagum AX, a natural polymer mixture of acacia and xanthan gum, led to multiple W/O/W emulsions with a remarkably increased long-term stability in comparison to formulations without a thickener. The higher skin diffusion of 5-fluorouracil from the multiple emulsions compared with an O/W-macroemulsion could be explained by ATR-FTIR. Shifts to higher wave numbers and increase of peak areas of the asymmetric and symmetric CH2 stretching vibrations confirmed a transition of parts of the skin lipids from an ordered to a disordered state after impregnation of porcine skin with the multiple emulsions. Solagum AX is highly suitable for stabilization of the created multiple emulsions. Moreover, these formulations showed superiority over a simple O/W-macroemulsion regarding skin permeation and penetration of 5-fluorouracil. © 2013 Royal Pharmaceutical Society.

Effect of annealing temperature on optical properties of binary zinc tin oxide nano-composite prepared by sol-gel route using simple precursors: structural and optical studies by DRS, FT-IR, XRD, FESEM investigations.

PubMed

Habibi, Mohammad Hossein; Mardani, Maryam

2015-02-25

Binary zinc tin oxide nano-composite was synthesized by a facile sol-gel method using simple precursors from the solutions consisting of zinc acetate, tin(IV) chloride and ethanol. Effect of annealing temperature on optical and structural properties was investigated using X-ray diffraction (XRD), diffuse reflectance spectra (DRS), field emission scanning electron microscopy (FESEM) and Fourier transform infrared spectroscopy (FTIR). XRD results revealed the existence of the ZnO and SnO2 phases. FESEM results showed that binary zinc tin oxide nano-composites ranges from 56 to 60 nm in diameter at 400°C and 500°C annealing temperatures respectively. The optical band gap was increased from 2.72 eV to 3.11 eV with the increasing of the annealing temperature. FTIR results confirmed the presence of zinc oxide and tin oxide and the broad absorption peaks at 3426 and 1602 cm(-1) can be ascribed to the vibration of absorptive water, and the absorption peaks at 546, 1038 and 1410 cm(-1) are due to the vibration of Zn-O or Sn-O groups in binary zinc tin oxide. Copyright © 2014 Elsevier B.V. All rights reserved.

Copper(II) complexes of methimazole, an anti Grave's disease drug. Synthesis, characterization and its potential biological behavior as alkaline phosphatase inhibitor.

PubMed

Urquiza, Nora M; Manca, Silvia G; Moyano, María A; Dellmans, Raquel Arrieta; Lezama, Luis; Rojo, Teófilo; Naso, Luciana G; Williams, Patricia A M; Ferrer, Evelina G

2010-04-01

Methimazole (MeimzH) is an anti-thyroid drug and the first choice for patients with Grave's disease. Two new copper(II) complexes of this drug: [Cu(MeimzH)(2)(NO(3))(2)]*0.5H(2)O and [Cu(MeimzH)(2)(H(2)O)(2)](NO(3))(2)*H(2)O were synthesized and characterized by elemental analysis, dissolution behavior, thermogravimetric analysis and UV-vis, diffuse reflectance, FTIR and EPR spectroscopies. As it is known that copper(II) cation can act as an inhibitor of alkaline phosphatase (ALP), the inhibitory effect of methimazole and its copper(II) complexes on ALP activity has also been investigated.

Growth, structural, spectroscopic and optical characterization of barium doped calcium tartrate

NASA Astrophysics Data System (ADS)

Verma, Seema; Raina, Bindu; Gupta, Vandana; Bamzai, K. K.

2018-05-01

Barium doped calcium tartrates synthesized by controlled diffusion using silica gel technique at ambient temperature was characterized by single crystal X-ray diffraction which establishes monoclinic crystal system with volume of the unit cell 923.97(10) Ǻ3 and the space group being P21. UV - Vis characterization gives various linear optical constants like absorption, transmittance, reflectance, band gap, extinction coefficient, urbach energy, complex dielectric constant, optical and electrical conductivity. These constants are considered to be essential in characterizing materials that are used in various applications like fabrication of optoelectronic devices. FTIR spectrum establishes the presence of various bands of functional groups expected from metal tartrate with water of crystallization.

Nanoscale Zinc Oxide Particles for Improving the Physiological and Sanitary Quality of a Mexican Landrace of Red Maize

PubMed Central

Estrada-Urbina, Juan; Cruz-Alonso, Alejandro; Santander-González, Martha; Vázquez-Durán, Alma

2018-01-01

In this research, quasi-spherical-shaped zinc oxide nanoparticles (ZnO NPs) were synthesized by a simple cost-competitive aqueous precipitation method. The engineered NPs were characterized using several validation methodologies: UV–Vis spectroscopy, diffuse reflection UV–Vis, spectrofluorometry, transmission electron microscopy (TEM), nanoparticle tracking analysis (NTA), and Fourier transform infrared (FTIR) spectroscopy with attenuated total reflection (ATR). A procedure was established to coat a landrace of red maize using gelatinized maize starch. Each maize seed was treated with 0.16 mg ZnO NPs (~7.7 × 109 particles). The standard germination (SG) and accelerated aging (AA) tests indicated that ZnO NP-treated maize seeds presented better physiological quality (higher percentage of normal seedlings) and sanitary quality (lower percentage of seeds contaminated by microorganisms) as compared to controls. The application of ZnO NPs also improved seedling vigor, correlated to shoot length, shoot diameter, root length, and number of secondary roots. Furthermore, shoots and roots of the ZnO NP-treated maize seeds showed a marked increment in the main active FTIR band areas, most notably for the vibrations associated with peptide-protein, lipid, lignin, polysaccharide, hemicellulose, cellulose, and carbohydrate. From these results, it is concluded that ZnO NPs have potential for applications in peasant agriculture to improve the quality of small-scale farmers’ seeds and, as a result, preserve germplasm resources. PMID:29673162

Tumor diagnostics using fiber optical IR spectroscopy

NASA Astrophysics Data System (ADS)

Winter, Harald; Bindig, Uwe; Waesche, Wolfgang; Liebold, K.; Roggan, Andre; Frege, P.; Gross, U. M.; Mueller, G.

1999-04-01

Aim of the project is the development of an in vivo endoscopic method to differentiate between cancerous from healthy tissue. The method is based on IR spectra in which each diseased state of the tissue has its own characteristic pattern as already shown in previous experiments. Two regions (1245 - 1195) cm-1 and (1045 - 995) cm-1 within the fingerprint (less than 1500 cm-1) region were selected for analysis. This paper will present the technical design of the laboratory set up and outcome of the development as well as the experiments. Two lead-salt diode lasers were used as excitation sources. The IR-radiation was transmitted via silverhalide fibers to the tissue to be investigated. On the detection side another IR fiber was used to transmit the signal to an MCT-detector (Mercury-Cadmium-Telluride). Measurement modes are Attenuated Total Reflectance (ATR) and diffuse Reflection/Remission. Spatial resolution was 100 X 100 micrometer2. The tissue used for these experiments was human colon carcinoma under humidity conditions. Samples were mapped using a stepper motor powered x/y/z-translation stage with a resolution of 1 micrometer. Results were compared with measurements carried out using a FTIR-interferometer and an FTIR-microscope in the region from 4000 - 900 cm-1. Soft- and Hardware control of the experiment is done using Labwindows/CVI (National Instruments, USA).

Resonant tunneling in frustrated total internal reflection.

PubMed

Longhi, Stefano

2005-10-15

Anomalous light transmission and resonant tunneling in frustrated total internal reflection (FTIR) are theoretically predicted to occur at periodically curved interfaces. For a low-contrast index and for grazing incidence, it is shown that FTIR resonant tunneling provides an optical realization of field-induced barrier transparency in quantum tunneling.

Effects on structural, optical, and magnetic properties of pure and Sr-substituted MgFe2O4 nanoparticles at different calcination temperatures

NASA Astrophysics Data System (ADS)

Loganathan, A.; Kumar, K.

2016-06-01

In the present work, pure and Sr2+ ions substituted Mg ferrite nanoparticles (NPs) had been prepared by co-precipitation method and their structural, optical, and magnetic properties at different calcination temperatures were studied. On this purpose, thermo gravimetric and differential thermal analysis (TG-DTA), Fourier transform infrared spectroscopy (FT-IR), X-ray diffraction (XRD), scanning electron microscopy, UV-Visible diffused reflectance spectroscopy, impedance spectroscopy, and vibrating sample magnetometer were carried out. The exo- and endothermic processes of synthesized precursors were investigated by TG-DTA measurements. The structural properties of the obtained products were examined by XRD analysis and show that the synthesized NPs are in the cubic spinel structure. The existence of two bands around 578-583 and 430-436 cm-1 in FT-IR spectrum also confirmed the formation of spinel-structured ferrite NPs. The lattice constants and particle size are estimated using XRD data and found to be strongly dependent on calcination temperatures. The optical, electrical, and magnetic properties of ferrite compositions also investigated and found to be strongly dependant on calcination temperatures.

New ZnO@Cardanol Porphyrin Composite Nanomaterials with Enhanced Photocatalytic Capability under Solar Light Irradiation

PubMed Central

Ribeiro, Viviane Gomes Pereira; Marcelo, Ana Maria Pereira; da Silva, Kássia Teixeira; da Silva, Fernando Luiz Firmino; Mota, João Paulo Ferreira; do Nascimento, João Paulo Costa; Sombra, Antonio Sérgio Bezerra; Clemente, Claudenilson da Silva; Mazzetto, Selma Elaine

2017-01-01

This work describes the synthesis, characterization, and photocatalytic activity of new composite nanomaterials based on ZnO nanostructures impregnated by lipophlilic porphyrins derived from cashew nut shell liquid (CNSL). The obtained nanomaterials were characterized by X-ray diffraction (XRD), UV-Vis diffuse reflectance spectroscopy (DRS), Fourier transform infrared spectroscopy (FT-IR), transmission electron microscopy (TEM), and steady-state photoluminescence spectra (PL). The results confirm nanostructures showing average diameter of 55 nm and an improved absorption in the visible region. Further, the FTIR analysis proved the existence of non-covalent interactions between the porphyrin molecules and ZnO. The photocatalytic activity of prepared photocatalysts was investigated by degradation of rhodamine B (RhB) in aqueous solution under visible light irradiation and natural sunlight. It was demonstrated that the photocatalytic activity increases in the presence of the porphyrins and, also, depends on the irradiation source. The development of composite photocatalysts based on porphyrins derived from CNSL provides an alternative approach to eliminate efficiently toxic wastes from water under ambient conditions. PMID:28934117

Analysis of bacteria on steel surfaces using reflectance micro-Fourier transform infrared spectroscopy.

PubMed

Ojeda, Jesús J; Romero-González, María E; Banwart, Steven A

2009-08-01

Reflectance micro-Fourier transform infrared (FT-IR) analysis has been applied to characterize biofilm formation of Aquabacterium commune, a common microorganism present on drinking water distribution systems, onto the increasingly popular pipe material stainless steel EN1.4307. The applicability of the reflectance micro-FT-IR technique for analyzing the bacterial functional groups is discussed, and the results are compared to spectra obtained using more conventional FT-IR techniques: transmission micro-FT-IR, attenuated transmitted reflectance (ATR), and KBr pellets. The differences between the infrared spectra of wet and dried bacteria, as well as free versus attached bacteria, are also discussed. The spectra obtained using reflectance micro-FT-IR spectroscopy were comparable to those obtained using other FT-IR techniques. The absence of sample preparation, the potential to analyze intact samples, and the ability to characterize opaque and thick samples without the need to transfer the bacterial samples to an infrared transparent medium or produce a pure culture were the main advantages of reflectance micro-FT-IR spectroscopy.

Evaluation of gallic acid loaded zein sub-micron electrospun fibre mats as novel active packaging materials.

PubMed

Neo, Yun Ping; Swift, Simon; Ray, Sudip; Gizdavic-Nikolaidis, Marija; Jin, Jianyong; Perera, Conrad O

2013-12-01

The applicability of gallic acid loaded zein (Ze-GA) electrospun fibre mats towards potential active food packaging material was evaluated. The surface chemistry of the electrospun fibre mats was determined using X-ray photon spectroscopy (XPS). The electrospun fibre mats showed low water activity and whitish colour. Thermogravimetric analysis (TGA) and Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) spectroscopy revealed the stability of the fibre mats over time. The Ze-GA fibre mats displayed similar rapid release profiles, with Ze-GA 20% exhibiting the fastest release rate in water as compared to the others. Gallic acid diffuses from the electrospun fibres in a Fickian diffusion manner and the data obtained exhibited a better fit to Higuchi model. L929 fibroblast cells were cultured on the electrospun fibres to demonstrate the absence of cytotoxicity. Overall, the Ze-GA fibre mats demonstrated antibacterial activity and properties consistent with those considered desirable for active packaging material in the food industry. Copyright © 2013 Elsevier Ltd. All rights reserved.

Antibacterial studies of novel Cu2WS4 ternary chalcogenide synthesized by hydrothermal process

NASA Astrophysics Data System (ADS)

Kannan, Selvaraj; Vinitha, Perumal; Mohanraj, Kannusamy; Sivakumar, Ganesan

2018-02-01

This is the first report for the synthesis of L-cysteine mediated Cu2WS4 nanoparticles for different temperatures by an inexpensive and less pollutive hydrothermal method. The as-synthesized particles were characterized by XRD, FTIR, FESEM, UV-vis diffuse reflectance and PL spectra technique respectively. The phase purity and structural confirmation were studied by X-ray powder diffraction technique. It is observed that the synthesis temperature affecting the crystalline size. The optical analysis of the Cu2WS4 nanoparticles showed direct band gap in the range of 2.1-2.3 eV. The intensity of the PL emission spectra decreases with increase of reaction temperature. The antibacterial performance of Cu2WS4 nanoparticles were investigated by agar well diffusion method and the results confirm that the antibacterial activity of Cu2WS4 against Gram-positive (B. subtilis, M. luteus) and Gram-negative (E. coli, P. aeruginosa and K. pneumoniae) bacteria.

A Fourier-Transform Infrared Study of Biochar Aging in Soils

PubMed Central

Singh, B.; Fang, Y.; Johnston, C.T.

2018-01-01

We used diffuse reflectance Fourier-transform infrared (DR-FTIR) spectroscopy, X-ray diffraction (XRD), and chemical and isotopic analyses to characterize the light fraction of four contrasting soils (control and biocharamended soils) to determine changes in biochar properties after aging. Two Eucalyptus saligna Sm. wood biochars, produced at 450°C (B450) and 550°C (B550), were incubated separately in each of the four soils for up to 12 mo at 20, 40, and 60°C. Total C and isotopic (δ13C) methods were used to quantify the amounts of biochar C and native C mineralized during incubation. The DR-FTIR spectra of the light fraction showed distinct absorption bands representing native soil organic C, biochar C, and mineral constituents present in the soils; the mineral bands were consistent with XRD data of the clay fraction of the four soils. Analysis of the DR-FTIR spectra in the ν(C–H) bands showed that the ratio of the aromatic ν(C–H) bands systematically increased relative to the aliphatic ν(C–H) bands with increasing mineralization of biochar C in the B550 amended soils, and this relationship was unique for each soil type. In contrast, this relationship was not observed for the B450 amended soils that contained a relatively smaller proportion of aromatic C. PMID:29657354

Spatial and molecular resolution of diffuse malignant mesothelioma heterogeneity by integrating label-free FTIR imaging, laser capture microdissection and proteomics

NASA Astrophysics Data System (ADS)

Großerueschkamp, Frederik; Bracht, Thilo; Diehl, Hanna C.; Kuepper, Claus; Ahrens, Maike; Kallenbach-Thieltges, Angela; Mosig, Axel; Eisenacher, Martin; Marcus, Katrin; Behrens, Thomas; Brüning, Thomas; Theegarten, Dirk; Sitek, Barbara; Gerwert, Klaus

2017-03-01

Diffuse malignant mesothelioma (DMM) is a heterogeneous malignant neoplasia manifesting with three subtypes: epithelioid, sarcomatoid and biphasic. DMM exhibit a high degree of spatial heterogeneity that complicates a thorough understanding of the underlying different molecular processes in each subtype. We present a novel approach to spatially resolve the heterogeneity of a tumour in a label-free manner by integrating FTIR imaging and laser capture microdissection (LCM). Subsequent proteome analysis of the dissected homogenous samples provides in addition molecular resolution. FTIR imaging resolves tumour subtypes within tissue thin-sections in an automated and label-free manner with accuracy of about 85% for DMM subtypes. Even in highly heterogeneous tissue structures, our label-free approach can identify small regions of interest, which can be dissected as homogeneous samples using LCM. Subsequent proteome analysis provides a location specific molecular characterization. Applied to DMM subtypes, we identify 142 differentially expressed proteins, including five protein biomarkers commonly used in DMM immunohistochemistry panels. Thus, FTIR imaging resolves not only morphological alteration within tissue but it resolves even alterations at the level of single proteins in tumour subtypes. Our fully automated workflow FTIR-guided LCM opens new avenues collecting homogeneous samples for precise and predictive biomarkers from omics studies.

Spatial and molecular resolution of diffuse malignant mesothelioma heterogeneity by integrating label-free FTIR imaging, laser capture microdissection and proteomics.

PubMed

Großerueschkamp, Frederik; Bracht, Thilo; Diehl, Hanna C; Kuepper, Claus; Ahrens, Maike; Kallenbach-Thieltges, Angela; Mosig, Axel; Eisenacher, Martin; Marcus, Katrin; Behrens, Thomas; Brüning, Thomas; Theegarten, Dirk; Sitek, Barbara; Gerwert, Klaus

2017-03-30

Diffuse malignant mesothelioma (DMM) is a heterogeneous malignant neoplasia manifesting with three subtypes: epithelioid, sarcomatoid and biphasic. DMM exhibit a high degree of spatial heterogeneity that complicates a thorough understanding of the underlying different molecular processes in each subtype. We present a novel approach to spatially resolve the heterogeneity of a tumour in a label-free manner by integrating FTIR imaging and laser capture microdissection (LCM). Subsequent proteome analysis of the dissected homogenous samples provides in addition molecular resolution. FTIR imaging resolves tumour subtypes within tissue thin-sections in an automated and label-free manner with accuracy of about 85% for DMM subtypes. Even in highly heterogeneous tissue structures, our label-free approach can identify small regions of interest, which can be dissected as homogeneous samples using LCM. Subsequent proteome analysis provides a location specific molecular characterization. Applied to DMM subtypes, we identify 142 differentially expressed proteins, including five protein biomarkers commonly used in DMM immunohistochemistry panels. Thus, FTIR imaging resolves not only morphological alteration within tissue but it resolves even alterations at the level of single proteins in tumour subtypes. Our fully automated workflow FTIR-guided LCM opens new avenues collecting homogeneous samples for precise and predictive biomarkers from omics studies.

Effect of sulfate ions on the crystallization and photocatalytic activity of TiO2/diatomite composite photocatalyst

NASA Astrophysics Data System (ADS)

Zhang, Jinjun; Wang, Xiaoyan; Wang, Jimei; Wang, Jing; Ji, Zhijiang

2016-01-01

TiO2 nanoparticles were immobilized on diatomite by hydrolysis-deposition method using titanium tetrachloride as precursor. The effect of sulfate ions on the crystallization and photocatalytic activity of TiO2/diatomite composite photocatalyst was characterized by TG-DSC, XRD, BET surface area, SEM, FT-IR spectroscopy, XPS and UV-vis diffuse reflectance spectra. The results indicate that addition of a small amount of sulfate ions promotes the formation of anatase phase and inhibits the transformation from anatase to rutile. On the other hand, sulfate ions immobilized on the surface of TiO2/diatomite have strong affinity for electrons, capturing the photo-generated electrons, which hinders the recombination of electrons and holes.

Characterization of southern yellow pine bark layers by Attenuated Total Reflectance (ATR) and Fourier Transform Infrared (FT-IR) Spectroscopy

Treesearch

Thomas L. Eberhardt

2009-01-01

The outer bark (rhytidome) of the southern yellow pines is a complex structure comprised of alternating layers of obliterated phloem and periderm tissues, with the latter comprised of three layers, those being phellem, phellogen, and phelloderm. An attenuated total reflectance (ATR) sampling accessory, coupled with a Fourier transform infrared (FTIR) spectrometer,...

Exploiting external reflection FTIR spectroscopy for the in-situ identification of pigments and binders in illuminated manuscripts. Brochantite and posnjakite as a case study

NASA Astrophysics Data System (ADS)

Zaffino, Chiara; Guglielmi, Vittoria; Faraone, Silvio; Vinaccia, Alessandro; Bruni, Silvia

2015-02-01

In the present work, the use of portable instrumentation allowing in-situ reflection FTIR analyses is exploited to identify the coloring matters of northern-Italian illuminations dating to the XVI century. In order to build a database of spectra, reference paint samples were prepared spreading the pigments on parchment with two different binders, i.e. gum arabic and egg white, used in antiquity. Pigments for the database were chosen considering their use in the Middle Ages and in the Renaissance and their response in the mid- and near-IR region. The reflection FTIR spectra obtained resulted to be dominated by the specular reflection component, allowing the use of the Kramers-Kronig transform to convert them to the more conventional absorbance FTIR spectra. Several pigments could thus be identified in ancient illuminations, even if some green details showed a spectral pattern different with respect to the most common commercial green pigments of the database. Therefore, in addition, basic copper sulfates brochantite and posnjakite were synthesized and characterized. In three green details, posnjakite was identified, both as a pure compound and together with malachite.

Exploiting external reflection FTIR spectroscopy for the in-situ identification of pigments and binders in illuminated manuscripts. Brochantite and posnjakite as a case study.

PubMed

Zaffino, Chiara; Guglielmi, Vittoria; Faraone, Silvio; Vinaccia, Alessandro; Bruni, Silvia

2015-02-05

In the present work, the use of portable instrumentation allowing in-situ reflection FTIR analyses is exploited to identify the coloring matters of northern-Italian illuminations dating to the XVI century. In order to build a database of spectra, reference paint samples were prepared spreading the pigments on parchment with two different binders, i.e. gum arabic and egg white, used in antiquity. Pigments for the database were chosen considering their use in the Middle Ages and in the Renaissance and their response in the mid- and near-IR region. The reflection FTIR spectra obtained resulted to be dominated by the specular reflection component, allowing the use of the Kramers-Kronig transform to convert them to the more conventional absorbance FTIR spectra. Several pigments could thus be identified in ancient illuminations, even if some green details showed a spectral pattern different with respect to the most common commercial green pigments of the database. Therefore, in addition, basic copper sulfates brochantite and posnjakite were synthesized and characterized. In three green details, posnjakite was identified, both as a pure compound and together with malachite. Copyright © 2014 Elsevier B.V. All rights reserved.

Model of bidirectional reflectance distribution function for metallic materials

NASA Astrophysics Data System (ADS)

Wang, Kai; Zhu, Jing-Ping; Liu, Hong; Hou, Xun

2016-09-01

Based on the three-component assumption that the reflection is divided into specular reflection, directional diffuse reflection, and ideal diffuse reflection, a bidirectional reflectance distribution function (BRDF) model of metallic materials is presented. Compared with the two-component assumption that the reflection is composed of specular reflection and diffuse reflection, the three-component assumption divides the diffuse reflection into directional diffuse and ideal diffuse reflection. This model effectively resolves the problem that constant diffuse reflection leads to considerable error for metallic materials. Simulation and measurement results validate that this three-component BRDF model can improve the modeling accuracy significantly and describe the reflection properties in the hemisphere space precisely for the metallic materials.

New Insights into CO2 Adsorption on Layered Double Hydroxide (LDH)-Based Nanomaterials

NASA Astrophysics Data System (ADS)

Tang, Nian; He, Tingyu; Liu, Jie; Li, Li; Shi, Han; Cen, Wanglai; Ye, Zhixiang

2018-02-01

The interlamellar spacing of layered double hydroxides (LDHs) was enlarged by dodecyl sulfonate ions firstly, and then, (3-aminopropyl)triethoxysilane (APS) was chemically grafted (APS/LDHs). The structural characteristics and thermal stability of these prepared samples were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), reflectance Fourier transform infrared spectrometer (FTIR), thermogravimetric analysis (TG), and elemental analysis (EA) respectively. The CO2 adsorption performance was investigated adopting TG and diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). The results presented that the CO2 adsorption capacity on APS/LDHs was as high as 90 mg/g and showed no obvious reduction during a five cyclic adsorption-desorption test, indicating its superior performance stability. The DRIFTS results showed that both carbamates and weakly bounded CO2 species were generated on APS/LDHs. The weakly adsorbed species was due to the different local chemical environment for CO2 capture provided by the surface moieties of LDHs like free silanol and hydrogen bonds.

ATR-FTIR Spectroscopy in the Undergraduate Chemistry Laboratory: Part I--Fundamentals and Examples

ERIC Educational Resources Information Center

Schuttlefield, Jennifer D.; Grassian, Vicki H.

2008-01-01

Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy is a useful technique for measuring the infrared spectra of solids and liquids as well as probing adsorption on particle surfaces. Several examples of the use of FTIR-ATR spectroscopy in different undergraduate chemistry laboratory courses are presented here. These…

Application of micro-attenuated total reflectance Fourier transform infrared spectroscopy to ink examination in signatures written with ballpoint pen on questioned documents.

PubMed

Nam, Yun Sik; Park, Jin Sook; Lee, Yeonhee; Lee, Kang-Bong

2014-05-01

Questioned documents examined in a forensic laboratory sometimes contain signatures written with ballpoint pen inks; these signatures were examined to assess the feasibility of micro-attenuated total reflectance (ATR) Fourier transform infrared (FTIR) spectroscopy as a forensic tool. Micro-ATR FTIR spectra for signatures written with 63 ballpoint pens available commercially in Korea were obtained and used to construct an FTIR spectral database. A library-searching program was utilized to identify the manufacturer, blend, and model of each black ballpoint pen ink based upon their FTIR peak intensities, positions, and patterns in the spectral database. This FTIR technique was also successfully used in determining the sequence of homogeneous line intersections from the crossing lines of two ballpoint pen signatures. We have demonstrated with a set of sample documents that micro-ATR FTIR is a viable nondestructive analytical method that can be used to identify the origin of the ballpoint pen ink used to mark signatures. © 2014 American Academy of Forensic Sciences.

Obtaining titanium dioxide nanoparticles with spherical shape and antimicrobial properties using M. citrifolia leaves extract by hydrothermal method.

PubMed

M, Sundrarajan; K, Bama; M, Bhavani; S, Jegatheeswaran; S, Ambika; A, Sangili; P, Nithya; R, Sumathi

2017-06-01

In this work, we synthesized titanium dioxide (TiO 2 ) nanoparticles using leaf extract of Morinda citrifolia (M. citrifolia) by the advanced hydrothermal method. The synthesized TiO 2 nanoparticles were characterized by X-ray diffraction (XRD), Fourier transmission infrared (FT-IR), Ultraviolet-visible diffuse reflectance (UV-Vis DRS), Ultraviolet-visible spectroscopy (UV-Vis), Raman spectroscopy, and scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM with EDX) techniques. The XRD major peak at 27.3° corresponds to the (110) lattice plane of tetragonal rutile TiO 2 phase and average crystalline size of nanoparticles is 10nm. The FT-IR result confirmed that TiO 2 nanoparticles and the presences of very few amount of anthraquinone and phenolic compounds of the leaf extract. The obtained nanoparticles were also characterized by UV-Vis DRS absorption spectroscopy and an intense band at 423nm clearly reveals the formation of nanoparticles. SEM images with EDX spectra clearly reveal the size of the nanoparticles, between 15 and 19nm in excellent quasi-spherical shape, by virtue of stabilization (capping) agent. The presence of elements-titanium and oxygen was verified with EDX spectrum. Furthermore, the inhibitory activity of green synthesized TiO 2 nanoparticles was tested against human pathogens like Staphylococcus aureus, Escherichia coli, Bacillus subtilis, Pseudomonas aeruginosa, Candida albicans, and Aspergillus niger by the agar well-diffusion method. The TiO 2 nanoparticles exhibited superior antimicrobial activity against Gram-positive bacteria, demonstrating their antimicrobial value against pathogenic diseases. Copyright © 2017 Elsevier B.V. All rights reserved.

Biosynthesis and characterization of ZnO nanoparticles using the aqueous leaf extract of Imperata cylindrica L.

NASA Astrophysics Data System (ADS)

Saputra, I. S.; Yulizar, Y.

2017-04-01

ZnO nanoparticles (ZnO NPs) were biosynthesized.The growth was observed by a sol-gel method. ZnO were successfully formed through the reaction of zinc nitrate tetrahydrate Zn(NO3)2.4H2O precursor with aqueous leaf extract of Imperata cylindrica L (ICL). The structural and optical properties of ZnO were investigated. The as-synthesized products were characterized by UV-Visible (UV-Vis), UV diffuse reflectance spectroscopy (UV-DRS), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDS). UV-Vis absorption data showed hydrolysis and characteristic of absorption peak at 300 nm of Zn(OH)2. UV-DRS confirmed that ZnO NPs has the indirect band gap at 3.13 eV. FTIR spectrum revealed the functional groups and indicated the presence of protein as the capping and stabilizing agent on the ZnO surface. Powder XRD studies indicated the formation of pure wurtzite hexagonal structure with particle size of 11.9 nm. The detailed morphological and structural characterizations revealed that the synthesized products were hexagonal nanochip.

Ultrasonic-assisted synthesis of ZrO2 nanoparticles and their application to improve the chemical stability of Nafion membrane in proton exchange membrane (PEM) fuel cells.

PubMed

Taghizadeh, Mohammad Taghi; Vatanparast, Morteza

2016-12-01

Zirconium dioxide (ZrO2) nanoparticles were fabricated successfully via ultrasonic-assisted method using ZrO(NO3)2·H2O, ethylenediamine and hydrazine as precursors in aqueous solution. Morphology, structure and composition of the obtained products were characterized by means of X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), dynamic light scattering (DLS), Fourier transform infrared spectroscopy (FT-IR) and diffuse reflectance spectroscopy (DRS). Then, the synthesized nanoparticles were used to prepare Nafion/ZrO2 nanocomposite membranes. The properties of the membranes were studied by ion exchange capacity (IEC) proton conductivity (σ), thermal stability and water uptake measurements. The ex-situ Fenton's test was used to investigate the chemical stability of the membranes. From our results, compared with Nafion membrane, the nanocomposite membrane exhibited lower fluoride release and weight loss. Therefore, it can concluded that Nafion/ZrO2 nanocomposite exhibit more chemical stability than the pure Nafion membrane. ATR-FTIR spectra and SEM surface images of membranes also confirm these results. Copyright © 2016 Elsevier Inc. All rights reserved.

Eco-friendly synthesis of cuprous oxide (Cu2O) nanoparticles and improvement of their solar photocatalytic activities

NASA Astrophysics Data System (ADS)

Kerour, A.; Boudjadar, S.; Bourzami, R.; Allouche, B.

2018-07-01

In this work, we have synthesized cuprous oxide (Cu2O) nanoparticles with octahedral and spherical like shapes by an ecofriendly, simple and coast effective method, by using the aqueous extract of Aloe vera and copper sulfate as solvent and precursor respectively. The effect of Aloe vera aqueous extract concentration on the morphological, structural and optical properties of as synthesized nanoparticles was studied by Scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier transform (FT-IR) spectroscopy and UV-visible diffuse reflectance. The SEM images showing octahedral and spherical agglomeration of nanoparticles. The cubic structure of Cu2O was confirmed by XRD analysis, the crystallites size depends to the concentration of Aloe vera aqueous extract with an average size ranged between 24 and 61 nm. The FT-IR vibration measurements valid the presence of pure Cu2O in the samples. The UV-visible spectra show that the prepared cuprous oxide (Cu2O) has a gap energy estimated from 2.5 to 2.62 eV. The photocatalytic activities of the as-prepared material were highly improvement by the fast degradation of methylene blue in aqueous solution at room temperature under solar simulator irradiation.

Detection and identification of explosive particles in fingerprints using attenuated total reflection-Fourier transform infrared spectromicroscopy.

PubMed

Mou, Yongyan; Rabalais, J Wayne

2009-07-01

The application of attenuated total reflection (ATR)-Fourier transform infrared (FTIR) spectromicroscopy for detection of explosive particles in fingerprints is described. The combined functions of ATR-FTIR spectromicroscopy are visual searching of particles in fingerprints and measuring the FTIR spectra of the particles. These functions make it possible to directly identify whether a suspect has handled explosives from the fingerprints alone. Particles in explosive contaminated fingerprints are either ingredients of the explosives, finger residues, or other foreign materials. These cannot normally be discriminated by their morphology alone. ATR-FTIR spectra can provide both particle morphology and composition. Fingerprints analyzed by ATR-FTIR can be used for further analysis and identification because of its non-destructive character. Fingerprints contaminated with three different types of explosives, or potential explosives, have been analyzed herein. An infrared spectral library was searched in order to identify the explosive residues. The acquired spectra are compared to those of finger residue alone, in order to differentiate such residue from explosive residue.

Attenuated total internal reflection infrared microspectroscopic imaging using a large-radius germanium internal reflection element and a linear array detector.

PubMed

Patterson, Brian M; Havrilla, George J

2006-11-01

The number of techniques and instruments available for Fourier transform infrared (FT-IR) microspectroscopic imaging has grown significantly over the past few years. Attenuated total internal reflectance (ATR) FT-IR microspectroscopy reduces sample preparation time and has simplified the analysis of many difficult samples. FT-IR imaging has become a powerful analytical tool using either a focal plane array or a linear array detector, especially when coupled with a chemometric analysis package. The field of view of the ATR-IR microspectroscopic imaging area can be greatly increased from 300 x 300 microm to 2500 x 2500 microm using a larger internal reflection element of 12.5 mm radius instead of the typical 1.5 mm radius. This gives an area increase of 70x before aberrant effects become too great. Parameters evaluated include the change in penetration depth as a function of beam displacement, measurements of the active area, magnification factor, and change in spatial resolution over the imaging area. Drawbacks such as large file size will also be discussed. This technique has been successfully applied to the FT-IR imaging of polydimethylsiloxane foam cross-sections, latent human fingerprints, and a model inorganic mixture, which demonstrates the usefulness of the method for pharmaceuticals.

The green synthesis of Ag/ZnO in montmorillonite with enhanced photocatalytic activity

NASA Astrophysics Data System (ADS)

Sohrabnezhad, Sh.; Seifi, A.

2016-11-01

The Ag/ZnO-MMT nanocomposite was prepared using urtica dioica leaf extract. To improve the photocatalytic properties of ZnO-MMT nanocomposite, silver metal nanoparticles was deposited over nanocomposite. Zn(CH3COO)2, AgNO3 and Urtica dioica leaf extract were used as a zinc, silver precursor and reducing agent, respectively. The nanocomposite was characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM), and ultraviolet-visible diffuse reflectance spectroscopy (DRS). The powder X-ray diffraction showed that Ag/ZnO nanoparticles located on the surface MMT layers. The diffuse reflectance spectra of nanocomposite indicated a strong surface plasmon resonance (SPR) absorption band in the visible region, resulting from metallic Ag nanoparticles. TEM image demonstrated the presence of silver nanoparticles with an average size of 2-4 nm over both MMT and flower-shape ZnO. The photocatalytic activity of nanocomposite was studied for destructive reaction methylene blue dye under visible light. In addition, the effects of different parameters such as amount of nanocomposite, concentration of the dye and pH of the solution were studied. The results showed that modiffication of ZnO-MMT nanocomposite with silver nanoparticles increased the percentage of discoloration methylene blue (MB) from 38.95 to 91.95. MMT matrix showed an important role in the reduction of recombination of electron-hole in nanocomposite.

Chemical characterization of diesel and hydrotreated vegetable oil (HVO) soot after reactive gas probing using diffuse reflectance FTIR spectroscopy (DRIFTS).

PubMed

Tapia, A; Salgado, M S; Martín, M P; Rodríguez-Fernández, J; Rossi, M J; Cabañas, B

2017-03-01

A chemical characterization of diesel and hydrotreated vegetable oil (HVO) soot has been developed using diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) before and after the reaction with different probe gases. Samples were generated under combustion conditions corresponding to an urban operation mode of a diesel engine and were reacted with probe gas-phase molecules in a Knudsen flow reactor. Specifically, NH 2 OH, O 3 and NO 2 were used as reactants (probes) and selected according to their reactivities towards specific functional groups on the sample surface. Samples of previously ground soot were diluted with KBr and were introduced in a DRIFTS accessory. A comparison between unreacted and reacted soot samples was made in order to establish chemical changes on the soot surface upon reaction. It was concluded that the interface of diesel and HVO soot before reaction mainly consists polycyclic aromatic hydrocarbons, nitro and carbonyl compounds, as well as ether functionalities. The main difference between both soot samples was observed in the band of the C=O groups that in diesel soot was observed at 1719 cm -1 but not in HVO soot. After reaction with probe gases, it was found that nitro compounds remain on the soot surface, that the degree of unsaturation decreases for reacted samples, and that new spectral bands such as hydroxyl groups are observed.

Rapid habitability assessment of Mars samples by pyrolysis-FTIR

NASA Astrophysics Data System (ADS)

Gordon, Peter R.; Sephton, Mark A.

2016-02-01

Pyrolysis Fourier transform infrared spectroscopy (pyrolysis FTIR) is a potential sample selection method for Mars Sample Return missions. FTIR spectroscopy can be performed on solid and liquid samples but also on gases following preliminary thermal extraction, pyrolysis or gasification steps. The detection of hydrocarbon and non-hydrocarbon gases can reveal information on sample mineralogy and past habitability of the environment in which the sample was created. The absorption of IR radiation at specific wavenumbers by organic functional groups can indicate the presence and type of any organic matter present. Here we assess the utility of pyrolysis-FTIR to release water, carbon dioxide, sulfur dioxide and organic matter from Mars relevant materials to enable a rapid habitability assessment of target rocks for sample return. For our assessment a range of minerals were analyzed by attenuated total reflectance FTIR. Subsequently, the mineral samples were subjected to single step pyrolysis and multi step pyrolysis and the products characterised by gas phase FTIR. Data from both single step and multi step pyrolysis-FTIR provide the ability to identify minerals that reflect habitable environments through their water and carbon dioxide responses. Multi step pyrolysis-FTIR can be used to gain more detailed information on the sources of the liberated water and carbon dioxide owing to the characteristic decomposition temperatures of different mineral phases. Habitation can be suggested when pyrolysis-FTIR indicates the presence of organic matter within the sample. Pyrolysis-FTIR, therefore, represents an effective method to assess whether Mars Sample Return target rocks represent habitable conditions and potential records of habitation and can play an important role in sample triage operations.

Adhesive evaluation of LARC-TPI and a water-soluble version of LARC-TPI

NASA Technical Reports Server (NTRS)

Progar, D. J.

1985-01-01

The results of a study to evaluate two Langley Research Center thermoplastic polimide (TPI) materials, identified as TPI/MTC for the material from Mitsui Toatsu Chemicals Inc. and TPI/H2O for the material from United Technologies Research Center, as high temperature thermoplastic adhesives and primers for bonding titanium (6AL-4V) adherends are discussed. A limited characterization of the materials was performed using a Diffuse Reflectance-Fourier Transform Infrared Spectroscopy (DR-FTIR) technique. Thermomechanical Analysis (TMA) and torsional braid techniques were used to determine glass transition temperature. The adhesive's strength, as determined by simple lap shear tests, as used to evaluate the effects of long term thermal exposure (up to 1000 hrs) at 204 deg C and a 72-hour water-boil.

[Spectrum studies on titania photocatalysts].

PubMed

Su, W; Fu, X; Wei, K; Zhang, H; Lin, H; Wang, X; Li, D

2001-02-01

The nano-sized TiO2 photocatalysts were prepared by sol-gel method and characterized by FTIR spectroscopy, FT-Raman spectroscopy and diffuse reflectance spectroscopy(DRS). Photocatalytic degradation of oleic acid over the TiO2 catalysts was investigated. The result showed that calcination temperature has strong effect on crystal structure, energy band structure, optical adsorption and photocatalytic activity of the TiO2 catalysts. It was found that the TiO2 photocatalyst calcined at 400 degrees C has the best apparent optical adsorption, the biggest band edge position and the highest photoactivity. The effect of calcination temperature on photocatalytic activity of TiO2 catalysts has been ascribed to the changes in structure and optical property of catalyst such as crystal size, content of rutile, residual NO3-, and band-edge position of light adsorption.

Effect of heating on the structural and optical properties of TiO2 nanoparticles: antibacterial activity

NASA Astrophysics Data System (ADS)

Haq, Sirajul; Rehman, Wajid; Waseem, Muhammad; Javed, Rehan; Mahfooz-ur-Rehman; Shahid, Muhammad

2018-02-01

TiO2 nanoparticles were synthesized at room temperature by chemical precipitation method and were then heated at 120, 300, 600 and 900 °C temperatures. The phase transition and crystallite size variation were determined by X-rays diffraction (XRD) analysis. The surface area, pore volume and pore size were measured using Brunauer-Emmet-Teller (BET) and Barrett-Joyner-Halenda (BJH) methods. The optical activity of heat treated and non-heat treated samples were carried out by diffuse reflectance (DR) spectroscopy. Four different methods were used to calculate band gap energy. The results obtained from thermogravimetric and differential thermal gravimetric (TG/TDG) analyses and Fourier transform infra-red (FTIR) spectroscopy agreed with each other. Agar well diffusion method has been applied to explore the antibacterial activity of nanoparticles against different bacterial strains such as Bacillus subtilis, Staphylococcus Aureus, Escherichia coli and Pseudomonas Aeruginosa. It was observed that TiO2 nanoparticles heated at 120 °C displayed maximum antibacterial activity while those heated at higher temperature showed no activity against the examined bacteria.

ATR-FTIR Spectroscopy in the Undergraduate Chemistry Laboratory: Part II--A Physical Chemistry Laboratory Experiment on Surface Adsorption

ERIC Educational Resources Information Center

Schuttlefield, Jennifer D.; Larsen, Sarah C.; Grassian, Vicki H.

2008-01-01

Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy is a useful technique for measuring the infrared spectra of solids and liquids as well as probing adsorption on particle surfaces. The use of FTIR-ATR spectroscopy in organic and inorganic chemistry laboratory courses as well as in undergraduate research was presented…

Non-destructive evaluation of polyolefin thermal aging using infrared spectroscopy

NASA Astrophysics Data System (ADS)

Fifield, Leonard S.; Shin, Yongsoon; Simmons, Kevin L.

2017-04-01

Fourier transform infrared (FTIR) spectroscopy is an information-rich method that reveals chemical bonding near the surface of polymer composites. FTIR can be used to verify composite composition, identify chemical contaminants and expose composite moisture content. Polymer matrix changes due to thermal exposure including loss of additives, chain scission, oxidation and changes in crystallinity may also be determined using FTIR spectra. Portable handheld instruments using non-contact reflectance or surface contact attenuated total reflectance (ATR) may be used for nondestructive evaluation (NDE) of thermal aging in polymer and composite materials of in-service components. We report the use of ATR FTIR to track oxidative thermal aging in ethylene-propylene rubber (EPR) and chlorinated polyethylene (CPE) materials used in medium voltage nuclear power plant electrical cable insulation and jacketing. Mechanical property changes of the EPR and CPE materials with thermal degradation for correlation with FTIR data are tracked using indenter modulus (IM) testing. IM is often used as a local NDE metric of cable jacket health. The FTIR-determined carbonyl index was found to increase with IM and may be a valuable NDE metric with advantages over IM for assessing cable remaining useful life.

Non-Destructive Evaluation of Polyolefin Thermal Aging Using Infrared Spectroscopy

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

Fifield, Leonard S.; Shin, Yongsoon; Simmons, Kevin L.

Fourier transform infrared (FTIR) spectroscopy is an information-rich method that reveals chemical bonding near the surface of polymer composites. FTIR can be used to verify composite composition, identify chemical contaminants and expose composite moisture content. Polymer matrix changes due to thermal exposure including loss of additives, chain scission, oxidation and changes in crystallinity may also be determined using FTIR spectra. Portable handheld instruments using non-contact reflectance or surface contact attenuated total reflectance (ATR) may be used for non-destructive evaluation (NDE) of thermal aging in polymer and composite materials of in-service components. We report the use of ATR FTIR to trackmore » oxidative thermal aging in ethylene-propylene rubber (EPR) and chlorinated polyethylene (CPE) materials used in medium voltage nuclear power plant electrical cable insulation and jacketing. Mechanical property changes of the EPR and CPE materials with thermal degradation for correlation with FTIR data are tracked using indenter modulus (IM) testing. IM is often used as a local NDE metric of cable jacket health. The FTIR-determined carbonyl index was found to increase with IM and may be a valuable NDE metric with advantages over IM for assessing cable remaining useful life.« less

The complimentary use of evacuable cells and remote sensing accessories for materials characterization by FT-IR spectroscopy

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

Powell, G.L.; Milosevic, M.

Diffuse reflectance (DR), emission (E), and external reflectance (ER) FT-IR spectroscopies are powerful techniques for materials characterization and surface analysis provided the spectrometer can address the appropriate location on a specimen under conditions for which the resulting measurement is meaningful. Evacuable cells and transfer optics have been developed for this purpose for coupon studies under laboratory conditions where a well defined location on a specimen can be monitored by DR, E, or ER while the environment, i. e., temperature and atmosphere, of the specimen is rigorously controlled. The Spectropus system of remote sampling accessories has been developed to make similarmore » measurements on large flat or convex objects in ambient air or in environmental chambers with sufficient ease that meaningful statistical comparisons of spectra obtained from many locations on a specimen or from many specimens can be made. These two general techniques are complimentary and allow for the results of controlled laboratory experiments to be readily extended to inspection operations. Evacuable cells designs for DR, for combined DR and E, and for 75{degrees}-ER with polarized light are described. Complimentary use of these cells with functionally similar remote sensing accessories is demonstrated with applications including the preparation of ceramic BeO surfaces for adhesive bonding (DR), the determination of the extent of cure and the oxidative degradation of epoxy adhesives and composites (DR and E), and the determination of the oxidation rate of uranium metal in air, oxygen, and water vapor (ER).« less

An FTIR investigation of isocyanate skin absorption using in vitro guinea pig skin.

PubMed

Bello, Dhimiter; Smith, Thomas J; Woskie, Susan R; Streicher, Robert P; Boeniger, Mark F; Redlich, Carrie A; Liu, Youcheng

2006-05-01

Isocyanates may cause contact dermatitis, sensitization and asthma. Dermal exposure to aliphatic and aromatic isocyanates can occur in various exposure settings. The fate of isocyanates on skin is an important unanswered question. Do they react and bind to the outer layer of skin or do they penetrate through the epidermis as unreacted compounds? Knowing the kinetics of these processes is important in developing dermal exposure sampling or decontamination strategies, as well as understanding potential health implications such exposure may have. In this paper the residence time of model isocyanates on hairless guinea pig skin was investigated in vitro using attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectrometry. Model isocyanates tested were octyl isocyanate, polymeric hexamethylene diisocyanate isocyanurate (pHDI), polymeric isophorone diisocyanate isocyanurate (pIPDI) and methylenediphenyl diisocyanate (MDI). Isocyanates in ethyl acetate (30 microL) were spiked directly on the skin to give 0.2-1.8 micromol NCO cm(-2) (NCO = -N=C=O), and absorbance of the isocyanate group and other chemical groups of the molecule were monitored over time. The ATR-FTIR findings showed that polymeric isocyanates pHDI and pIPDI may remain on the skin as unreacted species for many hours, with only 15-20% of the total isocyanate group disappearing in one hour, while smaller compounds octyl isocyanate and MDI rapidly disappear from the skin surface (80+% in 30 min). Isocyanates most likely leave the skin surface by diffusion predominantly, with minimal reaction with surface proteins. The significance of these findings and their implications for dermal exposure sampling and isocyanate skin decontamination are discussed.

Dielectric compound parabolic concentrating solar collector with a frustrated total internal reflection absorber.

PubMed

Hull, J R

1989-01-01

Coupling a dielectric compound parabolic concentrator (DCPC) to an absorber across a vacuum gap by means of frustrated total internal reflection (FTIR) can theoretically approach the maximum concentration permitted by physical laws, thus allowing higher radiative fluxes in thermal applications. The calculated optical performance of 2-D DCPCs with FTIR absorbers indicates that the ratio of gap thickness to optical wavelength must be <0.22 before the optical performance of the DCPC is superior to that of the nondielectric CPC.

Frustrated Total Internal Reflection: A Simple Application and Demonstration.

ERIC Educational Resources Information Center

Zanella, F. P.; Magalhaes, D. V.; Oliveira, M. M.; Bianchi, R. F.; Misoguti, L.; Mendonca, C. R.

2003-01-01

Describes the total internal reflection process that occurs when the internal angle of incidence is equal to or greater than the critical angle. Presents a demonstration of the effect of frustrated total internal reflection (FTIR). (YDS)

Synthesis of porous nanocrystalline NiO with hexagonal sheet-like morphology by homogeneous precipitation method

NASA Astrophysics Data System (ADS)

Sharma, Ravi Kant; Ghose, Ranjana

2015-04-01

Porous nanocrystalline NiO has been synthesized by a simple homogeneous precipitation method in short time at low calcination temperature without using any surfactant, chelating or gelating agents. The porous nanocrystalline NiO with a hexagonal sheet-like morphology were obtained by calcination of Ni(OH)2 nanoflakes at 500 °C. The calcination temperature strongly influences the morphology, crystallite size, specific surface area, pore volume and optical band gap of the samples. The samples were characterized using powder X-ray diffraction, thermal gravimetric analysis, FT-IR spectroscopy, UV-Visible diffuse reflectance spectroscopy, surface area measurements, field emission scanning electron microscopy coupled with energy dispersive X-ray analysis and transmission electron microscopy. The chemical activity of the samples was tested by catalytic reduction of 4-nitrophenol with NaBH4.

Synthesis, characterizations and anti-bacterial activities of pure and Ag doped CdO nanoparticles by chemical precipitation method

NASA Astrophysics Data System (ADS)

Sivakumar, S.; Venkatesan, A.; Soundhirarajan, P.; Khatiwada, Chandra Prasad

2015-02-01

In the present study, synthesized pure and Ag (1%, 2%, and 3%) doped Cadmium Oxide (CdO) nanoparticles by chemical precipitation method. Then, the synthesized products were characterized by thermo gravimetric-differential thermal analysis (TG-DTA), X-ray diffraction (XRD) analysis, Fourier transform infrared (FT-IR) spectroscopy, Ultra violet-Vis diffused reflectance spectroscopy (UV-Vis-DRS), Scanning electron microscopy (SEM), Energy dispersive X-rays (EDX) spectroscopy, and anti-bacterial activities, respectively. The transition temperatures and phase transitions of Cd(OH)2 to CdO at 400 °C was confirmed by TG-DTA analysis. The XRD patterns show the cubic shape and average particle sizes are 21, 40, 34, and 37 nm, respectively for pure and Ag doped samples. FT-IR study confirmed the presence of CdO and Ag at 677 and 459 cm-1, respectively. UV-Vis-DRS study shows the variation on direct and indirect band gaps. The surface morphologies and elemental analysis have been confirmed from SEM and with EDX. In addition, the synthesized products have been characterized by antibacterial activities against Gram-positive and negative bacteria. Further, the present investigation suggests that CdO nanoparticles have the great potential applications on various industrial and medical fields of research.

Effect of reaction atmosphere on structural and optical properties of hexagonal molybdenum oxide (h-MoO{sub 3})

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

Doss, V. Arumai; Chithambararaj, A.; Bose, A. Chandra, E-mail: acbose@nitt.edu

2016-05-23

The present work aims to synthesize single phase h-MoO{sub 3} nanocrytals by chemical precipitation method exposed under different reaction atmospheres. The reaction atmosphere have been successfully tuned as air, nitrogen and argon and studied its effects on structural, functional, morphology and optical properties by using X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infrared (FT-IR) spectroscopy and diffuse reflectance spectroscopy (DRS) measurements. The XRD result indicates that the sample exhibits characteristic hexagonal phase of MoO{sub 3}. The crystallite size is estimated by well known Scherrer’s method. The crystallite size is relative small in the case of sample prepared atmore » argon atmosphere. The functional groups such as Mo-O, N-H and O-H are identified from FT-IR spectroscopy. The particle exhibits rod like morphology with perfect hexagonal cross-section. The optical absorption observed at 420-450 nm corresponds to fundamental optical absorption by h-MoO{sub 3}. The band gap values are estimated using Kublka-Munk (K-M) function and found to be 2. 87 eV, 2.93 eV and 2.97 eV for samples synthesized under air, nitrogen and argon, respectively.« less

Improving FTIR imaging speciation of organic compound residues or their degradation products in wall painting samples, by introducing a new thin section preparation strategy based on cyclododecane pre-treatment.

PubMed

Papliaka, Zoi Eirini; Vaccari, Lisa; Zanini, Franco; Sotiropoulou, Sophia

2015-07-01

Fourier transform infrared (FTIR) imaging in transmission mode, employing a bidimensional focal plane array (FPA) detector, was applied for the detection and spatially resolved chemical characterisation of organic compounds or their degradation products within the stratigraphy of a critical group of fragments, originating from prehistoric and roman wall paintings, containing a very low concentration of subsisted organic matter or its alteration products. Past analyses using attenuated total reflection (ATR) or reflection FTIR on polished cross sections failed to provide any evidence of any organic material assignable as binding medium of the original painting. In order to improve the method's performance, in the present study, a new method of sample preparation in thin section was developed. The procedure is based on the use of cyclododecane C12H24 as embedding material and a subsequent double-side polishing of the specimen. Such procedure provides samples to be studied in FTIR transmission mode without losing the information on the spatial distribution of the detected materials in the paint stratigraphy. For comparison purposes, the same samples were also studied after opening their stratigraphy with a diamond anvil cell. Both preparation techniques offered high-quality chemical imaging of the decay products of an organic substance, giving clues to the painting technique. In addition, the thin sections resulting from the cyclododecane pre-treatment offered more layer-specific data, as the layer thickness and order remained unaffected, whereas the samples resulting from compression within the diamond cell were slightly deformed; however, since thinner and more homogenous, they provided higher spectral quality in terms of S/N ratio. In summary, the present study illustrates the appropriateness of FTIR imaging in transmission mode associated with a new thin section preparation strategy to detect and localise very low-concentrated organic matter subjected to deterioration processes, when the application of FTIR in reflection mode or FTIR-ATR fails to give any relevant information.

Diffusion of Carbon Dioxide in Cordierite-like Structures: a FTIR Imaging Approach

NASA Astrophysics Data System (ADS)

Radica, F.; Bellatreccia, F.; Della Ventura, G.; Freda, C.; Cinque, G.; Cestelli Guidi, M.

2013-12-01

In the last decades microporous and mesoporous minerals have been recognized to be very important materials from both a geological and a technological viewpoint. In this context, cordierite plays a key role since it represents the only case of a widespread microporous mineral able to trap significant amounts of molecular H2O and CO2 [1] under extreme geological conditions, spanning from the amphibolite facies to ultra-high temperature metamorphism to crustal anatexis [2]. The analysis of volatiles in cordierite can be a very useful tool to define the composition of coexisting fluids during its formation, thus a deeper knowledge of their diffusion mechanism through the structure is crucial in petrologic studies. However, it may have significant implications on technological issues such as the design of new strategies for the permanent sequestration of atmospheric CO2. The incorporation of CO2 into cordierite has been studied by several authors [1, 3], who pointed out the extreme difficulty to reach the sample saturation and homogenization, implying that in experimental studies knowledge of the actual distribution of the volatile molecules in the run samples is crucial to derive any scientific conclusion. In this work, we addressed this problem using FTIR imaging. Our experiments were carried out in tandem on natural cordierite and synthetic CO2-free beryl, a mineral which is isostructural with cordierite. All samples were treated in CO2-saturated atmosphere at different pressure, temperature and time conditions using a non end-load piston-cylinder apparatus at INGV. The run products were oriented using a spindle stage, cut and doubly polished, and analyzed using polarized micro-FTIR spectroscopy at INFN-LNF in order to study the distribution across the sample and quantify the CO2 content. Preliminary data show that both pressure and time play a major role on the diffusion of gaseous CO2 in both cordierite and beryl, whereas the effect of temperature is less noticeable. High-resolution FPA (focal-plane-array of detectors) SR (synchrotron radiation)-FTIR imaging was done at beamline B22, Diamond laboratory (Oxford, UK). The data show that the diffusion of CO2 occurs exclusively along the structural channels running along the c-axis direction. Notably, the diffusion path of CO2 does not exceed 200 μm even after 10 days treatment. Sample cracks formed during the experimental runs speed up the gas diffusion; measured CO2 contents along these cracks are up to 4 times higher. Several CO2-rich samples were heat-treated up to 1200 °C using a Linkam heating stage to investigate the rate of CO2 evacuation as a function of temperature. In situ FTIR spectra have shown that the decarbonation process starts around 800 °C. Continuous heating experiments on 60 μm thick slabs pointed out that the diffusion rates are very low; complete CO2 extraction could not be achieved even after 2 hour heating at 1000 °C. [1] Armbruster and Bloss (1982) Am. Mineral. 67, 284-291. [2] Vry et al. (1990) Am. Mineral. 75, 71-88 [3] Le Breton (1989) Contrib. Mineral. Petrol. 103, 387-396.

Accurate Transmittance Measurements of Thick, High-Index, High- Dispersion, IR Windows, Using a Fourier Transform IR Spectrometer

NASA Astrophysics Data System (ADS)

Kupferberg, Lenn C.

1996-03-01

Fourier transform IR [FT-IR] spectrometers have virtually replaced scanned grating IR spectrometers in the commercial market. While FTIR spectrometers have been a boon for the chemist, they present problems for the measurement of transmittance of thick, high-index, high-dispersion, IR windows. Reflection and refraction of light by the windows introduce measurement errors. The principles of the FT-IR spectrometer will be briefly reviewed. The origins of the measurement errors will be discussed. Simple modifications to the operation of commercially available instruments will be presented. These include using strategically placed apertures and the use of collimated vs. focused beams at the sample position. They are essential for removing the effects of reflected light entering the interferometer and limiting the divergence angle of light in the interferometer. The latter minimizes refractive effects and insures consistent underfilling of the detector. Data will be shown from FT-IR spectrometers made by four manufactures and compared to measurements from a dispersive spectrometer.

Reflection Matrix Method for Controlling Light After Reflection From a Diffuse Scattering Surface

DTIC Science & Technology

2016-12-22

reflective inverse diffusion, which was a proof-of-concept experiment that used phase modulation to shape the wavefront of a laser causing it to refocus...after reflection from a rough surface. By refocusing the light, reflective inverse diffusion has the potential to eliminate the complex radiometric model...photography. However, the initial reflective inverse diffusion experiments provided no mathematical background and were conducted under the premise that the

Diffusion, swelling, cross linkage study and mechanical properties of ZnO doped PVA/NaAlg blend polymer nanocomposite

NASA Astrophysics Data System (ADS)

Guruswamy, B.; Ravindrachary, V.; Shruthi, C.; Hegde, Shreedatta; Sagar, Rohan N.

2018-04-01

ZnO nano particles were synthesized using a chemical precipitation method. Pure and ZnO nano particle doped PVA-NaAlg blend composite films were prepared using solution casing method. Structural information of these composites was studied using FTIR. Diffusion kinetics of these polymer blend composite were studied using Flory-Huggins theory. Using these diffusion studies, cross-linking density and swelling properties of the films were analyzed. Mechanical properties of these composite are also studied.

Detection of starch adulteration in onion powder by FT-NIR and FT-IR spectroscopy

USDA-ARS?s Scientific Manuscript database

Adulteration of onion powder with cornstarch was identified by Fourier transform near-infrared (FT-NIR) and Fourier transform infrared (FT-IR) spectroscopy. The reflectance spectra of 180 pure and adulterated samples (1–35 wt% starch) were collected and preprocessed to generate calibration and predi...

FT-IR examination of the development of secondary cell wall in cotton fibers

USDA-ARS?s Scientific Manuscript database

The secondary cell wall development of cotton fibers harvested at 18, 20, 24, 28, 32, 36 and 40 days after flowering was examined using attenuated total reflection Fourier transform-infrared (ATR FT-IR) spectroscopy. Generally, a progressive intensity increase for bands assigned to cellulose Iß was ...

Diffuse reflectance relations based on diffusion dipole theory for large absorption and reduced scattering

NASA Astrophysics Data System (ADS)

Bremmer, Rolf H.; van Gemert, Martin J. C.; Faber, Dirk J.; van Leeuwen, Ton G.; Aalders, Maurice C. G.

2013-08-01

Diffuse reflectance spectra are used to determine the optical properties of biological samples. In medicine and forensic science, the turbid objects under study often possess large absorption and/or scattering properties. However, data analysis is frequently based on the diffusion approximation to the radiative transfer equation, implying that it is limited to tissues where the reduced scattering coefficient dominates over the absorption coefficient. Nevertheless, up to absorption coefficients of 20 m at reduced scattering coefficients of 1 and 11.5 mm-1, we observed excellent agreement (r2=0.994) between reflectance measurements of phantoms and the diffuse reflectance equation proposed by Zonios et al. [Appl. Opt. 38, 6628-6637 (1999)], derived as an approximation to one of the diffusion dipole equations of Farrell et al. [Med. Phys. 19, 879-888 (1992)]. However, two parameters were fitted to all phantom experiments, including strongly absorbing samples, implying that the reflectance equation differs from diffusion theory. Yet, the exact diffusion dipole approximation at high reduced scattering and absorption also showed agreement with the phantom measurements. The mathematical structure of the diffuse reflectance relation used, derived by Zonios et al. [Appl. Opt. 38, 6628-6637 (1999)], explains this observation. In conclusion, diffuse reflectance relations derived as an approximation to the diffusion dipole theory of Farrell et al. can analyze reflectance ratios accurately, even for much larger absorption than reduced scattering coefficients. This allows calibration of fiber-probe set-ups so that the object's diffuse reflectance can be related to its absorption even when large. These findings will greatly expand the application of diffuse reflection spectroscopy. In medicine, it may allow the use of blue/green wavelengths and measurements on whole blood, and in forensic science, it may allow inclusion of objects such as blood stains and cloth at crime scenes.

Note: Modification of an FTIR spectrometer for optoelectronic characterizations.

PubMed

Puspitosari, N; Longeaud, C

2017-08-01

We propose a very simple system to be adapted to a Fourier Transform Infra-Red (FTIR) spectrometer with which three different types of characterizations can be done: the Fourier transform photocurrent spectroscopy, the recording of reflection-transmission spectra of thin film semiconductors, and the acquisition of spectral responses of solar cells. In addition to gather three techniques into a single apparatus, this FTIR-based system also significantly reduces the recording time and largely improves the resolution of the measured spectra compared to standard equipments.

Note: Modification of an FTIR spectrometer for optoelectronic characterizations

NASA Astrophysics Data System (ADS)

Puspitosari, N.; Longeaud, C.

2017-08-01

We propose a very simple system to be adapted to a Fourier Transform Infra-Red (FTIR) spectrometer with which three different types of characterizations can be done: the Fourier transform photocurrent spectroscopy, the recording of reflection-transmission spectra of thin film semiconductors, and the acquisition of spectral responses of solar cells. In addition to gather three techniques into a single apparatus, this FTIR-based system also significantly reduces the recording time and largely improves the resolution of the measured spectra compared to standard equipments.

Novel preparation of highly photocatalytically active copper chromite nanostructured material via a simple hydrothermal route

PubMed Central

Beshkar, Farshad; Zinatloo-Ajabshir, Sahar; Bagheri, Samira; Salavati-Niasari, Masoud

2017-01-01

Highly photocatalytically active copper chromite nanostructured material were prepared via a novel simple hydrothermal reaction between [Cu(en)2(H2O)2]Cl2 and [Cr(en)3]Cl3.3H2O at low temperature, without adding any pH regulator or external capping agent. The as-synthesized nanostructured copper chromite was analyzed by transmission electron microscopy (TEM), UV–vis diffuse reflectance spectroscopy, energy dispersive X-ray microanalysis (EDX), scanning electron microscopy (SEM), X-ray diffraction (XRD) and Fourier transform infrared (FT-IR) spectroscopy. Results of the morphological investigation of the as-synthesized products illustrate that the shape and size of the copper chromite depended on the surfactant sort, reaction duration and temperature. Moreover, the photocatalytic behavior of as-obtained copper chromite was evaluated by photodegradation of acid blue 92 (anionic dye) as water pollutant. PMID:28582420

Photocatalytic Degradation of DIPA Using Bimetallic Cu-Ni/TiO2 Photocatalyst under Visible Light Irradiation

PubMed Central

Bustam, Mohamad Azmi; Chong, Fai Kait; Man, Zakaria B.; Khan, Muhammad Saqib; Shariff, Azmi M.

2014-01-01

Bimetallic Cu-Ni/TiO2 photocatalysts were synthesized using wet impregnation (WI) method with TiO2 (Degussa-P25) as support and calcined at different temperatures (180, 200, and 300°C) for the photodegradation of DIPA under visible light. The photocatalysts were characterized using TGA, FESEM, UV-Vis diffuse reflectance spectroscopy, fourier transform infrared spectroscopy (FTIR) and temperature programmed reduction (TPR). The results from the photodegradation experiments revealed that the Cu-Ni/TiO2 photocatalysts exhibited much higher photocatalytic activities compared to bare TiO2. It was found that photocatalyst calcined at 200°C had the highest photocatalyst activities with highest chemical oxygen demand (COD) removal (86.82%). According to the structural and surface analysis, the enhanced photocatalytic activity could be attributed to its strong absorption into the visible region and high metal dispersion. PMID:25105158

Microstructural, optical and electrical transport properties of Cd-doped SnO2 nanoparticles

NASA Astrophysics Data System (ADS)

Ahmad, Naseem; Khan, Shakeel; Mohsin Nizam Ansari, Mohd

2018-03-01

We have successfully investigated the structural, optical and dielectric properties of Cd assimilated SnO2 nanoparticles synthesized via very convenient precipitation route. The structural properties were studied by x-ray diffraction method (XRD) and Fourier Transform Infrared (FTIR) Spectroscopy. As-synthesized samples in the form of powder were examined for its morphology and average particle size by Transmission electron microscopy (TEM). The optical properties were studied by diffuse reflectance spectroscopy. Dielectric properties such that complex dielectric constant and ac conductivity were investigated by LCR meter. Average crystallite size calculated by XRD and average particle size obtained from TEM were found to be consistent and below 50 nm for all samples. The optical band gap of as-synthesized powder samples from absorption study was found in the range of 3.76 to 3.97 eV. The grain boundary parameters such that Rgb, Cgb and τ were evaluated using impedance spectroscopy.

Investigation of structural, optical and electrical properties of Co3O4 nanoparticles

NASA Astrophysics Data System (ADS)

Bhargava, Richa; Khan, Shakeel; Ahmad, Naseem; Ansari, Mohd Mohsin Nizam

2018-05-01

In the current work, we report the synthesis of Cobalt oxide (Co3O4) NPs (NPs) by co-precipitation method. The structural analysis was confirmed by using X-ray diffractometer (XRD) which shows that the Co3O4 NPs have cubic phase. The average crystallite size and the lattice parameter were calculated for Co3O4 NPs. The functional groups of the as-synthesized sample were examined by Fourier transform infrared spectroscopy (FTIR). The optical band gap of Co3O4 NPs was estimated by using UV diffuse reflectance spectroscopy and the Band gap was evaluated by using Tauc relation. The temperature dependence of dielectric constant and dielectric loss were studied over a range of temperature 50-300 °C. The DC electrical resistivity of Co3O4 NPs shows a semiconducting behaviour and the value of activation energy was calculated by using Arrhenius equation.

Recent advances in polymer supporting layered double hydroxides nanocomposite for electrochemical biosensors

NASA Astrophysics Data System (ADS)

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

2018-01-01

In recent years, layered double hydroxides (LDHs) materials having emerging due to their ability of intercalate a variety of anions, either organic or inorganic molecules. The most significance of the LDHs has been found potential applications in catalysis, wastewater treatment, and electrochemical sensors. The Mg-Al LDHs (MAL) and Poly-o-phenylenediamine @ Mg-Al LDHs (P-MAL) was prepared via simple one step hydrothermal method. As prepared material was characterized using many techniques such as, the structural and crystal phase was determined from XRD and Raman analyses. The functional groups were depicted using FT-IR spectroscopy. The optical propertied studied using diffuse reflectance spectroscopy UV-vis spectroscopy and the emission property were analyzed from Photoluminescence spectroscopy. The surface morphology and average particle size was analyzed using FESEM microscopy. The prepared polymer composite material P-MAL was further used for highly sensitive electrochemical detection towards dopamine (DA).

Synthesis and characterization of thermally stable zirconia based mesoporous nanosilica with metalloporphyrin encapsulation

NASA Astrophysics Data System (ADS)

Nadeem, Saad; Iqbal, Farukh; Mutalib, Mohamed Ibrahim Abdul; Abdullah, Bawadi; Shaharun, Maizatul Shima

2017-10-01

Metal composite materials-48 (MCM-48) with silica zirconia mesoporous matrix (having a Zr/Si ratio of 0.02) has been developed successfully using autogenous conditions and Copper tetra phenyl porphyrin (CuTPP) inclusion via flexible ligand approach. Thermo gravimetric analysis (TGA) was used to study the thermal stability which gives the stability up to 700°C, Fourier transform infrared spectroscopy (FTIR) for the functional group attachment also confirmed the MCM-48 structure and the Zirconia addition and X-Ray photon spectroscopy (XPS) for the binding energies and bonding also revealed the surface Zr4+ states. DRS-UV-Vis study for the photophysical behaviour, visible light activation and band gap reduction which reduced from 5.6 to 2.8 eV. All the characterizations have confirmed that nanoscale mesoporous silica with successful inclusion of zirconia in the matrix and the encapsulation of CuTPP was confirmed via diffuse reflectance (DR Uv-Vis) spectroscopy.

Manganese porphyrin immobilized on magnetic MCM-41 nanoparticles as an efficient and reusable catalyst for alkene oxidations with sodium periodate

NASA Astrophysics Data System (ADS)

Hajian, Robabeh; Ehsanikhah, Amin

2018-01-01

This study describes the immobilization of tetraphenylporphyrinatomanganese(III) chloride, (MnPor), onto imidazole functionalized MCM-41 with magnetite nanoparticle core (Fe3O4@MCM-41-Im). The resultant material (Fe3O4@MCM-41-Im@MnPor) was characterized by X-ray diffractometry (XRD), Fourier transform infra-red (FT-IR), diffuse reflectance UV-Vis spectrophotometry (DR UV-Vis), field emission scanning electron microscopy (FESEM), Inductively coupled plasma (ICP), analyzer transmission electron microscopy (TEM) and Brunauer-Emmett-Teller (BET) surface area. This new heterogenized catalyst was applied as an efficient catalyst for the epoxidation of a variety of cyclic and linear olefins with NaIO4 under mild conditions. The prepared catalyst can be easily recovered through the application of an external magnet, and reused several times without any significant decrease in activity and magnetic properties.

Desulfurization from Bauxite Water Slurry (BWS) Electrolysis

NASA Astrophysics Data System (ADS)

Gong, Xuzhong; Ge, Lan; Wang, Zhi; Zhuang, Siyuan; Wang, Yuhua; Ren, Lihui; Wang, Mingyong

2016-02-01

Feasibility of high-sulfur bauxite electrolysis desulfurization was examined using the electrochemical characterization, XRD, DTA, and FTIR. The cyclic voltammetry curves indicated that bauxite water slurry (BWS) electrolysis in NaOH system was controlled by diffusion. Additionally, the desulfurization effect of NaCl as the electrolyte was significantly better than that of NaOH as an electrolyte. As the stirring rate increased, the desulfurization ratio in NaCl system was not increased obviously, while the desulfurization ratio in NaOH system increased significantly, indicating further that electrolysis desulfurization in NaOH solution was controlled by diffusion. According to XRD, DTA, and FTIR analysis, the characteristic peaks of sulfur-containing phase in bauxite after electrolysis weakened or disappeared, indicating that the pyrite in bauxite was removed from electrolysis. Finally, the electrolytic desulfurization technology of bauxite was proposed based on the characteristics of BWS electrolysis.

Fe(Ⅲ) ions enhanced catalytic properties of (BiO)2CO3 nanowires and mechanism study for complete degradation of xanthate.

PubMed

Guo, Yujiao; Cui, Kuixin; Hu, Mingyi; Jin, Shengming

2017-08-01

The wire-like Fe 3+ -doped (BiO) 2 CO 3 photocatalyst was synthesized by a hydrothermal method. The photocatalytic property of Fe 3+ -doped (BiO) 2 CO 3 nanowires was evaluated through degradation of sodium isopropyl xanthate under UV-visible light irradiation. The as-prepared Fe 3+ -doped (BiO) 2 CO 3 nanowires were characterized by X-ray diffraction (XRD), scanning electron microscope (SEM), UV-visible diffuse reflectance spectroscopy (UV-vis DRS), X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FTIR) in detail. The results of XRD showed that the crystallinity of (BiO) 2 CO 3 nanowires decreased when Fe 3+ ions were introduced into the solution system. XPS results illustrated that xanthate could be absorbed on the surface of Fe 3+ -doped (BiO) 2 CO 3 nanowires to produce BiS bond at the beginning of the reaction, which could broaden the visible light absorption. FTIR spectra confirmed the formation of SO 4 2- after photocatalytic decomposition of xanthate solution. The Fe 3+ -doped (BiO) 2 CO 3 nanowires showed an enhanced photocatalytic activity for decomposition of xanthate due to the narrower band gap and larger BET surface area, comparing with pure (BiO) 2 CO 3 nanowires. By the results of UV-vis spectra of the solution and FTIR spectra of recycled Fe 3+ -doped (BiO) 2 CO 3 , the xanthate was oxidized completely into CO 2 and SO 4 2- . The photocatalytic degradation process of xanthate followed a pseudo-second-order kinetics model. The mechanism of enhanced photocatalytic activity was proposed as well. Copyright © 2017 Elsevier Ltd. All rights reserved.

Advances in photo-thermal infrared imaging microspectroscopy

NASA Astrophysics Data System (ADS)

Furstenberg, Robert; Kendziora, Chris; Papantonakis, Michael; Nguyen, Viet; McGill, Andrew

2013-05-01

There is a growing need for chemical imaging techniques in many fields of science and technology: forensics, materials science, pharmaceutical and chemical industries, just to name a few. While FTIR micro-spectroscopy is commonly used, its practical resolution limit of about 20 microns or more is often insufficient. Raman micro-spectroscopy provides better spatial resolution (~1 micron), but is not always practical because of samples exhibiting fluorescence or low Raman scattering efficiency. We are developing a non-contact and non-destructive technique we call photo-thermal infrared imaging spectroscopy (PT-IRIS). It involves photo-thermal heating of the sample with a tunable quantum cascade laser and measuring the resulting increase in thermal emission with an infrared detector. Photo-thermal emission spectra resemble FTIR absorbance spectra and can be acquired in both stand-off and microscopy configurations. Furthermore, PT-IRIS allows the acquisition of absorbance-like photo-thermal spectra in a reflected geometry, suitable for field applications and for in-situ study of samples on optically IR-opaque substrates (metals, fabrics, paint, glass etc.). Conventional FTIR microscopes in reflection mode measure the reflectance spectra which are different from absorbance spectra and are usually not catalogued in FTIR spectral libraries. In this paper, we continue developing this new technique. We perform a series of numerical simulations of the laser heating of samples during photo-thermal microscopy. We develop parameterized formulas to help the user pick the appropriate laser illumination power. We also examine the influence of sample geometry on spectral signatures. Finally, we measure and compare photo-thermal and reflectance spectra for two test samples.

Measurement and Modeling of the Optical Scattering Properties of Crop Canopies

NASA Technical Reports Server (NTRS)

Vanderbilt, V. C. (Principal Investigator)

1985-01-01

The specular reflection process is shown to be a key aspect of radiation transfer by plant canopies. Polarization measurements are demonstrated as the tool for determining the specular and diffuse portions of the canopy radiance. The magnitude of the specular fraction of the reflectance is significant compared to the magnitude of the diffuse fraction. Therefore, it is necessary to consider specularly reflected light in developing and evaluating light-canopy interaction models for wheat canopies. Models which assume leaves are diffuse reflectors correctly predict only the diffuse fraction of the canopy reflectance factor. The specular reflectance model, when coupled with a diffuse leaf model, would predict both the specular and diffuse portions of the reflectance factor. The specular model predicts and the data analysis confirms that the single variable, angle of incidence of specularly reflected sunlight on the leaf, explains much of variation in the polarization data as a function of view-illumination directions.

An improved method to estimate reflectance parameters for high dynamic range imaging

NASA Astrophysics Data System (ADS)

Li, Shiying; Deguchi, Koichiro; Li, Renfa; Manabe, Yoshitsugu; Chihara, Kunihiro

2008-01-01

Two methods are described to accurately estimate diffuse and specular reflectance parameters for colors, gloss intensity and surface roughness, over the dynamic range of the camera used to capture input images. Neither method needs to segment color areas on an image, or to reconstruct a high dynamic range (HDR) image. The second method improves on the first, bypassing the requirement for specific separation of diffuse and specular reflection components. For the latter method, diffuse and specular reflectance parameters are estimated separately, using the least squares method. Reflection values are initially assumed to be diffuse-only reflection components, and are subjected to the least squares method to estimate diffuse reflectance parameters. Specular reflection components, obtained by subtracting the computed diffuse reflection components from reflection values, are then subjected to a logarithmically transformed equation of the Torrance-Sparrow reflection model, and specular reflectance parameters for gloss intensity and surface roughness are finally estimated using the least squares method. Experiments were carried out using both methods, with simulation data at different saturation levels, generated according to the Lambert and Torrance-Sparrow reflection models, and the second method, with spectral images captured by an imaging spectrograph and a moving light source. Our results show that the second method can estimate the diffuse and specular reflectance parameters for colors, gloss intensity and surface roughness more accurately and faster than the first one, so that colors and gloss can be reproduced more efficiently for HDR imaging.

FTIR-PAS: a powerful tool for characterising the chemical composition and predicting the labile C fraction of various organic waste products.

PubMed

Bekiaris, Georgios; Bruun, Sander; Peltre, Clément; Houot, Sabine; Jensen, Lars S

2015-05-01

Fourier transform infrared (FT-IR) spectroscopy has been used for several years as a fast, low-cost, reliable technique for characterising a large variety of materials. However, the strong influence of sample particle size and the inability to measure the absorption of very dark and opaque samples have made FTIR unsuitable for many waste materials. FTIR-photoacoustic spectroscopy (FTIR-PAS) can eliminate some of the shortcomings of traditional FTIR caused by scattering effects and reflection issues, and recent advances in PAS technology have made commercial instruments available. In this study, FTIR-PAS was used to characterise a wide range of organic waste products and predict their labile carbon fraction, which is normally determined from time-consuming assays. FTIR-PAS was found to be capable of predicting the labile fraction of carbon as efficiently as near infrared spectroscopy (NIR) and furthermore of identifying the compounds that are correlated with the predicted parameter, thus facilitating a more mechanistic interpretation. Copyright © 2015 Elsevier Ltd. All rights reserved.

Optical Interactions at Randomly Rough Surfaces

DTIC Science & Technology

2003-03-10

frequency range. The design of a random surface that acts as a Lambertian diffuser, especially in the infrared region of the optical spectrum, is...FTIR grazing angle microscopy. Recently, an experimental study was performed of the far-field scattering at small grazing angles, especially the enhanced...a specular component in the scattered light, in this frequency range. The design of a random surface that acts as a Lambertian diffuser, especially in

Angular distribution of diffuse reflectance from incoherent multiple scattering in turbid media.

PubMed

Gao, M; Huang, X; Yang, P; Kattawar, G W

2013-08-20

The angular distribution of diffuse reflection is elucidated with greater understanding by studying a homogeneous turbid medium. We modeled the medium as an infinite slab and studied the reflection dependence on the following three parameters: the incident direction, optical depth, and asymmetry factor. The diffuse reflection is produced by incoherent multiple scattering and is solved through radiative transfer theory. At large optical depths, the angular distribution of the diffuse reflection with small incident angles is similar to that of a Lambertian surface, but, with incident angles larger than 60°, the angular distributions have a prominent reflection peak around the specular reflection angle. These reflection peaks are found originating from the scattering within one transport mean free path in the top layer of the medium. The maximum reflection angles for different incident angles are analyzed and can characterize the structure of angular distributions for different asymmetry factors and optical depths. The properties of the angular distribution can be applied to more complex systems for a better understanding of diffuse reflection.

Differentiation between probiotic and wild-type Bacillus cereus isolates by antibiotic susceptibility test and Fourier transform infrared spectroscopy (FT-IR).

PubMed

Mietke, Henriette; Beer, W; Schleif, Julia; Schabert, G; Reissbrodt, R

2010-05-30

Animal feed often contains probiotic Bacillus strains used as feed additives. Spores of the non-pathogenic B. cereus var. toyoi (product name Toyocerin) are used. Distinguishing between toxic wild-type Bacillus cereus strains and this probiotic strain is essential for evaluating the quality and risk of feed. Bacillus cereus CIP 5832 (product name Paciflor was used as probiotic strain until 2001. The properties of the two probiotic strains are quite similar. Differentiating between probiotic strains and wild-type B. cereus strains is not easy. ss-lactam antibiotics such as penicillin and cefamandole exhibit an inhibition zone in the agar diffusion test of probiotic B. cereus strains which are not seen for wild-type strains. Therefore, performing the agar diffusion test first may make sense before FT-IR testing. When randomly checking these strains by Fourier transform infrared spectroscopy (FT-IR), the probiotic B. cereus strains were separated from wild-type B. cereus/B. thuringiensis/B. mycoides/B. weihenstephanensis strains by means of hierarchical cluster analysis. The discriminatory information was contained in the spectral windows 3000-2800 cm(-1) ("fatty acid region"), 1200-900 cm(-1) ("carbohydrate region") and 900-700 cm(-1) ("fingerprint region"). It is concluded that FT-IR spectroscopy can be used for the rapid quality control and risk analysis of animal feed containing probiotic B. cereus strains. (c) 2010 Elsevier B.V. All rights reserved.

Attenuated Total Reflection Fourier Transform Infrared Spectroscopy (ATR FT-IR) Mapping Coupled with Multivariate Curve Resolution (MCR) for Studying the Miscibility of Chlorobutyl Rubber/Polyamide-12 Blends.

PubMed

Tang, Yongjiao; Jing, Nan; Zhang, Pudun

2015-11-01

A series of chlorobutyl rubber/polyamide-12 (CIIR/PA-12) blends compatibilized by different amounts of maleic anhydride (MAH) grafted polypropylene (PP-g-MAH) were investigated by attenuated total reflection Fourier transform infrared spectroscopy (ATR FT-IR) mapping. Multivariate curve resolution (MCR) was used to process the FT-IR images. Both the spectra of pure components in the blends and their concentration distributions in a micro-region were acquired. Our results demonstrated that the blend with 15 parts per hundred rubber PP-g-MAH showed the best miscibility. An amide interphase and an imide interphase were inferred by analyzing the spectra of MCR component 3 of the blends with and without PP-g-MAH, respectively. Correspondingly, two different compatibilizing mechanisms were proposed for these blends.

Chemometric analysis of attenuated total reflectance infrared spectra of Proteus mirabilis strains with defined structures of LPS.

PubMed

Zarnowiec, Paulina; Mizera, Andrzej; Chrapek, Magdalena; Urbaniak, Mariusz; Kaca, Wieslaw

2016-07-01

Proteus spp. strains are some of the most important pathogens associated with complicated urinary tract infections and bacteremia affecting patients with immunodeficiency and long-term urinary catheterization. For epidemiological purposes, various molecular typing methods have been developed for this pathogen. However, these methods are labor intensive and time consuming. We evaluated a new method of differentiation between strains. A collection of Proteus spp. strains was analyzed by attenuated total reflectance Fourier transform infrared (ATR FT-IR) spectroscopy in the mid-infrared region. ATR FT-IR spectroscopy used in conjunction with a diamond ATR accessory directly produced the biochemical profile of the surface chemistry of bacteria. We conclude that a combination of ATR FT-IR spectroscopy and mathematical modeling provides a fast and reliable alternative for discrimination between Proteus isolates, contributing to epidemiological research. © The Author(s) 2016.

Application of attenuated total reflectance Fourier transform infrared spectroscopy for determination of cefixime in oral pharmaceutical formulations.

PubMed

Kandhro, Aftab A; Laghari, Abdul Hafeez; Mahesar, Sarfaraz A; Saleem, Rubina; Nelofar, Aisha; Khan, Salman Tariq; Sherazi, S T H

2013-11-01

A quick and reliable analytical method for the quantitative assessment of cefixime in orally administered pharmaceutical formulations is developed by using diamond cell attenuated total reflectance (ATR) Fourier transform infrared (FT-IR) spectroscopy as an easy procedure for quality control laboratories. The standards for calibration were prepared in aqueous medium ranging from 350 to 6000mg/kg. The calibration model was developed based on partial least square (PLS) using finger print region of FT-IR spectrum in the range from 1485 to 887cm(-1). Excellent coefficient of determination (R(2)) was achieved as high as 0.99976 with root mean square error of 44.8 for calibration. The application of diamond cell (smart accessory) ATR FT-IR proves a reliable determination of cefixime in pharmaceutical formulations to assess the quality of the final product. Copyright © 2013 Elsevier B.V. All rights reserved.

Microanalytical investigation of degradation issues in Byzantine wall paintings

NASA Astrophysics Data System (ADS)

Sotiropoulou, S.; Daniilia, Sister; Miliani, C.; Rosi, F.; Cartechini, L.; Papanikola-Bakirtzis, D.

2008-07-01

The St. Euthymius wall paintings, in the Cathedral of Thessaloniki, dated 1303 AD., are stylistically attributed to the School of Panselinos, one of the most important painters of Palaeologean Art. An in situ non-invasive study has been carried out as part of a MOLAB project (a mobile laboratory accessible through the Eu-ARTECH project, funded by the EC 6th FP) combining different analytical techniques such as XRF, mid-FTIR and UV-vis diffuse reflectance spectroscopy. It was during this comprehensive in situ study that certain scientific queries were raised about sensitive areas, where indications of the phenomena of decay requested further attention. A subsequent laboratory study of selected cross-sections using microscopic analysis with μFTIR, SEM-EDS and μRaman, further confirmed the identification of only the atypical in situ observations. The comparative interpretation of all respective results on the specific regions of interest permitted the identification of several degradation phenomena which justify certain aesthetic or stylistic incoherences in the representations. Namely, (i) thermal dehydration of the yellow ochre explaining the reddish appearance of the flesh tones and halos as an accidental effect of the fire; (ii) thermal degradation of azurite converted to tenorite explaining the atypical instance of dark lightings on the purple garments; (iii) degradation of red lead employed in the lightings of the red garments; (iv) widespread presence of oxalates in the paint surface.

Perivascular Accumulation of β-Sheet-Rich Proteins in Offspring Brain following Maternal Exposure to Carbon Black Nanoparticles.

PubMed

Onoda, Atsuto; Kawasaki, Takayasu; Tsukiyama, Koichi; Takeda, Ken; Umezawa, Masakazu

2017-01-01

Environmental stimulation during brain development is an important risk factor for the development of neurodegenerative disease. Clinical evidence indicates that prenatal exposure to particulate air pollutants leads to diffuse damage to the neurovascular unit in the developing brain and accelerates neurodegeneration. Maternal exposure to carbon black nanoparticles (CB-NPs), used as a model for particulate air pollution, induces long-lasting diffuse perivascular abnormalities. We aimed to comprehensively characterize the perivascular abnormalities related to maternal NPs exposure using Fourier transform infrared microspectroscopy ( in situ FT-IR) and classical staining analysis. Pregnant ICR mice were intranasally treated with a CB-NPs suspension (95 μg/kg at a time) on gestational days 5 and 9. Brains were collected 6 weeks after birth and sliced to prepare 10-μm-thick serial sections. Reflective spectra of in situ FT-IR were acquired using lattice measurements ( x -axis: 7, y -axis: 7, 30-μm apertures) around a centered blood vessel. We also performed mapping analysis of protein secondary structures. Serial sections were stained with using periodic acid-Schiff or immunofluorescence to examine the phenotypes of the perivascular areas. Peaks of amide I bands in spectra from perivascular areas were shifted by maternal NPs exposure. However, there were two types of peak-shift in one mouse in the exposure group. Some vessels had a large peak-shift and others had a small peak-shift. In situ FT-IR combined with traditional staining revealed that the large peak-shift was induced around blood vessel adjacent to astrocytes with glial fibrillary acidic protein and aquaporin-4 over-expression and perivascular macrophages (PVMs) with enlarged lysosome granules. Furthermore, protein secondary structural analysis indicated that maternal NPs exposure led to increases in β-sheet content and decreases in α-helix content in areas that are mostly close to the centered blood vessel displaying histopathological changes. These results suggest that β-sheet-rich waste proteins, which are denatured by maternal NPs exposure, likely accumulate in the perivascular space as they are processed by the clearance systems in the brain. This may in turn lead the denaturation of PVMs and astrocyte activation. The risk of neurodegeneration may be enhanced by exposure to particulate air pollutants during brain development following the perivascular accumulation of β-sheet-rich waste proteins.

Investigations on surface chemical analysis using X-ray photoelectron spectroscopy and optical properties of Dy3+-doped LiNa3P2O7 phosphor

NASA Astrophysics Data System (ADS)

Munirathnam, K.; Dillip, G. R.; Chaurasia, Shivanand; Joo, S. W.; Deva Prasad Raju, B.; John Sushma, N.

2016-08-01

Near white-light emitting LiNa3P2O7:Dy3+ phosphors were prepared by a conventional solid-state reaction method. The orthorhombic crystal structure of the phosphors was confirmed using X-ray diffraction (XRD), and the valence states of the surface elements were determined from the binding energies of Li 1s, O 1s, Na 1s, P 2p, and Dy 3d by X-ray photoelectron spectroscopy (XPS). Attenuated total reflectance (ATR) - Fourier transform infrared (FT-IR) spectroscopy was employed to identify the pyrophosphate groups in the phosphors. Diffuse reflectance spectra (DRS) show the absorption bands of the Dy3+ ions in the host material. Intense blue (481 nm) and yellow (575 nm) emissions were obtained at an excitation wavelength of 351 nm and are attributed to the 4F9/2 → 6H15/2 and 4F9/2 → 6H13/2 transitions of Dy3+ ions, respectively. The combination of these two intense bands generates light emission in the near-white region of the chromaticity diagram.

Application of reflectance spectroscopies (FTIR-ATR & FT-NIR) coupled with multivariate methods for robust in vivo detection of begomovirus infection in papaya leaves

NASA Astrophysics Data System (ADS)

Haq, Quazi M. I.; Mabood, Fazal; Naureen, Zakira; Al-Harrasi, Ahmed; Gilani, Sayed A.; Hussain, Javid; Jabeen, Farah; Khan, Ajmal; Al-Sabari, Ruqaya S. M.; Al-khanbashi, Fatema H. S.; Al-Fahdi, Amira A. M.; Al-Zaabi, Ahoud K. A.; Al-Shuraiqi, Fatma A. M.; Al-Bahaisi, Iman M.

2018-06-01

Nucleic acid & serology based methods have revolutionized plant disease detection, however, they are not very reliable at asymptomatic stage, especially in case of pathogen with systemic infection, in addition, they need at least 1-2 days for sample harvesting, processing, and analysis. In this study, two reflectance spectroscopies i.e. Near Infrared reflectance spectroscopy (NIR) and Fourier-Transform-Infrared spectroscopy with Attenuated Total Reflection (FT-IR, ATR) coupled with multivariate exploratory methods like Principle Component Analysis (PCA) and Partial least square discriminant analysis (PLS-DA) have been deployed to detect begomovirus infection in papaya leaves. The application of those techniques demonstrates that they are very useful for robust in vivo detection of plant begomovirus infection. These methods are simple, sensitive, reproducible, precise, and do not require any lengthy samples preparation procedures.

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

Tripathi, S., E-mail: shilpatr3@gmail.com; Shripathi, T.; Tripathi, J.

The results are reported on solution cast PMMA-PCTFE blend films characterized using x-ray diffraction and FTIR. The nanocrystalline nature of PMMA is still seen in the blends, however, the bond modifications are clearly observed. The addition of PCTFE results in the modification in structural properties, as reflected in the XRD and FTIR spectra showing modifications in bonding as a function of PCTFE percentage.

Molecular recognition in gas sensing: Results from acoustic wave and in-situ FTIR measurements

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

Hierlemann, A.; Ricco, A.J.; Bodenhoefer, K.

Surface acoustic wave (SAW) measurements were combined with direct, in-situ molecular spectroscopy to understand the interactions of surface-confined sensing films with gas-phase analytes. This was accomplished by collecting Fourier-transform infrared external-reflectance spectra (FTIR-ERS) on operating SAW devices during dosing of their specifically coated surfaces with key analytes.

FTIR absorption indices for thermal maturity in comparison with vitrinite reflectance R0 in type-II kerogens from Devonian black shales

USGS Publications Warehouse

Lis, G.P.; Mastalerz, Maria; Schimmelmann, A.; Lewan, M.D.; Stankiewicz, B.A.

2005-01-01

FTIR absorbance signals in kerogens and macerals were evaluated as indices for thermal maturity. Two sets of naturally matured type-II kerogens from the New Albany Shale (Illinois Basin) and the Exshaw Formation (Western Canada Sedimentary Basin) and kerogens from hydrous pyrolysis artificial maturation of the New Albany Shale were characterized by FTIR. Good correlation was observed between the aromatic/aliphatic absorption ratio and vitrinite reflectance R 0. FTIR parameters are especially valuable for determining the degree of maturity of marine source rocks lacking vitrinite. With increasing maturity, FTIR spectra express four trends: (i) an increase in the absorption of aromatic bands, (ii) a decrease in the absorption of aliphatic bands, (iii) a loss of oxygenated groups (carbonyl and carboxyl), and (iv) an initial decrease in the CH2/CH3 ratio that is not apparent at higher maturity in naturally matured samples, but is observed throughout increasing R0 in artificially matured samples. The difference in the CH2/CH 3 ratio in samples from natural and artificial maturation at higher maturity indicates that short-term artificial maturation at high temperatures is not fully equivalent to slow geologic maturation at lower temperatures. With increasing R0, the (carboxyl + carbonyl)/aromatic carbon ratio generally decreases, except that kerogens from the Exshaw Formation and from hydrous pyrolysis experiments express an intermittent slight increase at medium maturity. FTIR-derived aromaticities correlate well with R0, although some uncertainty is due to the dependence of FTIR parameters on the maceral composition of kerogen whereas R0 is solely dependent on vitrinite. ?? 2005 Elsevier Ltd. All rights reserved.

A proposal for digital electro-optic switches with free-carrier dispersion effect and Goos-Hanchen shift in silicon-on-insulator waveguide corner mirror

NASA Astrophysics Data System (ADS)

Sun, DeGui

2013-09-01

In a silicon-on-insulator (SOI) waveguide corner mirror (WCM) structure, with the quantum process of a frustrated total internal reflection (FTIR) phenomenon and the time delay principle in the two-dimensional potential barrier tunneling process of a mass of particles, we derive an accurate physical model for the Goos-Hanchen (GH) shift of optical guided-mode in the FTIR process, and in principle match the GH shift jumping states with the independent guided-modes. Then, we propose and demonstrate a new regime of 1 × N digital optical switches with a matching state between the free-carrier dispersion (FCD) based refractive index modulation (RIM) of silicon to create a GH shift jumping function of a photonic signal at the reflecting interface and the independent guided-modes in the FTIR process, where a MOS-capacitor type electro-optic modulation regime is proposed and discussed to realize an effective FCD-based RIM. At the critical matching state, i.e., the incident of an optical beam is at the vicinity of Brewster angle in the WCM, a mini-change of refractive index of waveguide material can cause a great jump of GH shift along the FTIR reflecting interface, and further a 1 × N digital optical switching process could be realized. For a 350-500 nm single-mode rib waveguide made on the 220 nm CMOS-compatible SOI substrate and with the FCD effect based RIM of silicon crystal, a concentration variation of 1018-1019 cm-3 has caused a 0.5-2.5 μm GH shift of reflected beam, which is at 2-5 times of a mode-size and hence radically convinces an optical switching function with a 1 × 3-1 × 10 scale.

Structural coloration of chitosan-cationized cotton fabric using photonic crystals

NASA Astrophysics Data System (ADS)

Yavuz, G.; Zille, A.; Seventekin, N.; Souto, A. P.

2017-10-01

In this work, poly (styrene-methyl methacrylate-acrylic acid) P(St-MMA-AA) composite nanospheres were deposited onto chitosan-cationized woven cotton fabrics followed by a second layer of chitosan. The deposited photonic crystals (PCs) on the fabrics were evaluated for coating efficiency and resistance, chemical analysis and color variation by optical and SEM microscopy, ATR-FTIR, diffuse reflectance spectroscopy and washing fastness. Chitosan deposition on cotton fabric provided cationic groups on the fiber surface promoting electrostatic interaction with photonic crystals. SEM images of the washed samples indicate that the PCs are firmly coated on the cotton surface only in the chitosan treated sample. The photonic nanospheres show an average diameter of 280 nm and display a face-centered cubic closepacking structure with an average thickness of 10 μm. A further chitosan post-treatment enhances color yield of the samples due to the chitosan transparent covering layer that induce bright reflections where the angles of incidence and reflection are the same. After washing, no photonic crystal can be detected on control fabric surface. However, the sample that received a chitosan post-treatment showed a good washing fastness maintaining a reasonable degree of iridescence. Chitosan fills the spaces between the polymer spheres in the matrix stabilizing the photonic structure. Sizeable variations in lattice spacing will allow color variations using more flexible non-close-packed photonic crystal arrays in chitosan hydrogels matrices.

Applicability of a Diffuse Reflectance Infrared Fourier Transform handheld spectrometer to perform in situ analyses on Cultural Heritage materials

NASA Astrophysics Data System (ADS)

Arrizabalaga, Iker; Gómez-Laserna, Olivia; Aramendia, Julene; Arana, Gorka; Madariaga, Juan Manuel

2014-08-01

This work studies the applicability of a Diffuse Reflectance Infrared Fourier Transform handheld device to perform in situ analyses on Cultural Heritage assets. This portable diffuse reflectance spectrometer has been used to characterise and diagnose the conservation state of (a) building materials of the Guevara Palace (15th century, Segura, Basque Country, Spain) and (b) different 19th century wallpapers manufactured by the Santa Isabel factory (Vitoria-Gasteiz, Basque Country, Spain) and by the well known Dufour and Leroy manufacturers (Paris, France), all of them belonging to the Torre de los Varona Castle (Villanañe, Basque Country, Spain). In all cases, in situ measurements were carried out and also a few samples were collected and measured in the laboratory by diffuse reflectance spectroscopy (DRIFT) in order to validate the information obtained by the handheld instrument. In the analyses performed in situ, distortions in the diffuse reflectance spectra can be observed due to the presence of specular reflection, showing the inverted bands caused by the Reststrahlen effect, in particular on those IR bands with the highest absorption coefficients. This paper concludes that the results obtained in situ by a diffuse reflectance handheld device are comparable to those obtained with laboratory diffuse reflectance spectroscopy equipment and proposes a few guidelines to acquire good spectra in the field, minimising the influence caused by the specular reflection.

The Use of ATR-FTIR in Conjunction with Thermal Analysis Methods for Efficient Identification of Polymer Samples: A Qualitative Multiinstrument Instrumental Analysis Laboratory Experiment

ERIC Educational Resources Information Center

Dickson-Karn, Nicole M.

2017-01-01

A multi-instrument approach has been applied to the efficient identification of polymers in an upper-division undergraduate instrumental analysis laboratory course. Attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) is used in conjunction with differential scanning calorimetry (DSC) to identify 18 polymer samples and…

Quantification of material state using reflectance FTIR spectroscopy

NASA Astrophysics Data System (ADS)

Criner, Amanda K.; Henry, Christine; Imel, Megan; King, Derek

2018-04-01

A common, frequently violated, assumption implicit in many data analysis techniques is that data is of the same quality across observations. The effect of this assumption is discussed and demonstrated in the example of FTIR of CMCs. An alternative analysis, which incorporates the variation in the quality of the data, is presented. A comparison between the analyses is used to demonstrate this difference.

Measuring Heterogeneous Reaction Rates with ATR-FTIR Spectroscopy to Evaluate Chemical Fates in an Atmospheric Environment: A Physical Chemistry and Environmental Chemistry Laboratory Experiment

ERIC Educational Resources Information Center

Roberts, Jason E.; Zeng, Guang; Maron, Marta K.; Mach, Mindy; Dwebi, Iman; Liu, Yong

2016-01-01

This paper reports an undergraduate laboratory experiment to measure heterogeneous liquid/gas reaction kinetics (ozone-oleic acid and ozone-phenothrin) using a flow reactor coupled to an attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectrometer. The experiment is specially designed for an upper-level undergraduate Physical…

Application of multibounce attenuated total reflectance fourier transform infrared spectroscopy and chemometrics for determination of aspartame in soft drinks.

PubMed

Khurana, Harpreet Kaur; Cho, Il Kyu; Shim, Jae Yong; Li, Qing X; Jun, Soojin

2008-02-13

Aspartame is a low-calorie sweetener commonly used in soft drinks; however, the maximum usage dose is limited by the U.S. Food and Drug Administration. Fourier transform infrared (FTIR) spectroscopy with attenuated total reflectance sampling accessory and partial least-squares regression (PLS) was used for rapid determination of aspartame in soft drinks. On the basis of spectral characterization, the highest R2 value, and lowest PRESS value, the spectral region between 1600 and 1900 cm(-1) was selected for quantitative estimation of aspartame. The potential of FTIR spectroscopy for aspartame quantification was examined and validated by the conventional HPLC method. Using the FTIR method, aspartame contents in four selected carbonated diet soft drinks were found to average from 0.43 to 0.50 mg/mL with prediction errors ranging from 2.4 to 5.7% when compared with HPLC measurements. The developed method also showed a high degree of accuracy because real samples were used for calibration, thus minimizing potential interference errors. The FTIR method developed can be suitably used for routine quality control analysis of aspartame in the beverage-manufacturing sector.

The use of FT-IR reflection-absorbance spectroscopy to study photochemical degradation of polymeric coatings on mirrors

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

Webb, J.D.; Chughtai, A.R.; Czanderna, A.W.

1981-10-01

A technique is presented for in situ study of degradative changes in polymeric coatings on metallic substrates. The technique uses a controlled environment chamber in conjunction with a Fourier-transform infrared (FT-IR) spectrophotometer. The chamber design permits collection of IR reflection-absorbance spectra from a sample undergoing exposure to controlled ultraviolet (UV) radiation, gas mixtures, and temperatures. Initial data presented confirm the ability of the technique to provide information regarding the bulk photochemistry of bisphenol-A polycarbonate coatings on gold and aluminum substrates. Refinements of this technique should allow a detailed kinetic study of degradative reactions at the polymer/metal interface.

Use of FT-IR reflection-absorbance spectroscopy to study photochemical degradation of polymeric coatings on mirrors

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

Webb, J D; Schissel, P; Czanderna, A W

1981-01-01

A technique is presented for in situ study of degradative changes in polymeric coatings on metallic substrates. The technique uses a controlled environment chamber in conjunction with a Fourier-transform infrared (FT-IR) spectrophotometer. The chamber design permits collection of IR reflection-absorbance spectra from a sample undergoing exposure to controlled ultraviolet (uv) radiation, gas mixtures, and temperatures. Initial data presented confirm the ability of the technique to provide information regarding the bulk photochemistry of bisphenol-A polycarbonate coatings on gold and aluminum substrates. Refinements of this technique should allow a detailed kinetic study of degradative reactions at the polymer/metal interface.

Micro transflection on a metallic stick: an innovative approach of reflection infrared spectroscopy for minimally invasive investigation of painting varnishes.

PubMed

Rosi, Francesca; Legan, Lea; Miliani, Costanza; Ropret, Polonca

2017-05-01

A new analytical approach, based on micro-transflection measurements from a diamond-coated metal sampling stick, is presented for the analysis of painting varnishes. Minimally invasive sampling is performed from the varnished surface using the stick, which is directly used as a transflection substrate for micro Fourier transform infrared (FTIR) measurements. With use of a series of varnished model paints, the micro-transflection method has been proved to be a valuable tool for the identification of surface components thanks to the selectivity of the sampling, the enhancement of the absorbance signal, and the easier spectral interpretation because the profiles are similar to transmission mode ones. Driven by these positive outcomes, the method was then tested as tool supporting noninvasive reflection FTIR spectroscopy during the assessment of varnish removal by solvent cleaning on paint models. Finally, the integrated analytical approach based on the two reflection methods was successfully applied for the monitoring of the cleaning of the sixteenth century painting Presentation in the Temple by Vittore Carpaccio. Graphical Abstract Micro-transflection FTIR on a metallic stick for the identification of varnishes during painting cleanings.

Improved backward ray tracing with stochastic sampling

NASA Astrophysics Data System (ADS)

Ryu, Seung Taek; Yoon, Kyung-Hyun

1999-03-01

This paper presents a new technique that enhances the diffuse interreflection with the concepts of backward ray tracing. In this research, we have modeled the diffuse rays with the following conditions. First, as the reflection from the diffuse surfaces occurs in all directions, it is impossible to trace all of the reflected rays. We confined the diffuse rays by sampling the spherical angle out of the reflected rays around the normal vector. Second, the traveled distance of reflected energy from the diffuse surface differs according to the object's property, and has a comparatively short reflection distance. Considering the fact that the rays created on the diffuse surfaces affect relatively small area, it is very inefficient to trace all of the sampled diffused rays. Therefore, we set a fixed distance as the critical distance and all the rays beyond this distance are ignored. The result of this research is that as the improved backward ray tracing can model the illumination effects such as the color bleeding effects, we can replace the radiosity algorithm under the limited environment.

FTIR spectro-imaging of collagen scaffold formation during glioma tumor development.

PubMed

Noreen, Razia; Chien, Chia-Chi; Chen, Hsiang-Hsin; Bobroff, Vladimir; Moenner, Michel; Javerzat, Sophie; Hwu, Yeukuang; Petibois, Cyril

2013-11-01

Evidence has recently emerged that solid and diffuse tumors produce a specific extracellular matrix (ECM) for division and diffusion, also developing a specific interface with microvasculature. This ECM is mainly composed of collagens and their scaffolding appears to drive tumor growth. Although collagens are not easily analyzable by UV-fluorescence means, FTIR imaging has appeared as a valuable tool to characterize collagen contents in tissues, specially the brain, where ECM is normally devoid of collagen proteins. Here, we used FTIR imaging to characterize collagen content changes in growing glioma tumors. We could determine that C6-derived solid tumors presented high content of triple helix after 8-11 days of growth (typical of collagen fibrils formation; 8/8 tumor samples; 91 % of total variance), and further turned to larger α-helix (days 12-15; 9/10 of tumors; 94 % of variance) and β-turns (day 18-21; 7/8 tumors; 97 % of variance) contents, which suggest the incorporation of non-fibrillar collagen types in ECM, a sign of more and more organized collagen scaffold along tumor progression. The growth of tumors was also associated to the level of collagen produced (P < 0.05). This study thus confirms that collagen scaffolding is a major event accompanying the angiogenic shift and faster tumor growth in solid glioma phenotypes.

Effect of H{sub 3}PW{sub 12}O{sub 40} impregnation on Sn-MCM-41 mesoporous molecular sieves and their physico-chemical properties

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

Nedumaran, D.; Department of Chemistry, RMK Engineering College, Chennai; Pandurangan, A., E-mail: pandurangan_a@yahoo.com

2015-01-15

Graphical abstract: The wide angle XRD shows the well dispersion of HPWA in Sn-MCM-41. It enhances the total acidity of the material. The acidity of the material is correlated with sulfone selectivity. The FT-IR of dibenzothiophene and product shows the formation of sulfone (DBTO{sub 2}). - Highlights: • To enhance the total acidity of Sn-MCM-41 TPA is impregnated. • FT-IR and {sup 31}P MAS NMR confirms the HPWA intact on Sn-MCM-41. • EDAX shows the presence of W and P on Sn-MCM-41. • In ODS formation of sulfone was confirmed by FT-IR and {sup 1}H NMR. • The order ofmore » the catalytic activity of the catalysts are 18HSnM > 28HSnM > 8HSnM. - Abstract: Si-Sn-MCM-41 (Si/Sn = 110) mesoporous molecular sieve was synthesized by hydrothermal sol–gel method using cetyltrimethylammonium bromide (CTAB) as surfactant and SnCl{sub 4}·5H{sub 2}O as a metal source. To generate surface acidity of Si-Sn-MCM-41, 12-tungstophosphoric acid (HPWA) is impregnated on it. The acidity of HPWA loading on Sn-MCM-41 was investigated by temperature programmed desorption of NH{sub 3}. The diffused reflectance spectra of ultraviolet radiation, Raman spectra, FT-IR, {sup 29}Si-MAS NMR and {sup 31}P-MAS NMR techniques revealed the intact of α-Keggin anions on Sn-MCM-41. The wide angle XRD results showed that the HPWA is well dispersed on the support. The total acidity was enhanced with increase in loading of H{sub 3}PW{sub 12}O{sub 40}. The catalytic activity was examined in desulfurization of dibenzothiophene in vapor phase system. Among the catalysts 18% HPWA loaded Sn-MCM-41 showed good catalytic activity in desulfurization at 325 °C. The HPWA/Sn-MCM-41 are a suitable solid acid catalyst for converting organic sulfur into insoluble sulfone.« less

Transmitting and reflecting diffuser. [for ultraviolet light

NASA Technical Reports Server (NTRS)

Keafer, L. S., Jr.; Burcher, E. E.; Kopia, L. P. (Inventor)

1973-01-01

A near-Lambertian diffuser is described which transmits and reflects ultraviolet light. An ultraviolet grade fused silica substrate is coated with vaporized fuse silica. The coating thickness is controlled, one thickness causing ultraviolet light to diffuse and another thickness causing ultraviolet light to reflect a near Lambertian pattern.

In situ FTIR and flash pyrolysis/GC-MS characterization of Protosalvinia (Upper Devonian, Kentucky, USA): Implications for maceral classification

USGS Publications Warehouse

Mastalerz, Maria; Hower, J.C.; Carmo, A.

1998-01-01

Protosalvinia from Devonian rocks in Kentucky has been analyzed using petrographic and in situ FTIR and flash pyrolysis/GC-MS techniques in order to discuss its origin and placement in organic matter classification. In reflected light, Protosalvinia resembles cutinite in shape, color and reflectance, whereas in fluorescent mode it reveals yellow-green fluorescence, reminiscent of alginite. Alkylbenzenes, alkylnaphthalenes, and n-alkanes are the principal compounds in the pyrolyzates, whereas alkylphenols and n-alk-l-enes are present in minor concentrations. FTIR results show that aliphatic bands (both in stretching and bending modes) are prominent. Protosalvinia also reveals well developed aromatic bands in the out-of-plane region. Such a mixture of aliphatic and aromatic components is not known in documented organic matter types of either marine or terrestrial origin. It is suggested that Protosalvinia might belong to rare marine organisms that yield aromatic pyrolyzates. Based on morphological features and optical properties Protosalvinia should be classified as a maceral of the liptinite group. It does not, however, fit precisely within any of the established categories of the liptinite macerals.Protosalvinia from Devonian rocks in Kentucky has been analyzed using petrographic and in situ FTIR and flash pyrolysis/GC-MS techniques in order to discuss its origin and placement in organic matter classification. In reflected light, Protosalvinia resembles cutinite in shape, color and reflectance, whereas in fluorescent mode it reveals yellow-green fluorescence, reminiscent of alginite. Alkylbenzenes, alkylnaphthalenes, and n-alkanes are the principal compounds in the pyrolyzates, whereas alkylphenols and n-alk-l-enes are present in minor concentrations. FTIR results show that aliphatic bands (both in stretching and bending modes) are prominent. Protosalvinia also reveals well developed aromatic bands in the out-of-plane region. Such a mixture of aliphatic and aromatic components is not known in documented organic matter types of either marine or terrestrial origin. It is suggested that Protosalvinia might belong to rare marine organisms that yield aromatic pyrolyzates. Based on morphological features and optical properties Protosalvinia should be classified as a maceral of the liptinite group. It does not, however, fit precisely within any of the established categories of the liptinite macerals.

Spectroscopy as a diagnostic tool for urban soil contaminants

NASA Astrophysics Data System (ADS)

Brook, Anna; Kopel, Daniella

2014-05-01

Urbanization has become one of the major forces of change around the globe. Land use transformation, especially urbanization has the most profound influences of human activities because it affects so many of the planet's physical and biological systems. Land use changes directly impact the ability of the earth to continue to provide ecological services to human society and the other occupants of the ecosystems. The urban process gradually degrades and transforms agricultural and natural ecosystems into built environments. The urban environment includes cities, suburbs, peri-urban areas and towns. Urban ecosystems are highly heterogeneous due to the variety of land covers and land purposes. Thus, the choices on managing the extent and arranging the land cover patches (e.g., lawns) assist to shape the emergent structure and function of the urban ecosystems. As a result of ecological conditions and current management status the urban soils show substantial spatial heterogeneity. Whereas, adverse effects of pollutants on ecosystems have been demonstrated, one important need for environmental impact assessment have been defined as maintenance of long-term monitoring systems, which can enable to improve monitoring, modelling and assessment of various stressors in agriculture environment. Diffuse reflectance spectroscopy and diffuse reflectance Fourier-transform infrared (FTIR) spectroscopy across visible-near- short- mid- and long- wave infrared (0.4-14μm) has the potential to meet this demand. Relationships between spectral reflectance and soil properties, such as grain size distribution, moisture, iron oxides, carbonate content, and organic matter, have already been established in many studies (Krishnan et al. 1980, Ben-Dor and Banin 1995, Jarmer et al. 2008, Richter et al. 2009). The aims of this study are to develop diagnostic tool for heavy metals, polycyclic aromatic hydrocarbons, asbestos and other anthropogenic contaminants in urban soil using spectroscopy across 0.4-14μm spectral range. To examine the potential of the above-mentioned technique on contaminated and uncontaminated urban areas in Northern Israel, we propose to use both portable field spectrometers across 0.4-2.5μm and laboratory FTIR system across 3-14μm testing selected bare soil samples and integrate the obtained knowledge into the expert prototype system. The significances and contributions of the proposed work are expected in: 1) estimate morphological and biochemical characteristics of urban soils, 2) examine the possibility to detect early soil response to stress before damage occurs, 3) study the concentration of pollution on urban soils, 4) design and develop the methodology for a near real-time expert monitoring system. The present research will focus on spectral identification and characterization of urban soils toward quality assessment of the urban ecosystem.

Predicting ambient aerosol Thermal Optical Reflectance (TOR) measurements from infrared spectra: organic carbon

NASA Astrophysics Data System (ADS)

Dillner, A. M.; Takahama, S.

2014-11-01

Organic carbon (OC) can constitute 50% or more of the mass of atmospheric particulate matter. Typically, the organic carbon concentration is measured using thermal methods such as Thermal-Optical Reflectance (TOR) from quartz fiber filters. Here, methods are presented whereby Fourier Transform Infrared (FT-IR) absorbance spectra from polytetrafluoroethylene (PTFE or Teflon) filters are used to accurately predict TOR OC. Transmittance FT-IR analysis is rapid, inexpensive, and non-destructive to the PTFE filters. To develop and test the method, FT-IR absorbance spectra are obtained from 794 samples from seven Interagency Monitoring of PROtected Visual Environment (IMPROVE) sites sampled during 2011. Partial least squares regression is used to calibrate sample FT-IR absorbance spectra to artifact-corrected TOR OC. The FTIR spectra are divided into calibration and test sets by sampling site and date which leads to precise and accurate OC predictions by FT-IR as indicated by high coefficient of determination (R2; 0.96), low bias (0.02 μg m-3, all μg m-3 values based on the nominal IMPROVE sample volume of 32.8 m-3), low error (0.08 μg m-3) and low normalized error (11%). These performance metrics can be achieved with various degrees of spectral pretreatment (e.g., including or excluding substrate contributions to the absorbances) and are comparable in precision and accuracy to collocated TOR measurements. FT-IR spectra are also divided into calibration and test sets by OC mass and by OM / OC which reflects the organic composition of the particulate matter and is obtained from organic functional group composition; this division also leads to precise and accurate OC predictions. Low OC concentrations have higher bias and normalized error due to TOR analytical errors and artifact correction errors, not due to the range of OC mass of the samples in the calibration set. However, samples with low OC mass can be used to predict samples with high OC mass indicating that the calibration is linear. Using samples in the calibration set that have a different OM / OC or ammonium / OC distributions than the test set leads to only a modest increase in bias and normalized error in the predicted samples. We conclude that FT-IR analysis with partial least squares regression is a robust method for accurately predicting TOR OC in IMPROVE network samples; providing complementary information to the organic functional group composition and organic aerosol mass estimated previously from the same set of sample spectra (Ruthenburg et al., 2014).

Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Spectroscopy as an Analytical Method to Investigate the Secondary Structure of a Model Protein Embedded in Solid Lipid Matrices.

PubMed

Zeeshan, Farrukh; Tabbassum, Misbah; Jorgensen, Lene; Medlicott, Natalie J

2018-02-01

Protein drugs may encounter conformational perturbations during the formulation processing of lipid-based solid dosage forms. In aqueous protein solutions, attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy can investigate these conformational changes following the subtraction of spectral interference of solvent with protein amide I bands. However, in solid dosage forms, the possible spectral contribution of lipid carriers to protein amide I band may be an obstacle to determine conformational alterations. The objective of this study was to develop an ATR FT-IR spectroscopic method for the analysis of protein secondary structure embedded in solid lipid matrices. Bovine serum albumin (BSA) was chosen as a model protein, while Precirol AT05 (glycerol palmitostearate, melting point 58 ℃) was employed as the model lipid matrix. Bovine serum albumin was incorporated into lipid using physical mixing, melting and mixing, or wet granulation mixing methods. Attenuated total reflection FT-IR spectroscopy and size exclusion chromatography (SEC) were performed for the analysis of BSA secondary structure and its dissolution in aqueous media, respectively. The results showed significant interference of Precirol ATO5 with BSA amide I band which was subtracted up to 90% w/w lipid content to analyze BSA secondary structure. In addition, ATR FT-IR spectroscopy also detected thermally denatured BSA solid alone and in the presence of lipid matrix indicating its suitability for the detection of denatured protein solids in lipid matrices. Despite being in the solid state, conformational changes occurred to BSA upon incorporation into solid lipid matrices. However, the extent of these conformational alterations was found to be dependent on the mixing method employed as indicated by area overlap calculations. For instance, the melting and mixing method imparted negligible effect on BSA secondary structure, whereas the wet granulation mixing method promoted more changes. Size exclusion chromatography analysis depicted the complete dissolution of BSA in the aqueous media employed in the wet granulation method. In conclusion, an ATR FT-IR spectroscopic method was successfully developed to investigate BSA secondary structure in solid lipid matrices following the subtraction of lipid spectral interference. The ATR FT-IR spectroscopy could further be applied to investigate the secondary structure perturbations of therapeutic proteins during their formulation development.

Applicability of a Diffuse Reflectance Infrared Fourier Transform handheld spectrometer to perform in situ analyses on Cultural Heritage materials.

PubMed

Arrizabalaga, Iker; Gómez-Laserna, Olivia; Aramendia, Julene; Arana, Gorka; Madariaga, Juan Manuel

2014-08-14

This work studies the applicability of a Diffuse Reflectance Infrared Fourier Transform handheld device to perform in situ analyses on Cultural Heritage assets. This portable diffuse reflectance spectrometer has been used to characterise and diagnose the conservation state of (a) building materials of the Guevara Palace (15th century, Segura, Basque Country, Spain) and (b) different 19th century wallpapers manufactured by the Santa Isabel factory (Vitoria-Gasteiz, Basque Country, Spain) and by the well known Dufour and Leroy manufacturers (Paris, France), all of them belonging to the Torre de los Varona Castle (Villanañe, Basque Country, Spain). In all cases, in situ measurements were carried out and also a few samples were collected and measured in the laboratory by diffuse reflectance spectroscopy (DRIFT) in order to validate the information obtained by the handheld instrument. In the analyses performed in situ, distortions in the diffuse reflectance spectra can be observed due to the presence of specular reflection, showing the inverted bands caused by the Reststrahlen effect, in particular on those IR bands with the highest absorption coefficients. This paper concludes that the results obtained in situ by a diffuse reflectance handheld device are comparable to those obtained with laboratory diffuse reflectance spectroscopy equipment and proposes a few guidelines to acquire good spectra in the field, minimising the influence caused by the specular reflection. Copyright © 2014 Elsevier B.V. All rights reserved.

Characterization of interaction between natural rubber and silica by FTIR

NASA Astrophysics Data System (ADS)

Jarnthong, Methakarn; Liao, Lusheng; Zhang, Fuquan; Wang, Yueqiong; Li, Puwang; Peng, Zheng; Malawet, Chutarat; Intharapat, Punyanich

2017-05-01

Blending of natural rubber (NR) and nanosilica (SiO2) was performed in latex state. The mechanical properties of NR/SiO2 nanocomposites at various filler contents were investigated. The interactions of unvulcanized natural rubber and nanosilica filler were characterized using Fourier Transform Infrared (FTIR)-Attenuated Total Reflectance (ATR) spectroscopy. The relationship between mechanical properties and rubber-filler interaction was discussed.

In-vivo Reflectance Measurements from Human Skin

NASA Astrophysics Data System (ADS)

Delgado, J. A.; Cornejo, A.; Cunill, M.; Báez, J. J.; Matos, R.; Anasagasti, L.; Santiago, C.

2006-09-01

We evaluate the potential of using a standard commercial spectrophotometer, specifically designed to meet the growing requirement for color control in the digital-imaging application field, to perform in-vivo diffuse reflectance measurements from adult human skin. We report and discuss diffuse reflectance spectra for three practical situations: a) reflectance versus skin type, b) reflectance from normal skin with different grade of solar exposition, c) reflectance from normal skin versus reflectance from seborrheic keratosis. Results show, that using the above spectrophotometer we can easily differentiate two sites of different solar exposition. Besides, significant differences are found in the normal skin diffuse reflectance for patients with different skin types.

Attenuated total reflectance-FT-IR spectroscopy for gunshot residue analysis: potential for ammunition determination.

PubMed

Bueno, Justin; Sikirzhytski, Vitali; Lednev, Igor K

2013-08-06

The ability to link a suspect to a particular shooting incident is a principal task for many forensic investigators. Here, we attempt to achieve this goal by analysis of gunshot residue (GSR) through the use of attenuated total reflectance (ATR) Fourier transform infrared spectroscopy (FT-IR) combined with statistical analysis. The firearm discharge process is analogous to a complex chemical process. Therefore, the products of this process (GSR) will vary based upon numerous factors, including the specific combination of the firearm and ammunition which was discharged. Differentiation of FT-IR data, collected from GSR particles originating from three different firearm-ammunition combinations (0.38 in., 0.40 in., and 9 mm calibers), was achieved using projection to latent structures discriminant analysis (PLS-DA). The technique was cross (leave-one-out), both internally and externally, validated. External validation was achieved via assignment (caliber identification) of unknown FT-IR spectra from unknown GSR particles. The results demonstrate great potential for ATR-FT-IR spectroscopic analysis of GSR for forensic purposes.

Determination of chemical changes in heat-treated wood using ATR-FTIR and FT Raman spectrometry

NASA Astrophysics Data System (ADS)

Özgenç, Özlem; Durmaz, Sefa; Boyaci, Ismail Hakki; Eksi-Kocak, Haslet

2017-01-01

In this study, attenuated total reflectance-Fourier transform infrared (ATR-FTIR) and Fourier-transform Raman (FT-Raman) spectroscopy techniques were used to determine changes in the chemical structure of heat-treated woods. For this purpose, scots pine (Pinus sylvestris L.), oriental beech (Fagus orientalis L.), and oriental spruce (Picea orientalis L.) wood species were heat-treated at different temperatures. The effect of chemical changes on the FT-Raman and ATR-FTIR bands or ratios of heat-treated wood was related with the OH association of cellulose, functional groups, and the aromatic system of lignin. The effects of heat treatment on the carbohydrate and lignin peaks varied depending on the wood species. The spectral changes that occurred after heat treatment reflected the progress of the condensation reaction of lignin. Degradation of hemicelluloses led to a decrease in free hydroxyl groups. High temperature caused crystalline cellulose to increase due to the degradation of amorphous cellulose.

Determination of chemical changes in heat-treated wood using ATR-FTIR and FT Raman spectrometry.

PubMed

Özgenç, Özlem; Durmaz, Sefa; Boyaci, Ismail Hakki; Eksi-Kocak, Haslet

2017-01-15

In this study, attenuated total reflectance-Fourier transform infrared (ATR-FTIR) and Fourier-transform Raman (FT-Raman) spectroscopy techniques were used to determine changes in the chemical structure of heat-treated woods. For this purpose, scots pine (Pinus sylvestris L.), oriental beech (Fagus orientalis L.), and oriental spruce (Picea orientalis L.) wood species were heat-treated at different temperatures. The effect of chemical changes on the FT-Raman and ATR-FTIR bands or ratios of heat-treated wood was related with the OH association of cellulose, functional groups, and the aromatic system of lignin. The effects of heat treatment on the carbohydrate and lignin peaks varied depending on the wood species. The spectral changes that occurred after heat treatment reflected the progress of the condensation reaction of lignin. Degradation of hemicelluloses led to a decrease in free hydroxyl groups. High temperature caused crystalline cellulose to increase due to the degradation of amorphous cellulose. Copyright © 2016 Elsevier B.V. All rights reserved.

Diffuse reflectance spectroscopy of pre- and post-treated oral submucous fibrosis: an in vivo study

NASA Astrophysics Data System (ADS)

Sivabalan, S.; Ponranjini Vedeswari, C.; Jayachandran, S.; Koteeswaran, D.; Pravda, C.; Aruna, P.; Ganesan, S.

2010-02-01

Oral submucous fibrosis (OSF) is a high risk precancerous condition characterized by changes in the connective tissue fibers of the lamina propria and deeper parts leading to stiffness of the mucosa and restricted mouth opening, fibrosis of the lining mucosa of the upper digestive tract involving the oral cavity, oro- and hypo-pharynx and the upper two-thirds of the oesophagus. Optical reflectance measurements have been used to extract diagnostic information from a variety of tissue types, in vivo. We apply diffuse reflectance spectroscopy to quantitatively monitor tumour response to chemotherapy. Twenty patients with submucous fibrosis were diagnosed with diffuse reflectance spectroscopy and treated with the chemotherapy drug, Dexamethasone sodium phosphate and Hyaluronidase injection for seven weeks and after the treatment they were again subjected to the diffuse reflectance spectroscopy. The major observed spectral alterations on pre and post treated submucous fibrosis is an increase in the diffuse reflectance from 450 to 600 nm. Normal mucosa has showed higher reflectance when compared to the pre and post-treated cases. The spectral changes were quantified and correlated to conventional diagnostic results viz., maximum mouth opening, tongue protrusion and burning sensation. The results of this study suggest that the diffuse reflectance spectroscopy may also be considered as complementary optical techniques to monitor oral tissue transformation.

Influence of diffuse reflectance measurement accuracy on the scattering coefficient in determination of optical properties with integrating sphere optics (a secondary publication).

PubMed

Horibe, Takuro; Ishii, Katsunori; Fukutomi, Daichi; Awazu, Kunio

2015-12-30

An estimation error of the scattering coefficient of hemoglobin in the high absorption wavelength range has been observed in optical property calculations of blood-rich tissues. In this study, the relationship between the accuracy of diffuse reflectance measurement in the integrating sphere and calculated scattering coefficient was evaluated with a system to calculate optical properties combined with an integrating sphere setup and the inverse Monte Carlo simulation. Diffuse reflectance was measured with the integrating sphere using a small incident port diameter and optical properties were calculated. As a result, the estimation error of the scattering coefficient was improved by accurate measurement of diffuse reflectance. In the high absorption wavelength range, the accuracy of diffuse reflectance measurement has an effect on the calculated scattering coefficient.

Source Determination of Red Gel Pen Inks using Raman Spectroscopy and Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy combined with Pearson's Product Moment Correlation Coefficients and Principal Component Analysis.

PubMed

Mohamad Asri, Muhammad Naeim; Mat Desa, Wan Nur Syuhaila; Ismail, Dzulkiflee

2018-01-01

The potential combination of two nondestructive techniques, that is, Raman spectroscopy (RS) and attenuated total reflectance-fourier transform infrared (ATR-FTIR) spectroscopy with Pearson's product moment correlation (PPMC) coefficient (r) and principal component analysis (PCA) to determine the actual source of red gel pen ink used to write a simulated threatening note, was examined. Eighteen (18) red gel pens purchased from Japan and Malaysia from November to December 2014 where one of the pens was used to write a simulated threatening note were analyzed using RS and ATR-FTIR spectroscopy, respectively. The spectra of all the red gel pen inks including the ink deposited on the simulated threatening note gathered from the RS and ATR-FTIR analyses were subjected to PPMC coefficient (r) calculation and principal component analysis (PCA). The coefficients r = 0.9985 and r = 0.9912 for pairwise combination of RS and ATR-FTIR spectra respectively and similarities in terms of PC1 and PC2 scores of one of the inks to the ink deposited on the simulated threatening note substantiated the feasibility of combining RS and ATR-FTIR spectroscopy with PPMC coefficient (r) and PCA for successful source determination of red gel pen inks. The development of pigment spectral library had allowed the ink deposited on the threatening note to be identified as XSL Poppy Red (CI Pigment Red 112). © 2017 American Academy of Forensic Sciences.

Applications of fourier transform infrared spectroscopy to surface analysis problems 2

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

Powell, G.L.; Milosevic, M.

Applications of infrared spectroscopy to surface analysis are described in terms of the combined use of a number of techniques to solve specific surface analysis problems involving both qualitative and quantitative analysis of surface species. Emphasis is placed on the characterization of both the substrate and the surface species and the application of this to the monitoring of surface processes and the inspection of manufactured items. Lithium Hydride has been studied using remote analysis by diffuse reflectance in glove boxes containing very pure argon or controlled moisture levels with robot-operated gravimetric monitoring. These experiments are supported by internal reflectance andmore » diffuse reflectance measurements in spectrometer sample compartments to characterize the reactants. Beryllium oxide has been studied using an evacuable diffuse reflectance cell to determine the effects of vacuum baking reexposure to moisture on the surface hydroxyl species. Diffuse reflectance and emission measurements have been used to monitor the curing and reaction of environmental gases with composite materials such as graphite-expoxy structures. A direct comparison of diffuse reflectance and emission spectra was done using a barrel ellipsoid diffuse reflectance/emission detector and Spectropus optical transfer system. Grazing-incidence external-reflectance with p-polarized light was used to study the oxidation in room air of polished uranium coupons. The absorption band at 570 cm{sup {minus}1} was used to monitor the extent of oxidation with a resolution of approximately one monolayer of UO{sub 2} and to distinguish the parabolic, linear, and breakaway corrosion domains. External reflectance is compared with diffuse reflectance as a method for stain analysis and for measuring the effects of H{sub 2}O in UO{sub 2} corrosion films.« less

Applications of fourier transform infrared spectroscopy to surface analysis problems 2. Revision 1

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

Powell, G.L.; Milosevic, M.

Applications of infrared spectroscopy to surface analysis are described in terms of the combined use of a number of techniques to solve specific surface analysis problems involving both qualitative and quantitative analysis of surface species. Emphasis is placed on the characterization of both the substrate and the surface species and the application of this to the monitoring of surface processes and the inspection of manufactured items. Lithium Hydride has been studied using remote analysis by diffuse reflectance in glove boxes containing very pure argon or controlled moisture levels with robot-operated gravimetric monitoring. These experiments are supported by internal reflectance andmore » diffuse reflectance measurements in spectrometer sample compartments to characterize the reactants. Beryllium oxide has been studied using an evacuable diffuse reflectance cell to determine the effects of vacuum baking reexposure to moisture on the surface hydroxyl species. Diffuse reflectance and emission measurements have been used to monitor the curing and reaction of environmental gases with composite materials such as graphite-expoxy structures. A direct comparison of diffuse reflectance and emission spectra was done using a barrel ellipsoid diffuse reflectance/emission detector and Spectropus optical transfer system. Grazing-incidence external-reflectance with p-polarized light was used to study the oxidation in room air of polished uranium coupons. The absorption band at 570 cm{sup {minus}1} was used to monitor the extent of oxidation with a resolution of approximately one monolayer of UO{sub 2} and to distinguish the parabolic, linear, and breakaway corrosion domains. External reflectance is compared with diffuse reflectance as a method for stain analysis and for measuring the effects of H{sub 2}O in UO{sub 2} corrosion films.« less

Insights into structure and dynamics of (Mn,Fe)Ox-promoted Rh nanoparticles.

PubMed

Dimitrakopoulou, Maria; Huang, Xing; Kröhnert, Jutta; Teschner, Detre; Praetz, Sebastian; Schlesiger, Christopher; Malzer, Wolfgang; Janke, Christiane; Schwab, Ekkehard; Rosowski, Frank; Kaiser, Harry; Schunk, Stephan; Schlögl, Robert; Trunschke, Annette

2018-05-29

The mutual interaction between Rh nanoparticles and manganese/iron oxide promoters in silica-supported Rh catalysts for the hydrogenation of CO to higher alcohols was analyzed by applying a combination of integral techniques including temperature-programmed reduction (TPR), X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS) and Fourier transform infrared (FTIR) spectroscopy with local analysis by using high angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) in combination with energy dispersive X-ray spectroscopy (EDX). The promoted catalysts show reduced CO adsorption capacity as evidenced through FTIR spectroscopy, which is attributed to a perforated core-shell structure of the Rh nano-particles in accordance with the microstructural analysis from electron microscopy. Iron and manganese occur in low formal oxidation states between 2+ and zero in the reduced catalysts as shown by using TPR and XAS. Infrared spectroscopy measured in diffuse reflectance at reaction temperature and pressure indicates that partial coverage of the Rh particles is maintained at reaction temperature under operation and that the remaining accessible metal adsorption sites might be catalytically less relevant because the hydrogenation of adsorbed carbonyl species at 523 K and 30 bar hydrogen essentially failed. It is concluded that Rh0 is poisoned due to the adsorption of CO under the reaction conditions of CO hydrogenation. The active sites are associated either with a (Mn,Fe)Ox (x < 0.25) phase or species at the interface between Rh and its co-catalyst (Mn,Fe)Ox.

Spectral characteristics of the bentonite loaded with benzyldimethyloctadecylammonium chloride, hexadecyltrimethylammonium bromide and dimethyldioctadecylammonium bromide

NASA Astrophysics Data System (ADS)

Majdan, Marek; Maryuk, Oksana; Gładysz-Płaska, Agnieszka; Pikus, Stanisław; Kwiatkowski, Ryszard

2008-02-01

The spectral characterization, including the FTIR, DRIFT (diffusive reflectance), SWAXS (small and wide angle X-ray scattering) spectra comparison of the sodium bentonite modified by BDMODA-Cl (benzyldimethyloctadecylammonium chloride), HDTMA-Br (hexadecyltrimethylammonium bromide), DDA-Br (dimethyldioctadecylammonium bromide) is presented in the paper. The FTIR spectra show the shift of C-H stretching vibrations: νsym(CH2), νasym(CH2) of surfactants methylene chains toward lower frequencies (from 2855 to 2851 cm -1 for νsym(CH2) and from 2927 to 2918 cm -1 for νansym(CH2) with the surfactant concentration in bentonite phase. The bending vibrations δH-O-H in water molecules change their positions in the direction of higher frequencies (from 1634 to 1647 cm -1) with the surfactant concentration for bentonite-BDMODA and bentonite-DDA contrary to bentonite-HDTMA, where the constant position δH-O-H is explained as the consequence of the lower concentration of the hydrogen bonded water in bentonite-HDTMA phase when compared with the remaining forms of bentonite. The DRIFT spectra reveal dramatic shift of the νSi-O stretching vibration toward higher frequencies upon intercalation of the sodium bentonite with the surfactant cations. The SWAXS spectra and SEM images of the bentonite are the evidence of somewhat different sorption mechanism of DDA-Br when compared with the BDMODA-Cl and HDTMA-Br, including remarkable external surface sorption contribution in the overall sorption.

An insight into the molecular mechanism of the temporary enhancement effect of isopulegol decanoate on the skin.

PubMed

Liu, Xiaochang; Liu, Meiying; Liu, Chao; Quan, Peng; Zhao, Yongshan; Fang, Liang

2017-08-30

Chemical enhancers are widely used to facilitate drug permeation in transdermal drug delivery system (TDDS) and the effect of chemical enhancers is desired to be temporary. Though temporary enhancement effect of chemical enhancers has been widely discussed, there is still a lack of knowledge about the molecular mechanism of temporary enhancement effect. Using the skin permeation of flurbiprofen as a probe, the temporary enhancement effect of isopulegol decanoate (ISO-10) was evaluated with in vitro permeation experiment and confocal laser scanning microscopy (CLSM). In addition, molecular mechanism of skin recovery was explored with skin retention of ISO-10, attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR), molecular dynamic (MD) simulation and transepidermal water loss (TEWL). Temporary enhancement effect of ISO-10 was observed by the permeation of flurbiprofen after the treatment of 180min. Furthermore, temporary enhancement effect of ISO-10 on the diffusion of intercellular lipid in the stratum cornuem (SC) was observed by ATR-FTIR, molecular dynamic (MD) simulation. The SC barrier function recovered with the existence of ISO-10 in the lipid bilayer as indicated by the retention study and TEWL. In conclusion, the lipid bilayer accepted the enhancer as a new component to form a new stable arrangement, resulted the recovery of the skin barrier function. This work processed a novel mechanism of the recovery of skin barrier function after the addition of chemical enhancers. Copyright © 2017 Elsevier B.V. All rights reserved.

Photochemical degradation of polymeric coatings on mirrors as studied in situ using FT-IR reflection-absorbance spectroscopy

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

Webb, J.D.; Schissel, P.; Czanderna, A.W.

1981-12-01

Reflection-absorbance spectroscopy has been used to obtain analytical information on samples of polymer/metal multilayer stacks subjected to degradative factors. The capabilities of the apparatus are summarized and representative data from initial studies are presented. (LEW)

Functionalized mesoporous silica supported copper(II) and nickel(II) catalysts for liquid phase oxidation of olefins.

PubMed

Nandi, Mahasweta; Roy, Partha; Uyama, Hiroshi; Bhaumik, Asim

2011-12-14

Highly ordered 2D-hexagonal mesoporous silica has been functionalized with 3-aminopropyltriethoxysilane (3-APTES). This is followed by its condensation with a dialdehyde, 4-methyl-2,6-diformylphenol to produce an immobilized Schiff-base ligand (I). This material is separately treated with methanolic solution of copper(II) chloride and nickel(II) chloride to obtain copper and nickel anchored mesoporous materials, designated as Cu-AMM and Ni-AMM, respectively. The materials have been characterized by Fourier transform infrared (FT-IR) and UV-vis diffuse reflectance (DRS) spectroscopy, powder X-ray diffraction (XRD), transmission electron microscopy (TEM), N(2) adsorption-desorption studies and (13)C CP MAS NMR spectroscopy. The metal-grafted mesoporous materials have been used as catalysts for the efficient and selective epoxidation of alkenes, viz. cyclohexene, trans-stilbene, styrene, α-methyl styrene, cyclooctene and norbornene to their corresponding epoxides in the presence of tert-butyl hydroperoxide (TBHP) as the oxidant under mild liquid phase conditions.

Visible light assisted photodecolorization of eosin-Y in aqueous solution using hesperidin modified TiO2 nanoparticles

NASA Astrophysics Data System (ADS)

Vignesh, K.; Suganthi, A.; Rajarajan, M.; Sakthivadivel, R.

2012-03-01

Hesperidin a flavanoid, modified TiO2 nanoparticles (Hes-TiO2) was synthesized to improve the visible light driven photocatalytic performance of TiO2. The synthesized nanoparticles were characterized by UV-visible diffuse reflectance spectroscopy (UV-vis-DRS), FT-IR, powder X-ray diffraction (XRD) and scanning electron microscopy (SEM). The photocatalytic activity of Hes-TiO2 was investigated based on the decolorization of eosin-Y under visible light irradiation. Hes-TiO2 showed high efficiency for the decolorization of eosin-Y. The influences of various reaction parameters like effect of pH, catalyst dosage and initial dye concentration on the photocatalytic efficiency were investigated. The adsorption of eosin-Y on Hes-TiO2 was found favorable by the Langmuir approach. The removal percentage of chemical oxygen demand (COD) was determined to evaluate the mineralization of eosin-Y during photodecolorization. Based on the intermediates obtained in the GC-MS spectroscopic technique, a probable degradation mechanism has been proposed.

Investigation of sorption interactions between oil shale principal mineral phases and organic compounds

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

Bowen, J.M.

1988-09-01

The interactions between minerals representative of the bulk composition of oil shales and organic compounds that have been found in oil shale leachates were investigated. The method used to directly determine the type of interactions that could take place between organic compounds and oil shale mineral phases was Fourier transform infrared spectroscopy (FTIR) using several advanced detection methods, including diffuse reflectance (DRIFT) and photoacoustics (PAS). The minerals that were investigated include quartz, calcite, and dolomite, which are known to figure significantly in the composition of processed oil shales. The organic chemical compounds used were chosen from a list of compoundsmore » identified in spent oil shale leachates, and they include pyridine, phenol, p-cresol, and acetone. The sorption interactions for the study were prepared by exposing each of the minerals to the organic compounds by three different methods. These were vapor deposition, direct application, and immersion in an aqueous solution at pH 12. 41 refs., 3 figs., 4 tabs.« less

Ultrathin nanosheets of graphitic carbon nitride heterojunction with flower like Bi2O3 for photodegradation of organic pollutants

NASA Astrophysics Data System (ADS)

Bano, Zahira; Muhmood, Tahir; Xia, Mingzhu; Lei, Wu; Wang, Fengyun

2018-05-01

The flower like microrods (MR) of α-Bi2O3 defined as (MR-Bi2O3) and ultrathin g-C3N4(UT-C3N4) p-n junction was successfully prepared by loading different concentrations of UT-C3N4 over MR-Bi2O3. Their morphology and structure were thoroughly studied by XRD, SEM, XPS, TEM, UV–vis diffuse reflectance spectra, FT-IR and PL spectra. The results showed that the UT-C3N4 has been wrapped in the flower like MR-Bi2O3. The designing of the p-n junction of UT- C3N4 and MR-Bi2O3 can enhance the separation efficiency of the electron-hole pairs. The photocatalytic degradation of RhB was drastically increased by designing of the p-n junction that is due to the photogenerated electron–hole pair’s separation efficiency.

Gold-Gilded Zinc Oxide Nanodiamonds: Plasmonic and Morphological Effects

NASA Astrophysics Data System (ADS)

Khan, G. R.; Khan, R. A.

The novel properties, diverse applications and device performance of nanocomposites can be greatly modulated through astute combination of plasmonic and morphological effects. The biosensing sensitivity, semiconducting capability, photocatalytic efficiency and antibacterial efficacy of ZnO nanostructures can be enhanced by a diamond-like morphology of ZnO via incorporation of plasmonic gold owing to their exceptional specific surface area, outstanding photoluminescence and excellent biocompatibility. Toward the realization of this goal, Au-Zno nanodiamonds have been successfully synthesized by a microwave assisted solution phase route without use of any costly solvents, surfactants, substrates, post-synthesis treatment or hazardous ingredients. It shows the ability to control the concentration of Au nanoparticles in ZnO and the evolution of its growth in diamond shape. The synthesized nanocomposites were characterized by high-resolution measurements such as transmission electron microscopy (TEM), diffused reflectance spectroscopy (DRS), energy dispersive X-ray spectroscopy (EDX), X-ray diffractometory (XRD), Raman spectroscopy and Fourier transform infrared spectroscopy (FT-IR), and the results discussed in detail.

Synthesis, optical properties and efficient photocatalytic activity of CdO/ZnO hybrid nanocomposite

NASA Astrophysics Data System (ADS)

Reddy, Ch Venkata; Babu, B.; Shim, Jaesool

2018-01-01

Pure CdO, ZnO and CdO/ZnO hybrid nanocomposite photocatalyst were synthesized using simple co-precipitation technique and studied in detail. The synthesized photocatalysts were characterized using several measurements such as X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), surface analysis (BET), diffuse reflectance UV-vis spectroscopy, X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, FT-IR, TG-DTA and photoluminescence (PL). The XRD results revealed that the hexagonal and cubic crystal structure of CdO and ZnO nanoparticles. The optical response for the composite showed the presence of separate absorption signature for CdO and ZnO in the visible region at about 510 nm and 360 nm respectively. The CdO/ZnO hybrid nanocomposite photocatalyst exhibited enhanced photocatalytic degradation activity compared to pristine CdO and ZnO. The enhanced photocatalytic activity may be due to the higher specific surface area and significantly reduced the electron-hole recombination rate.

Photocatalytic activity of Fe-doped CaTiO₃ under UV-visible light.

PubMed

Yang, He; Han, Chong; Xue, Xiangxin

2014-07-01

The photocatalytic degradation of methylene blue (MB) over Fe-doped CaTiO₃ under UV-visible light was investigated. The as-prepared samples were characterized using X-ray diffraction (XRD), scanning electron microscope (SEM) equipped with an energy dispersive spectrometer (EDS) system, Fourier transform infrared spectra (FT-IR), and UV-visible diffuse reflectance spectroscopy (DRS). The results show that the doping with Fe significantly promoted the light absorption ability of CaTiO₃ in the visible light region. The Fe-doped CaTiO₃ exhibited higher photocatalytic activity than CaTiO₃ for the degradation of MB. However, the photocatalytic activity of the Fe-doped CaTiO₃ was greatly influenced by the calcination temperature during the preparation process. The Fe-doped CaTiO₃ prepared at 500°C exhibited the best photocatalytic activity, with degradation of almost 100% MB (10ppm) under UV-visible light for 180 min. Copyright © 2014. Published by Elsevier B.V.

Adsorption of Pb(II) from aqueous solution using a magnetic chitosan/graphene oxide composite and its toxicity studies.

PubMed

Samuel, Melvin S; Shah, Sk Sheriff; Bhattacharya, Jayanta; Subramaniam, Kalidass; Pradeep Singh, N D

2018-05-02

This study involves the adsorption of lead using magnetic chitosan/graphene oxide (MCGO) composite material in batch mode. The MCGO composite material was synthesized via modified Hummers method. The MCGO composite material was characterized by powder x-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM), Tunnelling electron microscopy (TEM), thermogravimetric analysis (TGA), Brunauer-Emmett-Teller (BET) and UV-vis diffusive reflectance spectra. The adsorption mechanism of MCGO composite material was well described by Langmuir isotherm and pseudo second order kinetic model, with a high regression coefficient (<0.99). The MCGO composite material was applied for the removal of lead metal from aqueous solution. We have also evaluated toxicity of synthesized MCGO composite material by examining on A549 cells. The results have shown that MCGO material showed viable cell percentage of 53.7% at 50 μg and 44.8% at 100 μg. Copyright © 2018 Elsevier B.V. All rights reserved.

Classification and identification of Rhodobryum roseum Limpr. and its adulterants based on fourier-transform infrared spectroscopy (FTIR) and chemometrics.

PubMed

Cao, Zhen; Wang, Zhenjie; Shang, Zhonglin; Zhao, Jiancheng

2017-01-01

Fourier-transform infrared spectroscopy (FTIR) with the attenuated total reflectance technique was used to identify Rhodobryum roseum from its four adulterants. The FTIR spectra of six samples in the range from 4000 cm-1 to 600 cm-1 were obtained. The second-derivative transformation test was used to identify the small and nearby absorption peaks. A cluster analysis was performed to classify the spectra in a dendrogram based on the spectral similarity. Principal component analysis (PCA) was used to classify the species of six moss samples. A cluster analysis with PCA was used to identify different genera. However, some species of the same genus exhibited highly similar chemical components and FTIR spectra. Fourier self-deconvolution and discrete wavelet transform (DWT) were used to enhance the differences among the species with similar chemical components and FTIR spectra. Three scales were selected as the feature-extracting space in the DWT domain. The results show that FTIR spectroscopy with chemometrics is suitable for identifying Rhodobryum roseum and its adulterants.

Optimization of an Optical Test Bench for Tire Properties Measurement and Tread Defects Characterization

PubMed Central

Castillo Aguilar, Juan Jesús; Cabrera Carrillo, Juan Antonio; Guerra Fernández, Antonio Jesús; Postigo Pozo, Sergio

2017-01-01

Tire characteristics and behavior are of great importance in vehicle dynamics since the forces transmitted in the tire-road contact are the main contributors to global vehicle performance. Several research groups have focused on the study and modeling of tires. Some of the most important factors that need to be known are tread characteristics and pressure distribution in the tire-ground contact patch. In this work, a test bench has been used to adequately determine the aforementioned factors. The measurement principle of the test bench is the frustration of total internal reflection (FTIR) of light. It makes use of a laterally illuminated glass on which the tire leans. An interposed plastic interface between them causes the reflection of light. Finally, a video camera captures the bright image formed through the glass. The brightness level in each pixel of the image is related to existing normal pressure. A study of the parameters that affect the test bench calibration such as type of interface material used, diffuse light, hysteresis, creep and transverse light absorption is performed. Experimental tests are conducted to relate tire inflation pressure and camber angle to the pressure distribution. Furthermore, the test bench is used to detect and evaluate the influence of defects in the tire on the contact pressures. PMID:28353674

Optimization of an Optical Test Bench for Tire Properties Measurement and Tread Defects Characterization.

PubMed

Castillo Aguilar, Juan Jesús; Cabrera Carrillo, Juan Antonio; Guerra Fernández, Antonio Jesús; Postigo Pozo, Sergio

2017-03-29

Tire characteristics and behavior are of great importance in vehicle dynamics since the forces transmitted in the tire-road contact are the main contributors to global vehicle performance. Several research groups have focused on the study and modeling of tires. Some of the most important factors that need to be known are tread characteristics and pressure distribution in the tire-ground contact patch. In this work, a test bench has been used to adequately determine the aforementioned factors. The measurement principle of the test bench is the frustration of total internal reflection (FTIR) of light. It makes use of a laterally illuminated glass on which the tire leans. An interposed plastic interface between them causes the reflection of light. Finally, a video camera captures the bright image formed through the glass. The brightness level in each pixel of the image is related to existing normal pressure. A study of the parameters that affect the test bench calibration such as type of interface material used, diffuse light, hysteresis, creep and transverse light absorption is performed. Experimental tests are conducted to relate tire inflation pressure and camber angle to the pressure distribution. Furthermore, the test bench is used to detect and evaluate the influence of defects in the tire on the contact pressures.

Reduction of skylight reflection effects in the above-water measurement of diffuse marine reflectance.

PubMed

Fougnie, B; Frouin, R; Lecomte, P; Deschamps, P Y

1999-06-20

Reflected skylight in above-water measurements of diffuse marine reflectance can be reduced substantially by viewing the surface through an analyzer transmitting the vertically polarized component of incident radiance. For maximum reduction of effects, radiometric measurements should be made at a viewing zenith angle of approximately 45 degrees (near the Brewster angle) and a relative azimuth angle between solar and viewing directions greater than 90 degrees (backscattering), preferably 135 degrees. In this case the residual reflected skylight in the polarized signal exhibits minimum sensitivity to the sea state and can be corrected to within a few 10(-4) in reflectance units. For most oceanic waters the resulting relative error on the diffuse marine reflectance in the blue and green is less than 1%. Since the water body polarizes incident skylight, the measured polarized reflectance differs from the total reflectance. The difference, however, is small for the considered geometry. Measurements made at the Scripps Institution of Oceanography pier in La Jolla, Calif., with a specifically designed scanning polarization radiometer, confirm the theoretical findings and demonstrate the usefulness of polarization radiometry for measuring diffuse marine reflectance.

Special report, diffuse reflectivity of the lunar surface

NASA Technical Reports Server (NTRS)

Fastie, W. G.

1972-01-01

The far ultraviolet diffuse reflectivity of samples of lunar dust material is determined. Equipment for measuring the diffuse reflectivity of materials (e.g. paint samples) is already in existence and requires only minor modification for the proposed experiment which will include the measurement of the polarizing properties of the lunar samples. Measurements can be made as a function of both illumination angle and angle of observation.

[Characterization of kale (Brassica oberacea var acephala) under thallium stress by in situ attenuated total reflection FTIR].

PubMed

Yao, Yan; Zhang, Ping; Wang, Zhen-Chun; Chen, Yong-Heng

2009-01-01

The experiment was designed based on consumption of carbon dioxide through the photosynthesis of Brassica oberacea var acephala leaf, and the photosynthesis of kale leaf under thallium stress was investigated by in situ attenuated total reflection FTIR (in situ ATR-FTIR). The ATR-FTIR showed that the absorption peaks of leaves had no obvious difference between plants growing in thallium stress soil and plants growing in non-thallium pollution soil, and the strong peaks at 3,380 cm(-1) could be assigned to the absorption of water, carbohydrate, protein or amide; the strong peaks at 2,916 and 2,850 cm(-1) assigned to the absorption of carbohydrate or aliphatic compound; the peaks at 1,640 cm(-1) assigned to the absorption of water. However, as detected by the in situ ATR-FTIR, the double peaks (negative peaks) at 2,360 and 2,340 cm(-1) that are assigned to the absorption of CO2 appeared and became high gradually. It was showed that kale was carrying photosynthesis. At the same time, the carbon dioxide consumption speed of leaf under thallium stress was obviously larger than that of the blank It was expressed that photosynthesis under thallium stress was stronger than the blank All these represented that kale had certain tolerance to the heavy metal thallium. Meanwhile, the carbon dioxide consumption of grown-up leaf was more than that of young leaf whether or not under thallium stress. It was also indicated that the intensity of photosynthesis in grown-up leaf is higher than that in young leaf.

Potential Second-Harmonic Ghost Bands in Fourier Transform Infrared (FT-IR) Difference Spectroscopy of Proteins.

PubMed

Ito, Shota; Kandori, Hideki; Lorenz-Fonfria, Victor A

2018-06-01

Fourier transform infrared (FT-IR) difference absorption spectroscopy is a common method for studying the structural and dynamical aspects behind protein function. In particular, the 2800-1800 cm -1 spectral range has been used to obtain information about internal (deuterated) water molecules, as well as site-specific details about cysteine residues and chemically modified and artificial amino acids. Here, we report on the presence of ghost bands in cryogenic light-induced FT-IR difference spectra of the protein bacteriorhodopsin. The presence of these ghost bands can be particularly problematic in the 2800-1900 cm -1 region, showing intensities similar to O-D vibrations from water molecules. We demonstrate that they arise from second harmonics from genuine chromophore bands located in the 1400-850 cm -1 region, generated by double-modulation artifacts caused from reflections of the IR beam at the sample and at the cryostat windows back to the interferometer (inter-reflections). The second-harmonic ghost bands can be physically removed by placing an optical filter of suitable cutoff in the beam path, but at the cost of losing part of the multiplexing advantage of FT-IR spectroscopy. We explored alternatives to the use of optical filters. Tilting the cryostat windows was effective in reducing the intensity of the second harmonic artifacts but tilting the sample windows was not, presumably by their close proximity to the focal point of the IR beam. We also introduce a simple numerical post-processing approach that can partially, but not fully, correct for second-harmonic ghost bands in FT-IR difference spectra.

Changes in Liver Cell DNA Methylation Status in Diabetic Mice Affect Its FT-IR Characteristics

PubMed Central

Vidal, Benedicto de Campos; Ghiraldini, Flávia Gerelli; Mello, Maria Luiza S.

2014-01-01

Background Lower levels of cytosine methylation have been found in the liver cell DNA from non-obese diabetic (NOD) mice under hyperglycemic conditions. Because the Fourier transform-infrared (FT-IR) profiles of dry DNA samples are differently affected by DNA base composition, single-stranded form and histone binding, it is expected that the methylation status in the DNA could also affect its FT-IR profile. Methodology/Principal Findings The DNA FT-IR signatures obtained from the liver cell nuclei of hyperglycemic and normoglycemic NOD mice of the same age were compared. Dried DNA samples were examined in an IR microspectroscope equipped with an all-reflecting objective (ARO) and adequate software. Conclusions/Significance Changes in DNA cytosine methylation levels induced by hyperglycemia in mouse liver cells produced changes in the respective DNA FT-IR profiles, revealing modifications to the vibrational intensities and frequencies of several chemical markers, including νas –CH3 stretching vibrations in the 5-methylcytosine methyl group. A smaller band area reflecting lower energy absorbed in the DNA was found in the hyperglycemic mice and assumed to be related to the lower levels of –CH3 groups. Other spectral differences were found at 1700–1500 cm−1 and in the fingerprint region, and a slight change in the DNA conformation at the lower DNA methylation levels was suggested for the hyperglycemic mice. The changes that affect cytosine methylation levels certainly affect the DNA-protein interactions and, consequently, gene expression in liver cells from the hyperglycemic NOD mice. PMID:25019512

Advanced FTIR technology for the chemical characterization of product wafers

NASA Astrophysics Data System (ADS)

Rosenthal, P. A.; Bosch-Charpenay, S.; Xu, J.; Yakovlev, V.; Solomon, P. R.

2001-01-01

Advances in chemically sensitive diagnostic techniques are needed for the characterization of compositionally variable materials such as chemically amplified resists, low-k dielectrics and BPSG films on product wafers. In this context, Fourier Transform Infrared (FTIR) reflectance spectroscopy is emerging as a preferred technique to characterize film chemistry and composition, due to its non-destructive nature and excellent sensitivity to molecular bonds and free carriers. While FTIR has been widely used in R&D environments, its application to mainstream production metrology and process monitoring on product wafers has historically been limited. These limitations have been eliminated in a series of recent FTIR technology advances, which include the use of 1) new sampling optics, which suppress artifact backside reflections and 2) comprehensive model-based analysis. With these recent improvements, it is now possible to characterize films on standard single-side polished product wafers with much simpler training wafer sets and machine-independent calibrations. In this new approach, the chemistry of the films is tracked via the measured infrared optical constants as opposed to conventional absorbance measurements. The extracted spectral optical constants can then be reduced to a limited set of parameters for process control. This paper describes the application of this new FTIR methodology to the characterization of 1) DUV photoresists after various processing steps, 2) low-k materials of different types and after various curing conditions, and 3) doped glass BPSG films of various concentration and, for the first time, widely different thicknesses. Such measurements can be used for improved process control on actual product wafers.

Preparation, characterization, dielectric properties and diffusion studies of styrene butadiene rubber (SBR)/manganous tungstate (MnWO4) nanocomposites

NASA Astrophysics Data System (ADS)

Jasna, V. C.; Ramesan, M. T.

2017-06-01

Nanocomposites based on SBR with different content of manganous tungstate nanoparticles were prepared and characterized by FTIR, UV-visible spectroscopy, XRD, SEM, TGA, DSC and impedance analysis. The interaction between nanoparticles and the elastomer was clear from the shift in peaks of UV and FTIR. XRD and SEM analysis showed the uniform arrangement of nanoparticles in SBR matrix. Glass transition temperature, thermal stability and dielectric properties of composites were enhanced by the addition of nanoparticles. Sorption studies of nanocomposites were done in aromatic solvents at different temperature. Sorption data obtained were used to estimate the thermodynamic properties.

Microsponges based novel drug delivery system for augmented arthritis therapy

PubMed Central

Osmani, Riyaz Ali M.; Aloorkar, Nagesh H.; Ingale, Dipti J.; Kulkarni, Parthasarathi K.; Hani, Umme; Bhosale, Rohit R.; Jayachandra Dev, Dandasi

2015-01-01

The motive behind present work was to formulate and evaluate gel containing microsponges of diclofenac diethylamine to provide prolonged release for proficient arthritis therapy. Quasi-emulsion solvent diffusion method was implied using Eudragit RS-100 and microsponges with varied drug–polymer ratios were prepared. For the sake of optimization, diverse factors affecting microparticles physical properties were too investigated. Microsponges were characterized by SEM, DSC, FT-IR, XRPD and particle size analysis, and evaluated for morphology, drug loading, in vitro drug release and ex vivo diffusion as well. There were no chemical interactions between drug and polymers used as revealed by compatibility studies outcomes. The drug polymer ratio reflected notable effect on drug content, encapsulation efficiency and particle size. SEM results revealed spherical microsponges with porous surface, and had 7.21 μm mean particle size. The microsponges were then incorporated in gel; which exhibited viscous modulus along with pseudoplastic behavior. In vitro drug release results depicted that microsponges with 1:2 drug–polymer ratio were more efficient to give extended drug release of 75.88% at the end of 8 h; while conventional formulation get exhausted incredibly earlier by releasing 81.11% drug at the end of 4 h only. Thus the formulated microsponge-based gel of diclofenac diethylamine would be a promising alternative to conventional therapy for safer and efficient treatment of arthritis and musculoskeletal disorders. PMID:26594124

Microsponges based novel drug delivery system for augmented arthritis therapy.

PubMed

Osmani, Riyaz Ali M; Aloorkar, Nagesh H; Ingale, Dipti J; Kulkarni, Parthasarathi K; Hani, Umme; Bhosale, Rohit R; Jayachandra Dev, Dandasi

2015-10-01

The motive behind present work was to formulate and evaluate gel containing microsponges of diclofenac diethylamine to provide prolonged release for proficient arthritis therapy. Quasi-emulsion solvent diffusion method was implied using Eudragit RS-100 and microsponges with varied drug-polymer ratios were prepared. For the sake of optimization, diverse factors affecting microparticles physical properties were too investigated. Microsponges were characterized by SEM, DSC, FT-IR, XRPD and particle size analysis, and evaluated for morphology, drug loading, in vitro drug release and ex vivo diffusion as well. There were no chemical interactions between drug and polymers used as revealed by compatibility studies outcomes. The drug polymer ratio reflected notable effect on drug content, encapsulation efficiency and particle size. SEM results revealed spherical microsponges with porous surface, and had 7.21 μm mean particle size. The microsponges were then incorporated in gel; which exhibited viscous modulus along with pseudoplastic behavior. In vitro drug release results depicted that microsponges with 1:2 drug-polymer ratio were more efficient to give extended drug release of 75.88% at the end of 8 h; while conventional formulation get exhausted incredibly earlier by releasing 81.11% drug at the end of 4 h only. Thus the formulated microsponge-based gel of diclofenac diethylamine would be a promising alternative to conventional therapy for safer and efficient treatment of arthritis and musculoskeletal disorders.

Attenuated total reflectance FT-IR imaging and quantitative energy dispersive-electron probe X-ray microanalysis techniques for single particle analysis of atmospheric aerosol particles.

PubMed

Ryu, JiYeon; Ro, Chul-Un

2009-08-15

This work demonstrates the practical applicability of the combined use of attenuated total reflectance (ATR) FT-IR imaging and low-Z particle electron probe X-ray microanalysis (EPMA) techniques for the characterization of individual aerosol particles. These two single particle analytical techniques provide complementary information on the physicochemical characteristics of the same individual particles, that is, the low-Z particle EPMA for the information on the morphology and elemental concentration and the ATR-FT-IR imaging on the functional group, molecular species, and crystal structure. It was confirmed that the ATR-FT-IR imaging technique can provide sufficient FT-IR absorption signals to perform molecular speciation of individual particles of micrometer size when applied to artificially generated aerosol particles such as ascorbic acid and NaNO(3) aerosols. An exemplar indoor atmospheric aerosol sample was investigated to demonstrate the practical feasibility of the combined application of ATR-FT-IR imaging and low-Z particle EPMA techniques for the characterization of individual airborne particles.

Characterization of Printing Inks Using DART-Q-TOF-MS and Attenuated Total Reflectance (ATR) FTIR.

PubMed

Williamson, Rhett; Raeva, Anna; Almirall, Jose R

2016-05-01

The rise in improved and widely accessible printing technology has resulted in an interest to develop rapid and minimally destructive chemical analytical techniques that can characterize printing inks for forensic document analysis. Chemical characterization of printing inks allows for both discrimination of inks originating from different sources and the association of inks originating from the same source. Direct analysis in real-time mass spectrometry (DART-MS) and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) were used in tandem to analyze four different classes of printing inks: inkjets, toners, offset, and intaglio. A total of 319 samples or ~ 80 samples from each class were analyzed directly on a paper substrate using the two methods. DART-MS was found to characterize the semi-volatile polymeric vehicle components, while ATR-FTIR provided chemical information associated with the bulk components of these inks. Complimentary data results in improved discrimination when both techniques are used in succession resulting in >96% discrimination for all toners, 95% for all inkjets, >92% for all offset, and >54% for all intaglio inks. © 2016 American Academy of Forensic Sciences.

Changes in Attenuated Total Reflection Fourier Transform Infrared Spectra as Blood Dries Out.

PubMed

Zhang, Yinming; Wang, Qi; Li, Bing; Wang, Zhijun; Li, Chengzhi; Yao, Yao; Huang, Ping; Wang, Zhenyuan

2017-05-01

The time since deposition (TSD) of a bloodstain is a valuable piece of evidence for forensic scientists to determine the time at which a crime took place. The objective of this study was to determine whether attenuated total reflection (ATR) Fourier transform infrared (FTIR) spectroscopy could be used to estimate the TSD of a bloodstain in a relatively early period (from 0 min to the time required for the bloodstain to dry out). For this purpose, we used ATR-FTIR to study the variation in absorbance at certain wavelengths as rat and human blood sample dried out. The absorbance at 3308/cm (A3308) was found to have a close correlation with the TSD during this time period, and the changes in A3308 during the drying of rat and human blood drops under the same controlled conditions showed similar results. The current study indicates that ATR-FTIR spectroscopy has potential as a tool for estimating TSD at early time periods of blood deposition. © 2016 American Academy of Forensic Sciences.

[Application of BaSO4 diffuser plate in 250-400 nm spectral radiance calibration].

PubMed

Jia, Hui; Li, Fu-tian

2004-01-01

Sprayed BaSO4 diffuser plate is the most Lambertian surface actually used in spectral radiance calibration known by now. Its hemispheric reflectance and Bi-directional Reflectance Distribution Functions (BRDF) were measured in the experiment. Its diffuse characteristics were compared with Lambertian surface. In order to calibrate spectral radiance more accurately, the small variation of diffuser's BRDF with scattered angles and the nonuniformity of spectral irradiance on diffuser surface illuminated by the standard lamp should be considered. By integrating the radiation flux reflected by the element area and that entering the entrance slit within the viewing area of spectrometer, the measured spectral radiance can be calculated. Furthermore, the spectral radiance of Lambertian surface whose BRDF was derived from hemispheric reflectance was compared with that from the average of the measured BRDF.

Secondary cell wall development in cotton fibers as examined with attenuated total reflection Fourier transform infrared spectroscopy

USDA-ARS?s Scientific Manuscript database

Cotton fibers harvested at 18, 20, 24, 28, 32, 36 and 40 days after flowering were examined using attenuated total reflection Fourier transform-infrared (ATR FT-IR) spectroscopy. The selected harvesting points coincide with secondary cell wall (SCW) development in the fibers. Progressive but moderat...

Reflectance Experiment Laboratory (RELAB) Description and User's Manual

NASA Technical Reports Server (NTRS)

Pieters, Carle M.; Hiroi, Takahiro; Pratt, Steve F.; Patterson, Bill

2004-01-01

Spectroscopic data acquired in the laboratory provide the interpretive foundation upon which compositional information about unexplored or unsampled planetary surfaces is derived from remotely obtained reflectance spectra. The RELAB is supported by NASA as a multi-user spectroscopy facility, and laboratory time can be made available at no charge to investigators who are in funded NASA programs. RELAB has two operational spectrometers available to NASA scientists: 1) a near- ultraviolet, visible, and near-infrared bidirectional spectrometer and 2) a near- and mid- infrared FT-IR spectrometer. The overall purpose of the design and operation of the RELAB bidirectional spectrometer is to obtain high precision, high spectral resolution, bidirectional reflectance spectra of earth and planetary materials. One of the key elements of its design is the ability to measure samples using viewing geometries specified by the user. This allows investigators to simulate, under laboratory conditions, reflectance spectra obtained remotely (i.e., with spaceborne, telescopic, and airborne systems) as well as to investigate geometry dependent reflectance properties of geologic materials. The Nicolet 740 FT-IR spectrometer currently operates in reflectance mode from 0.9 to 25 Fm. Use and scheduling of the RELAB is monitored by a 4-member advisory committee. NASA investigators should direct inquiries to the Science Manager or RELAB Operator.

Diffuse and specular characteristics of leaf reflectance

NASA Technical Reports Server (NTRS)

Grant, Lois

1987-01-01

In this paper, the evolution of current understanding of the mechanisms of leaf reflectance is reviewed. The use of measurements of polarized reflectance to separate leaf reflectance into diffuse and specular components is discussed. A section on the factors influencing leaf reflectance - leaf structure and physiological disturbances - is included along with discussion on the manner in which these influences are manifested.

Modeling Suomi-NPP VIIRS Solar Diffuser Degradation due to Space Radiation

NASA Astrophysics Data System (ADS)

Shao, X.; Cao, C.

2014-12-01

The Visible Infrared Imaging Radiometer Suite (VIIRS) onboard Suomi-NPP uses a solar diffuser (SD) as on-board radiometric calibrator for the reflective solar band (RSB) calibration. Solar diffuser is made of Spectralon (one type of fluoropolymer) and was chosen because of its controlled reflectance in the VIS-NIR-SWIR region and its near-Lambertian reflectance profile. Spectralon is known to degrade in reflectance at the blue end of the spectrum due to exposure to space radiations such as solar UV radiation and energetic protons. These space radiations can modify the Spectralon surface through breaking C-C and C-F bonds and scissioning or cross linking the polymer, which causes the surface roughness and degrades its reflectance. VIIRS uses a SDSM (Solar Diffuser Stability Monitor) to monitor the change in the Solar Diffuser reflectance in the 0.4 - 0.94 um wavelength range and provide a correction to the calibration constants. The H factor derived from SDSM reveals that reflectance of 0.4 to 0.6um channels of VIIRS degrades faster than the reflectance of longer wavelength RSB channels. A model is developed to derive characteristic parameters such as mean SD surface roughness height and autocovariance length of SD surface roughness from the long term spectral degradation of SD reflectance as monitored by SDSM. These two parameters are trended to assess development of surface roughness of the SD over the operation period of VIIRS.

Contamination and UV ageing of diffuser targets used in satellite inflight and ground reference test site calibrations

NASA Astrophysics Data System (ADS)

Vaskuri, Anna; Greenwell, Claire; Hessey, Isabel; Tompkins, Jordan; Woolliams, Emma

2018-02-01

Diffuser reflectance targets are key components in in-orbit calibrations and for verifying ground reference test sites. In this work, Spectralon, Diffusil, and Heraeus diffusers were exposed to exhaust gases and ultraviolet (UV) radiation in the ambient air conditions and their degradations were monitored by measuring changes in spectral reflectances. Spectralon is a state-of-the-art diffuser made of polytetrafluoroethylene, and Diffusil and Heraeus diffusers are made of fused silica with gas bubbles inside. Based on the contamination tests, Spectralon degrades faster than fused silica diffusers. For the samples exposed to contamination for 20 minutes, the 250 nm - 400 nm total diffuse spectral reflectance of Spectralon degraded 3-5 times more when exposed to petrol-like emission and 16-23 times more when exposed to diesel-like emission, compared with Diffusil. When the reflectance changes of Spectralon were compared with those of Heraeus, Spectralon degraded 3-4 times more when exposed to petrol-like emission for 20 minutes and 5-7 times more when exposed to diesel-like emission for 7.5 minutes. When the samples contaminated were exposed to UV radiation in the ambient air, their reflectance gradually restored back to the original level. In conclusion, fused silica diffusers are more resistant to hydrocarbon contaminants present in ground reference test sites, and thus more stable under UV radiation in the air.

In vivo assessment of liver fibrosis using diffuse reflectance and fluorescence spectroscopy: a proof of concept.

PubMed

Fabila, Diego; de la Rosa, José Manuel; Stolik, Suren; Moreno, Edgard; Suárez-Álvarez, Karina; López-Navarrete, Giuliana; Guzmán, Carolina; Aguirre-García, Jesús; Acevedo-García, Christian; Kershenobich, David; Escobedo, Galileo

2012-12-01

A novel application of diffuse reflectance and fluorescence spectroscopy in the assessment of liver fibrosis is here reported. To induce different stages of liver fibrosis, a sufficient number of male Wistar rats were differentially exposed to chronic administration with carbon tetrachloride. Then, diffuse reflectance and fluorescence spectra were in vivo measured from the liver surface of each animal by a minimal invasive laparoscopic procedure. The liver fibrosis degree was conventionally determined by means of histological examination using the Mason's Trichrome stain, accompanied by hepatic expression of α-sma, and evaluation of the ALT/AST serum levels. The liver from rats exhibiting higher grades of fibrosis showed a significant increase in diffuse reflectance and fluorescence intensity when compared with control animals. At 365 nm, the diffuse reflectance spectrum exhibited an increase of 4 and 3-fold in mild and advanced fibrotic rats, respectively, when compared to the control group. Similarly, the fluorescence emission at 493 nm was 2-fold higher in fibrotic animals than in controls. By using fluorescence intensity, discrimination algorithms indicated 73% sensitivity and 94% specificity for recognition of hepatic fibrosis, while for diffuse reflectance, these values increased up to 85% and 100%, respectively. Taking into consideration there is a special need for developing new diagnostic approaches focused on detecting different stages of liver fibrosis with minimal invasiveness, these results suggest that diffuse reflectance and fluorescence spectroscopy could be worthy of further exploration in patients with liver disease. Copyright © 2012 Elsevier B.V. All rights reserved.

Application of FTIR spectroscopy to the characterization of archeological wood.

PubMed

Traoré, Mohamed; Kaal, Joeri; Martínez Cortizas, Antonio

2016-01-15

Two archeological wood samples were studied by attenuated total reflectance Fourier transform infrared (FTIR-ATR) spectroscopy. They originate from a shipwreck in Ribadeo Bay in the northwest of Spain and from a beam wood of an old nave of the Cathedral of Segovia in the central Spain. Principal component analysis was applied to the transposed data matrix (samples as columns and spectral bands as rows) of 43 recorded spectra (18 in the shipwreck and 25 in the beam wood). The results showed differences between the two samples, with a larger proportion of carbohydrates and smaller proportion of lignin in the beam than in the shipwreck wood. Within the beam wood, lignin content was significantly lower in the recent than the old tree rings (P=0.005). These variations can be attributed to species differences between the two woods (oak and pine respectively), with a mixture of guaiacyl and syringyl in hardwood lignin, whereas softwood lignin consists almost exclusively of guaiacyl moieties. The influence of environmental conditions on the FTIR fingerprint was probably reflected by enhanced oxidation of lignin in aerated conditions (beam wood) and hydrolysis of carbohydrates in submerged-anoxic conditions (shipwreck wood). Molecular characterization by analytical pyrolysis of selected samples from each wood type confirmed the interpretation of the mechanisms behind the variability in wood composition obtained by the FTIR-ATR. Copyright © 2015 Elsevier B.V. All rights reserved.

Application of FTIR spectroscopy to the characterization of archeological wood

NASA Astrophysics Data System (ADS)

Traoré, Mohamed; Kaal, Joeri; Martínez Cortizas, Antonio

2016-01-01

Two archeological wood samples were studied by attenuated total reflectance Fourier transform infrared (FTIR-ATR) spectroscopy. They originate from a shipwreck in Ribadeo Bay in the northwest of Spain and from a beam wood of an old nave of the Cathedral of Segovia in the central Spain. Principal component analysis was applied to the transposed data matrix (samples as columns and spectral bands as rows) of 43 recorded spectra (18 in the shipwreck and 25 in the beam wood). The results showed differences between the two samples, with a larger proportion of carbohydrates and smaller proportion of lignin in the beam than in the shipwreck wood. Within the beam wood, lignin content was significantly lower in the recent than the old tree rings (P = 0.005). These variations can be attributed to species differences between the two woods (oak and pine respectively), with a mixture of guaiacyl and syringyl in hardwood lignin, whereas softwood lignin consists almost exclusively of guaiacyl moieties. The influence of environmental conditions on the FTIR fingerprint was probably reflected by enhanced oxidation of lignin in aerated conditions (beam wood) and hydrolysis of carbohydrates in submerged-anoxic conditions (shipwreck wood). Molecular characterization by analytical pyrolysis of selected samples from each wood type confirmed the interpretation of the mechanisms behind the variability in wood composition obtained by the FTIR-ATR.

Characterization and identification of microorganisms by FT-IR microspectrometry

NASA Astrophysics Data System (ADS)

Ngo-Thi, N. A.; Kirschner, C.; Naumann, D.

2003-12-01

We report on a novel FT-IR approach for microbial characterization/identification based on a light microscope coupled to an infrared spectrometer which offers the possibility to acquire IR-spectra of microcolonies containing only few hundred cells. Microcolony samples suitable for FT-IR microspectroscopic measurements were obtained by a replica technique with a stamping device that transfers spatially accurate cells of microcolonies growing on solid culture plates to a special, IR-transparent or reflecting stamping plate. High quality spectra could be recorded either by applying the transmission/absorbance or the reflectance/absorbance mode of the infrared microscope. Signal to noise ratios higher than 1000 were obtained for microcolonies as small as 40 μm in diameter. Reproducibility levels were established that allowed species and strain identification. The differentiation and classification capacity of the FT-IR microscopic technique was tested for different selected microorganisms. Cluster and factor analysis methods were used to evaluate the complex spectral data. Excellent discrimination between bacteria and yeasts, and at the same time Gram-negative and Gram-positive bacterial strains was obtained. Twenty-two selected strains of different species within the genus Staphylococcus were repetitively measured and could be grouped into correct species cluster. Moreover, the results indicated that the method allows also identifications at the subspecies level. Additionally, the new approach allowed spectral mapping analysis of single colonies which provided spatially resolved characterization of growth heterogeneity within complex microbial populations such as colonies.

The angular distribution of diffusely backscattered light

NASA Astrophysics Data System (ADS)

Vera, M. U.; Durian, D. J.

1997-03-01

The diffusion approximation predicts the angular distribution of light diffusely transmitted through an opaque slab to depend only on boundary reflectivity, independent of scattering anisotropy, and this has been verified by experiment(M.U. Vera and D.J. Durian, Phys. Rev. E 53) 3215 (1996). Here, by contrast, we demonstrate that the angular distribution of diffusely backscattered light depends on scattering anisotropy as well as boundary reflectivity. To model this observation scattering anisotropy is added to the diffusion approximation by a discontinuity in the photon concentration at the source point that is proportional to the average cosine of the scattering angle. We compare the resulting predictions with random walk simulations and with measurements of diffusely backscattered intensity versus angle for glass frits and aqueous suspensions of polystyrene spheres held in air or immersed in a water bath. Increasing anisotropy and boundary reflectivity each tend to flatten the predicted distributions, and for different combinations of anisotropy and reflectivity the agreement between data and predictions ranges from qualitatively to quantitatively good.

Design and evaluation of an imaging spectrophotometer incorporating a uniform light source.

PubMed

Noble, S D; Brown, R B; Crowe, T G

2012-03-01

Accounting for light that is diffusely scattered from a surface is one of the practical challenges in reflectance measurement. Integrating spheres are commonly used for this purpose in point measurements of reflectance and transmittance. This solution is not directly applicable to a spectral imaging application for which diffuse reflectance measurements are desired. In this paper, an imaging spectrophotometer design is presented that employs a uniform light source to provide diffuse illumination. This creates the inverse measurement geometry to the directional illumination/diffuse reflectance mode typically used for point measurements. The final system had a spectral range between 400 and 1000 nm with a 5.2 nm resolution, a field of view of approximately 0.5 m by 0.5 m, and millimeter spatial resolution. Testing results indicate illumination uniformity typically exceeding 95% and reflectance precision better than 1.7%.

Including scattering within the room acoustics diffusion model: An analytical approach.

PubMed

Foy, Cédric; Picaut, Judicaël; Valeau, Vincent

2016-10-01

Over the last 20 years, a statistical acoustic model has been developed to predict the reverberant sound field in buildings. This model is based on the assumption that the propagation of the reverberant sound field follows a transport process and, as an approximation, a diffusion process that can be easily solved numerically. This model, initially designed and validated for rooms with purely diffuse reflections, is extended in the present study to mixed reflections, with a proportion of specular and diffuse reflections defined by a scattering coefficient. The proposed mathematical developments lead to an analytical expression of the diffusion constant that is a function of the scattering coefficient, but also on the absorption coefficient of the walls. The results obtained with this extended diffusion model are then compared with the classical diffusion model, as well as with a sound particles tracing approach considering mixed wall reflections. The comparison shows a good agreement for long rooms with uniform low absorption (α = 0.01) and uniform scattering. For a larger absorption (α = 0.1), the agreement is moderate, due to the fact that the proposed expression of the diffusion coefficient does not vary spatially. In addition, the proposed model is for now limited to uniform diffusion and should be extended in the future to more general cases.

Structural and diffusion characterizations of steam-stable mesostructured zeolitic UL-ZSM-5 materials.

PubMed

Vinh-Thang, Hoang; Huang, Qinglin; Ungureanu, Adrian; Eić, Mladen; Trong-On, Do; Kaliaguine, Serge

2006-05-09

A series of mesoporous UL-ZSM-5 materials (Si/Al = 50) with different micro- and mesoporosity as well as crystallinity was prepared following the procedure proposed in one of our recent studies (Trong-On, D.; Kaliaguine, S. Angew. Chem. Int. Ed. 2001, 40, 3248-3251. Trong-On, D.; Kaliaguine, S. U.S. Patent 6,669,924, B1, 2003). These materials have zeolitic structure in the form of nanoparticles intergrown in the walls of the amorphous wormhole-like aluminosilicate mesopores of Al-Meso-50, which was used as a precursor in the synthesis. The structure, crystallinity, and textural properties of the synthesized materials, as well as a reference ZSM-5 zeolite sample, were determined by X-ray diffraction (XRD), transmission electron microscopy (TEM)/scanning electron microscoy (SEM) analyses, Fourier transform infrared spectroscopy (FTIR), 27Al magic angle spinning (MAS) nuclear magnetic resonance (NMR), and nitrogen adsorption/desorption techniques. The acid properties were examined by FTIR of adsorbed pyridine. UL-ZSM-5 materials were shown to be highly hydrothermally stable. The diffusion of two C7 hydrocarbons, i.e., n-heptane and toluene, in four UL-ZSM-5 materials with different microporosities, related acidities, and crystallinities were investigated using the zero-length column (ZLC) method. Furthermore, the wormhole-like mesostructured aluminosilicate precursor (Al-Meso-50) and a reference MFI zeolite sample were also investigated using the same technique. A theoretical model considering a combination of mesopore diffusion (with surface slip in the main channels) with an activated, mainly surface diffusion mechanism in the intrawall biporous structure, was proposed and employed to interpret the experimental ZLC results. A classical Knudsen type of diffusion was replaced by an activated surface slip type of diffusion mechanism in the mesopores. The transport of n-heptane in UL-ZSM-5 materials was found to be mainly controlled by mesopore diffusion in the main-channel structure, while that of toluene was dominated by the intrawall diffusion process. Diffusion activation energies of n-heptane are about 2 times higher in comparison to toluene, which has a larger kinetic diameter. The main mesopore channel structure seems to appreciably contribute to the overall mass transport. Furthermore, the effect of hydrothermal treatment (20% steam at 800 degrees C for 24 h) on the diffusion of these two sorbates on UL-ZSM-5 materials was also evaluated.

Characterizing the reflectivity of handheld display devices.

PubMed

Liu, Peter; Badano, Aldo

2014-08-01

With increased use of handheld and tablet display devices for viewing medical images, methods for consistently measuring reflectivity of the devices are needed. In this note, the authors report on the characterization of diffuse reflections for handheld display devices including mobile phones and tablets using methods recommended by the American Association of Physicists in Medicine Task Group 18 (TG18). The authors modified the diffuse reflectance coefficient measurement method outlined in the TG18 report. The authors measured seven handheld display devices (two phones and five tablets) and three workstation displays. The device was attached to a black panel with Velcro. To study the effect of the back surface on the diffuse reflectance coefficient, the authors created Styrofoam masks with different size square openings and placed it in front of the device. Overall, for each display device, measurements of illuminance and reflected luminance on the display screen were taken. The authors measured with no mask, with masks of varying size, and with display-size masks, and calculated the corresponding diffuse reflectance coefficient. For all handhelds, the diffuse reflectance coefficient measured with no back panel were lower than measurements performed with a mask. The authors found an overall increase in reflectivity as the size of the mask decreases. For workstations displays, diffuse reflectance coefficients were higher when no back panel was used, and higher than with masks. In all cases, as luminance increased, illuminance increased, but not at the same rate. Since the size of handheld displays is smaller than that of workstation devices, the TG18 method suffers from a dependency on illumination condition. The authors show that the diffuse reflection coefficients can vary depending on the nature of the back surface of the illuminating box. The variability in the diffuse coefficient can be as large as 20% depending on the size of the mask. For all measurements, both luminance and illuminance increased as the size of the display window decreased. The TG18 method does not account for this variability. The authors conclude that the method requires a definitive description of the back panel used in the light source setup. The methods described in the TG18 document may need to be improved to provide consistent comparisons of desktop monitors, phones, and tablets.

Tissue differentiation by diffuse reflectance spectroscopy for automated oral and maxillofacial laser surgery: ex vivo pilot study

NASA Astrophysics Data System (ADS)

Zam, Azhar; Stelzle, Florian; Tangermann-Gerk, Katja; Adler, Werner; Nkenke, Emeka; Schmidt, Michael; Douplik, Alexandre

2010-02-01

Remote laser surgery lacks of haptic feedback during the laser ablation of tissue. Hence, there is a risk of iatrogenic damage or destruction of anatomical structures like nerves or salivary glands. Diffuse reflectance spectroscopy provides a straightforward and simple approach for optical tissue differentiation. We measured diffuse reflectance from seven various tissue types ex vivo. We applied Linear Discriminant Analysis (LDA) to differentiate the seven tissue types and computed the area under the ROC curve (AUC). Special emphasis was taken on the identification of nerves and salivary glands as the most crucial tissue for maxillofacial surgery. The results show a promise for differentiating tissues as guidance for oral and maxillofacial laser surgery by means of diffuse reflectance.

Determining biological tissue optical properties via integrating sphere spatial measurements

DOEpatents

Baba, Justin S [Knoxville, TN; Letzen, Brian S [Coral Springs, FL

2011-01-11

An optical sample is mounted on a spatial-acquisition apparatus that is placed in or on an enclosure. An incident beam is irradiated on a surface of the sample and the specular reflection is allowed to escape from the enclosure through an opening. The spatial-acquisition apparatus is provided with a light-occluding slider that moves in front of the sample to block portions of diffuse scattering from the sample. As the light-occluding slider moves across the front of the sample, diffuse light scattered into the area of the backside of the light-occluding slider is absorbed by back side surface of the light-occluding slider. By measuring a baseline diffuse reflectance without a light-occluding slider and subtracting measured diffuse reflectance with a light-occluding slider therefrom, diffuse reflectance for the area blocked by the light-occluding slider can be calculated.

SeaWiFS long-term solar diffuser reflectance and sensor noise analyses.

PubMed

Eplee, Robert E; Patt, Frederick S; Barnes, Robert A; McClain, Charles R

2007-02-10

The NASA Ocean Biology Processing Group's Calibration and Validation (Cal/Val) team has undertaken an analysis of the mission-long Sea-Viewing Wide Field-of-View Sensor (SeaWiFS) solar calibration time series to assess the long-term degradation of the solar diffuser reflectance over 9 years on orbit. The SeaWiFS diffuser is an aluminum plate coated with YB71 paint. The bidirectional reflectance distribution function of the diffuser was not fully characterized before launch, so the Cal/Val team has implemented a regression of the solar incidence angles and the drift in the node of the satellite's orbit against the diffuser time series to correct for solar incidence angle effects. An exponential function with a time constant of 200 days yields the best fit to the diffuser time series. The decrease in diffuser reflectance over the mission is wavelength dependent, ranging from 9% in the blue (412 nm) to 5% in the red and near infrared (670-865 nm). The Cal/Val team has developed a methodology for computing the signal-to-noise ratio (SNR) for SeaWiFS on orbit from the diffuser time series corrected for both the varying solar incidence angles and the diffuser reflectance degradation. A sensor noise model is used to compare on-orbit SNRs computed for radiances reflected from the diffuser with prelaunch SNRs measured at typical radiances specified for the instrument. To within the uncertainties in the measurements, the SNRs for SeaWiFS have not changed over the mission. The on-orbit performance of the SeaWiFS solar diffuser should offer insight into the long-term on-orbit performance of solar diffusers on other instruments, such as the Moderate-Resolution Imaging Spectrometer [currently flying on the Earth Observing System (EOS) Terra and Aqua satellites], the Visible and Infrared Radiometer Suite [scheduled to fly on the NASA National Polar-orbiting Operational Environmental Satellite System (NPOESS) and NPOESS Preparatory Project (NPP) satellites] and the Advanced Baseline Imager [scheduled to fly on the National Oceanic and Atmospheric Administration Geostationary Environmental Operational Satellite Series R (GOES-R) satellites].

SeaWiFS long-term solar diffuser reflectance and sensor noise analyses

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

Eplee, Robert E. Jr.; Patt, Frederick S.; Barnes, Robert A.

The NASA Ocean Biology Processing Group's Calibration and Validation(Cal/Val) team has undertaken an analysis of the mission-long Sea-Viewing Wide Field-of-View Sensor (SeaWiFS)solar calibration time series to assess the long-term degradation of the solar diffuser reflectance over 9 years on orbit. The SeaWiFS diffuser is an aluminum plate coated with YB71 paint. The bidirectional reflectance distribution function of the diffuser was not fully characterized before launch,so the Cal/Val team has implemented a regression of the solar incidence angles and the drift in the node of the satellite's orbit against the diffuser time series to correct for solar incidence angle effects. Anmore » exponential function with a time constant of 200 days yields the best fit to the diffuser time series.The decrease in diffuser reflectance over the mission is wavelength dependent,ranging from 9% in the blue(412 nm) to 5% in the red and near infrared(670-865 nm). The Cal/Val team has developed a methodology for computing the signal-to-noise ratio (SNR) for SeaWiFS on orbit from the diffuser time series corrected for both the varying solar incidence angles and the diffuser reflectance degradation. A sensor noise model is used to compare on-orbit SNRs computed for radiances reflected from the diffuser with prelaunch SNRs measured at typical radiances specified for the instrument. To within the uncertainties in the measurements, the SNRs for SeaWiFS have not changed over the mission. The on-orbit performance of the SeaWiFS solar diffuser should offer insight into the long-term on-orbit performance of solar diffusers on other instruments, such as the Moderate-Resolution Imaging Spectrometer [currently flying on the Earth Observing System (EOS) Terra and Aqua satellites], the Visible and Infrared Radiometer Suite [scheduled to fly on the NASA National Polar-orbiting Operational Environmental Satellite System (NPOESS) and NPOESS Preparatory Project (NPP) satellites] and the Advanced Baseline Imager [scheduled to fly on the National Oceanic and Atmospheric Administration Geostationary Environmental Operational Satellite Series R (GOES-R) satellites].« less

SeaWiFS long-term solar diffuser reflectance and sensor noise analyses

NASA Astrophysics Data System (ADS)

Eplee, Robert E., Jr.; Patt, Frederick S.; Barnes, Robert A.; McClain, Charles R.

2007-02-01

The NASA Ocean Biology Processing Group's Calibration and Validation (Cal/Val) team has undertaken an analysis of the mission-long Sea-Viewing Wide Field-of-View Sensor (SeaWiFS) solar calibration time series to assess the long-term degradation of the solar diffuser reflectance over 9 years on orbit. The SeaWiFS diffuser is an aluminum plate coated with YB71 paint. The bidirectional reflectance distribution function of the diffuser was not fully characterized before launch, so the Cal/Val team has implemented a regression of the solar incidence angles and the drift in the node of the satellite's orbit against the diffuser time series to correct for solar incidence angle effects. An exponential function with a time constant of 200 days yields the best fit to the diffuser time series. The decrease in diffuser reflectance over the mission is wavelength dependent, ranging from 9% in the blue (412 nm) to 5% in the red and near infrared (670-865 nm). The Cal/Val team has developed a methodology for computing the signal-to-noise ratio (SNR) for SeaWiFS on orbit from the diffuser time series corrected for both the varying solar incidence angles and the diffuser reflectance degradation. A sensor noise model is used to compare on-orbit SNRs computed for radiances reflected from the diffuser with prelaunch SNRs measured at typical radiances specified for the instrument. To within the uncertainties in the measurements, the SNRs for SeaWiFS have not changed over the mission. The on-orbit performance of the SeaWiFS solar diffuser should offer insight into the long-term on-orbit performance of solar diffusers on other instruments, such as the Moderate-Resolution Imaging Spectrometer [currently flying on the Earth Observing System (EOS) Terra and Aqua satellites], the Visible and Infrared Radiometer Suite [scheduled to fly on the NASA National Polar-orbiting Operational Environmental Satellite System (NPOESS) and NPOESS Preparatory Project (NPP) satellites] and the Advanced Baseline Imager [scheduled to fly on the National Oceanic and Atmospheric Administration Geostationary Environmental Operational Satellite Series R (GOES-R) satellites].

Thermal Infrared Signatures and Heat Fluxes of Sea Foam

DTIC Science & Technology

2015-01-13

4 air flow 0.5 m 0.5 m MWIR LWIR FTIR Pitot tube and Temperature air diffuser 1 m EO foam IR H20 vapor analyzer Heat...verify this, we measured velocity profiles with a pitot tube over 5 water and foam surfaces spanning our range of tested wind speeds. The profiles (not

Broadband diffuse terahertz wave scattering by flexible metasurface with randomized phase distribution

PubMed Central

Zhang, Yin; Liang, Lanju; Yang, Jing; Feng, Yijun; Zhu, Bo; Zhao, Junming; Jiang, Tian; Jin, Biaobing; Liu, Weiwei

2016-01-01

Suppressing specular electromagnetic wave reflection or backward radar cross section is important and of broad interests in practical electromagnetic engineering. Here, we present a scheme to achieve broadband backward scattering reduction through diffuse terahertz wave reflection by a flexible metasurface. The diffuse scattering of terahertz wave is caused by the randomized reflection phase distribution on the metasurface, which consists of meta-particles of differently sized metallic patches arranged on top of a grounded polyimide substrate simply through a certain computer generated pseudorandom sequence. Both numerical simulations and experimental results demonstrate the ultralow specular reflection over a broad frequency band and wide angle of incidence due to the re-distribution of the incident energy into various directions. The diffuse scattering property is also polarization insensitive and can be well preserved when the flexible metasurface is conformably wrapped on a curved reflective object. The proposed design opens up a new route for specular reflection suppression, and may be applicable in stealth and other technology in the terahertz spectrum. PMID:27225031

Broadband diffuse terahertz wave scattering by flexible metasurface with randomized phase distribution.

PubMed

Zhang, Yin; Liang, Lanju; Yang, Jing; Feng, Yijun; Zhu, Bo; Zhao, Junming; Jiang, Tian; Jin, Biaobing; Liu, Weiwei

2016-05-26

Suppressing specular electromagnetic wave reflection or backward radar cross section is important and of broad interests in practical electromagnetic engineering. Here, we present a scheme to achieve broadband backward scattering reduction through diffuse terahertz wave reflection by a flexible metasurface. The diffuse scattering of terahertz wave is caused by the randomized reflection phase distribution on the metasurface, which consists of meta-particles of differently sized metallic patches arranged on top of a grounded polyimide substrate simply through a certain computer generated pseudorandom sequence. Both numerical simulations and experimental results demonstrate the ultralow specular reflection over a broad frequency band and wide angle of incidence due to the re-distribution of the incident energy into various directions. The diffuse scattering property is also polarization insensitive and can be well preserved when the flexible metasurface is conformably wrapped on a curved reflective object. The proposed design opens up a new route for specular reflection suppression, and may be applicable in stealth and other technology in the terahertz spectrum.

In-situ diagnostics for metalorganic chemical vapor deposition of yttrium barium copper oxide

NASA Astrophysics Data System (ADS)

Tripathi, Ashok Burton

A new stagnation flow MOCVD research reactor is described that is designed to serve as a testbed to develop tools for "intelligent" thin film deposition, such as in-situ sensors and diagnostics, control algorithms, and thin film growth models. The reactor is designed in particular for the deposition of epitaxial YBa2Cu3O 7-delta on MgO, although with minor modifications it would be suitable for deposition of any metal-oxide thin films. The reactor is specifically designed to permit closed-loop thermal and stoichiometric control of the film growth process. Closed-loop control of precursor flow rates is accomplished by using ultraviolet absorption spectroscopy on each precursor line. Also integrated into the design is a Fourier Transform Infrared (FTIR) spectroscopy system which collects real-time, in-situ infrared polarized reflectance spectra of the film as it grows. Numerical simulation was used extensively to optimize the fluid dynamics and heat transfer to provide uniform fluxes to the substrate. As a result, thickness uniformity across the substrate is typically within 3% from the center to the edge of the substrate. Experimental studies of thin films grown in the Y/Ba/Cu/O system have been carried out. The films have been characterized by Rutherford Backscattering Spectrometry and X-ray Diffraction. Results indicate c-axis oriented grains with pure 1:2:3 phase YBCO, good spatial uniformity, and a low degree of c-axis wobble. Experimental growth data is used in a gas phase and surface chemistry model to calculate sticking coefficients for yttrium oxide, barium oxide, and copper oxide on YBCO. In-situ FTIR and Coherent Gradient Sensing (CGS) analysis of growing films has been performed, yielding accurate substrate temperature, film thickness monitoring, and full-field, real-time curvature maps of the films. In addition, we have implemented CGS to obtain full-field in-situ images of local curvature during oxygenation and deoxygenation of YBCO films. An analysis of the oxygen diffusion is performed, and diffusivity constants are presented for a variety of temperature and film conditions.

Phosphorous-doped TiO2 nanoparticles: synthesis, characterization, and visible photocatalytic evaluation on sulfamethazine degradation.

PubMed

Mendiola-Alvarez, Sandra Yadira; Hernández-Ramírez, Ma Aracely; Guzmán-Mar, Jorge Luis; Garza-Tovar, Lorena Leticia; Hinojosa-Reyes, Laura

2018-05-24

Mesoporous phosphorous-doped TiO 2 (TP) with different wt% of P (0.5, 1.0, and 1.5) was synthetized by microwave-assisted sol-gel method. The obtained materials were characterized by XRD with cell parameters refinement approach, Raman, BET-specific surface area analysis, SEM, ICP-OES, UV-Vis with diffuse reflectance, photoluminescence, FTIR, and XPS. The photocatalytic activity under visible light was evaluated on the degradation of sulfamethazine (SMTZ) at pH 8. The characterization of the phosphorous materials (TP) showed that incorporation of P in the lattice of TiO 2 stabilizes the anatase crystalline phase, even increasing the annealing temperature. The mesoporous P-doped materials showed higher surface area and lower average crystallite size, band gap, and particle size; besides, more intense bands attributed to O-H bond were observed by FTIR analysis compared with bare TiO 2 . The P was substitutionally incorporated in the TiO 2 lattice network as P 5+ replacing Ti 4+ to form Ti-O-P bonds and additionally present as PO 4 3-  on the TiO 2 surface. All these characteristics explain the observed superior photocatalytic activity on degradation (100%) and mineralization (32%) of SMTZ under visible radiation by TP catalysts, especially for P-doped TiO 2 1.0 wt% calcined at 450 °C (TP1.0-450). Ammonium, nitrate, and sulfate ions released during the photocatalytic degradation were quantified by ion chromatography; the nitrogen and sulfur mass balance evidenced the partial mineralization of this recalcitrant molecule.

Fourier transform infrared and Raman spectroscopic characterization of homogeneous solution concentration gradients near a container wall at different temperatures

NASA Technical Reports Server (NTRS)

Loo, B. H.; Burns, D. H.; Lee, Y. G. L.; Emerson, M. T.

1991-01-01

Fourier transform infrared (FTIR) and Raman spectroscopic techniques were used to study the solution concentration gradient in succino nitrile-rich and water-rich homogeneous solutions. The spectroscopic data shows significant concentration dependency. Although FTIR-attenuated total reflectance could not yield surface spectra since the evanescent infrared wave penetrated deep into the bulk solution, it showed that water-rich clusters were decreased at higher temperatures. This result is consistent with the calorimetric results reported earlier.

Characterization of ceramic matrix composite degradation using Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Henry, Christine; Criner, Amanda Keck; Imel, Megan; King, Derek

2018-04-01

Data collected with a handheld Fourier Transform Infrared (FTIR) device is analyzed and considered as a useful method for detecting and quantifying oxidation on the surface of ceramic matrix composite (CMC) materials. Experiments examine silicon carbide (SiC) coupons, looking for changes in chemical composition before and after thermal exposure. Using mathematical, physical and statistical models for FTIR reflectance data, this research seeks to quantify any detected spectral changes as an indicator of surface oxidation on the CMC coupon.

Determination of trans Fat in Selected Fast Food Products and Hydrogenated Fats of India Using Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) Spectroscopy.

PubMed

Khan, Mohd Umar; Hassan, Mohammad Fahimul; Rauf, Abdul

2017-01-01

This paper reports the application of a simple and rapid method for the determination of trans fatty acid (TFA) content in some of the selected Indian fast food products and hydrogenated fats using Fourier transform infrared (FTIR) spectroscopy in conjunction with second derivative procedure. FTIR spectroscopy has been successfully applied to trans measurement using the absorbance bands at or near 966 cm -1 in the FTIR spectra. It was found from the analysis that TFA content of fast food product was ranging from 1.57% to 3.83% of the total fat while for hydrogenated fats, comparatively large quantity of TFA was detected in the range of 3.31% to 4.73%. Since GC-FID is most widely used method for the determination of fatty acid (FA) composition, this method was used for the sake of comparison. Value of regression coefficient was found very close to one (0.99503) with standard deviation of 0.10247 showing a good agreement between GC-FID and proposed ATR-FTIR method.

Ultra-broadband and planar sound diffuser with high uniformity of reflected intensity

NASA Astrophysics Data System (ADS)

Fan, Xu-Dong; Zhu, Yi-Fan; Liang, Bin; Yang, Jing; Yang, Jun; Cheng, Jian-Chun

2017-09-01

Schroeder diffusers, as a classical design of acoustic diffusers proposed over 40 years ago, play key roles in many practical scenarios ranging from architectural acoustics to noise control to particle manipulation. Despite the great success of conventional acoustic diffusers, it is still worth pursuing ideal acoustic diffusers that are essentially expected to produce perfect sound diffuse reflection within the unlimited bandwidth. Here, we propose a different mechanism for designing acoustic diffusers to overcome the basic limits in intensity uniformity and working bandwidth in the previous designs and demonstrate a practical implementation by acoustic metamaterials with dispersionless phase-steering capability. In stark contrast to the existing production of diffuse fields relying on random scattering of sound energy by using a specific mathematical number sequence of periodically distributed unit cells, we directly mold the reflected wavefront into the desired shape by precisely manipulating the local phases of individual subwavelength metastructures. We also benchmark our design via numerical simulation with a commercially available Schroeder diffuser, and the results verify that our proposed diffuser scatters incident acoustic energy into all directions more uniformly within an ultra-broad band regardless of the incident angle. Furthermore, our design enables further improvement of the working bandwidth just by simply downscaling each individual element. With ultra-broadband functionality and high uniformity of reflected intensity, our metamaterial-based production of the diffusive field opens a route to the design and application of acoustic diffusers and may have a significant impact on various fields such as architectural acoustics and medical ultrasound imaging/treatment.

Quantitative analysis of virgin coconut oil in cream cosmetics preparations using fourier transform infrared (FTIR) spectroscopy.

PubMed

Rohman, A; Man, Yb Che; Sismindari

2009-10-01

Today, virgin coconut oil (VCO) is becoming valuable oil and is receiving an attractive topic for researchers because of its several biological activities. In cosmetics industry, VCO is excellent material which functions as a skin moisturizer and softener. Therefore, it is important to develop a quantitative analytical method offering a fast and reliable technique. Fourier transform infrared (FTIR) spectroscopy with sample handling technique of attenuated total reflectance (ATR) can be successfully used to analyze VCO quantitatively in cream cosmetic preparations. A multivariate analysis using calibration of partial least square (PLS) model revealed the good relationship between actual value and FTIR-predicted value of VCO with coefficient of determination (R2) of 0.998.

Hazard calculations of diffuse reflected laser radiation for the SELENE program

NASA Technical Reports Server (NTRS)

Miner, Gilda A.; Babb, Phillip D.

1993-01-01

The hazards from diffuse laser light reflections off water clouds, ice clouds, and fog and from possible specular reflections off ice clouds were assessed with the American National Standards (ANSI Z136.1-1986) for the free-electron-laser parameters under consideration for the Segmented Efficient Laser Emission for Non-Nuclear Electricity (SELENE) Program. Diffuse laser reflection hazards exist for water cloud surfaces less than 722 m in altitude and ice cloud surfaces less than 850 m in altitude. Specular reflections from ice crystals in cirrus clouds are not probable; however, any specular reflection is a hazard to ground observers. The hazard to the laser operators and any ground observers during heavy fog conditions is of such significant magnitude that the laser should not be operated in fog.

Improved algorithm for estimating optical properties of food and biological materials using spatially-resolved diffuse reflectance

USDA-ARS?s Scientific Manuscript database

In this research, the inverse algorithm for estimating optical properties of food and biological materials from spatially-resolved diffuse reflectance was optimized in terms of data smoothing, normalization and spatial region of reflectance profile for curve fitting. Monte Carlo simulation was used ...

Optimally designed narrowband guided-mode resonance reflectance filters for mid-infrared spectroscopy

PubMed Central

Liu, Jui-Nung; Schulmerich, Matthew V.; Bhargava, Rohit; Cunningham, Brian T.

2011-01-01

An alternative to the well-established Fourier transform infrared (FT-IR) spectrometry, termed discrete frequency infrared (DFIR) spectrometry, has recently been proposed. This approach uses narrowband mid-infrared reflectance filters based on guided-mode resonance (GMR) in waveguide gratings, but filters designed and fabricated have not attained the spectral selectivity (≤ 32 cm−1) commonly employed for measurements of condensed matter using FT-IR spectroscopy. With the incorporation of dispersion and optical absorption of materials, we present here optimal design of double-layer surface-relief silicon nitride-based GMR filters in the mid-IR for various narrow bandwidths below 32 cm−1. Both shift of the filter resonance wavelengths arising from the dispersion effect and reduction of peak reflection efficiency and electric field enhancement due to the absorption effect show that the optical characteristics of materials must be taken into consideration rigorously for accurate design of narrowband GMR filters. By incorporating considerations for background reflections, the optimally designed GMR filters can have bandwidth narrower than the designed filter by the antireflection equivalence method based on the same index modulation magnitude, without sacrificing low sideband reflections near resonance. The reported work will enable use of GMR filters-based instrumentation for common measurements of condensed matter, including tissues and polymer samples. PMID:22109445

A non-destructive spectroscopic study of the decoration of archaeological pottery: from matt-painted bichrome ceramic sherds (southern Italy, VIII-VII B.C.) to an intact Etruscan cinerary urn

NASA Astrophysics Data System (ADS)

Bruni, Silvia; Guglielmi, Vittoria; Della Foglia, Elena; Castoldi, Marina; Bagnasco Gianni, Giovanna

2018-02-01

A study is presented based on the use of entirely non-destructive spectroscopic techniques to analyze the chemical composition of the painted surface layer of archaeological pottery. This study aims to define both the raw materials and the working technology of ancient potters. Energy-dispersive X-ray analysis, micro-Raman spectroscopy, visible and near infrared (NIR) diffuse reflection spectroscopy and external reflection Fourier-transform infrared (FTIR) spectroscopy were applied to matt-painted bichrome pottery sherds (VIII-VII century B.C.) from the site of Incoronata near Metaponto in southern Italy. Two different raw materials, ochre and iron-rich clay, were recognized for the red decoration, while the dark areas resulted to have been obtained by the so-called manganese black technique. In any case, it was demonstrated that the decoration was applied before firing, in spite of its sometimes grainy aspect that could suggest a post-firing application. For the samples with a more sophisticated decorative pattern a red/black/white polychromy was recognized, as the lighter areas correspond to an ;intentional white; obtained by the firing of a calcium-rich clay. Reflection spectroscopy in the visible-NIR and mid-IR as well as micro-Raman spectroscopy were then employed to characterize the decoration of an intact ceramic urn from the Etruscan town of Chiusi, evidencing a post-firing painting based on the use of red ochre, carbon black and lime, possibly imitating the ;fresco; technique used in wall paintings.

Properties of seismic absorption induced reflections

NASA Astrophysics Data System (ADS)

Zhao, Haixia; Gao, Jinghuai; Peng, Jigen

2018-05-01

Seismic reflections at an interface are often regarded as the variation of the acoustic impedance (product of seismic velocity and density) in a medium. In fact, they can also be generated due to the difference in absorption of the seismic energy. In this paper, we investigate the properties of such reflections. Based on the diffusive-viscous wave equation and elastic diffusive-viscous wave equation, we investigate the dependency of the reflection coefficients on frequency, and their variations with incident angles. Numerical results at a boundary due to absorption contrasts are compared with those resulted from acoustic impedance variation. It is found that, the reflection coefficients resulted from absorption depend significantly on the frequency especially at lower frequencies, but vary very slowly at small incident angles. At the higher frequencies, the reflection coefficients of diffusive-viscous wave and elastic diffusive-viscous wave are close to those of acoustic and elastic cases, respectively. On the other hand, the reflections caused by acoustic impedance variation are independent of frequency but vary distinctly with incident angles before the critical angle. We also investigate the difference between the seismograms generated in the two different media. The numerical results show that the amplitudes of these reflected waves are attenuated and their phases are shifted. However, the reflections obtained by acoustic impedance contrast, show no significant amplitude attenuation and phase shift.

[Measurements of the concentration of atmospheric CO2 based on OP/FTIR method and infrared reflecting scanning Fourier transform spectrometry].

PubMed

Wei, Ru-Yi; Zhou, Jin-Song; Zhang, Xue-Min; Yu, Tao; Gao, Xiao-Hui; Ren, Xiao-Qiang

2014-11-01

The present paper describes the observations and measurements of the infrared absorption spectra of CO2 on the Earth's surface with OP/FTIR method by employing a mid-infrared reflecting scanning Fourier transform spectrometry, which are the first results produced by the first prototype in China developed by the team of authors. This reflecting scanning Fourier transform spectrometry works in the spectral range 2 100-3 150 cm(-1) with a spectral resolution of 2 cm(-1). Method to measure the atmospheric molecules was described and mathematical proof and quantitative algorithms to retrieve molecular concentration were established. The related models were performed both by a direct method based on the Beer-Lambert Law and by a simulating-fitting method based on HITRAN database and the instrument functions. Concentrations of CO2 were retrieved by the two models. The results of observation and modeling analyses indicate that the concentrations have a distribution of 300-370 ppm, and show tendency that going with the variation of the environment they first decrease slowly and then increase rapidly during the observation period, and reached low points in the afternoon and during the sunset. The concentrations with measuring times retrieved by the direct method and by the simulating-fitting method agree with each other very well, with the correlation of all the data is up to 99.79%, and the relative error is no more than 2.00%. The precision for retrieving is relatively high. The results of this paper demonstrate that, in the field of detecting atmospheric compositions, OP/FTIR method performed by the Infrared reflecting scanning Fourier transform spectrometry is a feasible and effective technical approach, and either the direct method or the simulating-fitting method is capable of retrieving concentrations with high precision.

Intensity-Value Corrections for Integrating Sphere Measurements of Solid Samples Measured Behind Glass

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

Johnson, Timothy J.; Bernacki, Bruce E.; Redding, Rebecca L.

2014-11-01

Accurate and calibrated directional-hemispherical reflectance spectra of solids are important for both in situ and remote sensing. Many solids are in the form of powders or granules and to measure their diffuse reflectance spectra in the laboratory, it is often necessary to place the samples behind a transparent medium such as glass for the ultraviolet (UV), visible, or near-infrared spectral regions. Using both experimental methods and a simple optical model, we demonstrate that glass (fused quartz in our case) leads to artifacts in the reflectance values. We report our observations that the measured reflectance values, for both hemispherical and diffusemore » reflectance, are distorted by the additional reflections arising at the air–quartz and sample–quartz interfaces. The values are dependent on the sample reflectance and are offset in intensity in the hemispherical case, leading to measured values up to ~6% too high for a 2% reflectance surface, ~3.8% too high for 10% reflecting surfaces, approximately correct for 40–60% diffuse-reflecting surfaces, and ~1.5% too low for 99% reflecting Spectralon® surfaces. For the case of diffuse-only reflectance, the measured values are uniformly too low due to the polished glass, with differences of nearly 6% for a 99% reflecting matte surface. The deviations arise from the added reflections from the quartz surfaces, as verified by both theory and experiment, and depend on sphere design. Finally, empirical correction factors were implemented into post-processing software to redress the artifact for hemispherical and diffuse reflectance data across the 300–2300 nm range.« less

Synchrotron-based multiple-beam FTIR chemical imaging of a multi-layered polymer in transmission and reflection: towards cultural heritage applications

NASA Astrophysics Data System (ADS)

Unger, Miriam; Mattson, Eric; Schmidt Patterson, Catherine; Alavi, Zahrasadet; Carson, David; Hirschmugl, Carol J.

2013-04-01

IRENI (infrared environmental imaging) is a recently commissioned Fourier transform infrared (FTIR) chemical imaging beamline at the Synchrotron Radiation Center in Madison, WI, USA. This novel beamline extracts 320 mrad of radiation, horizontally, from one bending magnet. The optical transport separates and recombines the beam into 12 parallel collimated beams to illuminate a commercial FTIR microspectrometer (Bruker Hyperion 3000) equipped with a focal plane array detector where single pixels in the detector image a projected sample area of either 0.54×0.54 μm2 or 2×2 μm2, depending in the measurement geometry. The 12 beams are partially overlapped and defocused, similar to wide-field microscopy, homogeneously illuminating a relatively large sample area compared to single-beam arrangements. Both transmission and reflection geometries are used to examine a model cross section from a layered polymer material. The compromises for sample preparation and measurement strategies are discussed, and the chemical composition and spatial definition of the layers are distinguished in chemical images generated from data sets. Deconvolution methods that may allow more detailed data analysis are also discussed.

Development and Evaluation of Cefadroxil Drug Loaded Biopolymeric Films Based on Chitosan-Furfural Schiff Base

PubMed Central

Dixit, Ritu B.; Uplana, Rahul A.; Patel, Vishnu A.; Dixit, Bharat C.; Patel, Tarosh S.

2010-01-01

Cefadroxil drug loaded biopolymeric films of chitosan-furfural schiff base were prepared by reacting chitosan with furfural in presence of acetic acid and perchloric acid respectively for the external use. Prepared films were evaluated for their strength, swelling index, thickness, drug content, uniformity, tensile strength, percent elongation, FTIR spectral analysis and SEM. The results of in vitro diffusion studies revealed that the films exhibited enhanced drug diffusion as compared to the films prepared using untreated chitosan. The films also demonstrated good to moderate antibacterial activities against selective gram positive and gram negative bacteria. PMID:21179325

New mounting improves solar-cell efficiency

NASA Technical Reports Server (NTRS)

Shepard, N. F., Jr.

1980-01-01

Method boosts output by about 20 percent by trapping and redirecting solar radiation without increasing module depth. Mounted solar-cell array is covered with internally reflecting plate. Plate is attached to each cell by transparent adhesive, and space between cells is covered with layer of diffusely reflecting material. Solar energy falling on space between cells is diffused and reflected internally by plate until it is reflected onto solar cell.

Diffuse reflectance of TiO 2 pigmented paints: Spectral dependence of the average pathlength parameter and the forward scattering ratio

NASA Astrophysics Data System (ADS)

Vargas, William E.; Amador, Alvaro; Niklasson, Gunnar A.

2006-05-01

Diffuse reflectance spectra of paint coatings with different pigment concentrations, normally illuminated with unpolarized radiation, have been measured. A four-flux radiative transfer approach is used to model the diffuse reflectance of TiO2 (rutile) pigmented coatings through the solar spectral range. The spectral dependence of the average pathlength parameter and of the forward scattering ratio for diffuse radiation, are explicitly incorporated into this four-flux model from two novel approximations. The size distribution of the pigments has been taken into account to obtain the averages of the four-flux parameters: scattering and absorption cross sections, forward scattering ratios for collimated and isotropic diffuse radiation, and coefficients involved in the expansion of the single particle phase function in terms of Legendre polynomials.

Kinetics of Thermal Decomposition of Ammonium Perchlorate by TG/DSC-MS-FTIR

NASA Astrophysics Data System (ADS)

Zhu, Yan-Li; Huang, Hao; Ren, Hui; Jiao, Qing-Jie

2014-01-01

The method of thermogravimetry/differential scanning calorimetry-mass spectrometry-Fourier transform infrared (TG/DSC-MS-FTIR) simultaneous analysis has been used to study thermal decomposition of ammonium perchlorate (AP). The processing of nonisothermal data at various heating rates was performed using NETZSCH Thermokinetics. The MS-FTIR spectra showed that N2O and NO2 were the main gaseous products of the thermal decomposition of AP, and there was a competition between the formation reaction of N2O and that of NO2 during the process with an iso-concentration point of N2O and NO2. The dependence of the activation energy calculated by Friedman's iso-conversional method on the degree of conversion indicated that the AP decomposition process can be divided into three stages, which are autocatalytic, low-temperature diffusion and high-temperature, stable-phase reaction. The corresponding kinetic parameters were determined by multivariate nonlinear regression and the mechanism of the AP decomposition process was proposed.

The study of frequency-scan photothermal reflectance technique for thermal diffusivity measurement

DOE PAGES

Hua, Zilong; Ban, Heng; Hurley, David H.

2015-05-05

A frequency scan photothermal reflectance technique to measure thermal diffusivity of bulk samples is studied in this manuscript. Similar to general photothermal reflectance methods, an intensity-modulated heating laser and a constant intensity probe laser are used to determine the surface temperature response under sinusoidal heating. The approach involves fixing the distance between the heating and probe laser spots, recording the phase lag of reflected probe laser intensity with respect to the heating laser frequency modulation, and extracting thermal diffusivity using the phase lag – (frequency) 1/2 relation. The experimental validation is performed on three samples (SiO 2, CaF 2 andmore » Ge), which have a wide range of thermal diffusivities. The measured thermal diffusivity values agree closely with literature values. Lastly, compared to the commonly used spatial scan method, the experimental setup and operation of the frequency scan method are simplified, and the uncertainty level is equal to or smaller than that of the spatial scan method.« less

The study of frequency-scan photothermal reflectance technique for thermal diffusivity measurement

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

Hua, Zilong; Ban, Heng; Hurley, David H.

A frequency scan photothermal reflectance technique to measure thermal diffusivity of bulk samples is studied in this manuscript. Similar to general photothermal reflectance methods, an intensity-modulated heating laser and a constant intensity probe laser are used to determine the surface temperature response under sinusoidal heating. The approach involves fixing the distance between the heating and probe laser spots, recording the phase lag of reflected probe laser intensity with respect to the heating laser frequency modulation, and extracting thermal diffusivity using the phase lag – (frequency) 1/2 relation. The experimental validation is performed on three samples (SiO 2, CaF 2 andmore » Ge), which have a wide range of thermal diffusivities. The measured thermal diffusivity values agree closely with literature values. Lastly, compared to the commonly used spatial scan method, the experimental setup and operation of the frequency scan method are simplified, and the uncertainty level is equal to or smaller than that of the spatial scan method.« less

The influence of ArF excimer laser micromachining on physicochemical properties of bioresorbable poly(L-lactide)

NASA Astrophysics Data System (ADS)

Stepak, Bogusz D.; Antończak, Arkadiusz J.; Szustakiewicz, Konrad; Pezowicz, Celina; Abramski, Krzysztof M.

2016-03-01

The main advantage of laser processing is a non-contact character of material removal and high precision attainable thanks to low laser beam dimensions. This technique enables forming a complex, submillimeter geometrical shapes such as vascular stents which cannot be manufactured using traditional techniques e.g. injection moulding or mechanical treatment. In the domain of nanosecond laser sources, an ArF excimer laser appears as a good candidate for laser micromachining of bioresorbable polymers such as poly(L-lactide). Due to long pulse duration, however, there is a risk of heat diffusion and accumulation in the material. In addition, due to short wavelength (193 nm) photochemical process can modify the chemical composition of ablated surfaces. The motivation for this research was to evaluate the influence of laser micromachining on physicochemical properties of poly(L-lactide). We performed calorimetric analysis of laser machined samples by using differential scanning calorimetry (DSC). It allowed us to find the optimal process parameters for heat affected zone (HAZ) reduction. The chemical composition of the ablated surface was investigated by FTIR in attenuated total reflectance (ATR) mode.

TiO2-PANI/Cork composite: A new floating photocatalyst for the treatment of organic pollutants under sunlight irradiation.

PubMed

Sboui, Mouheb; Nsib, Mohamed Faouzi; Rayes, Ali; Swaminathan, Meenakshisundaram; Houas, Ammar

2017-10-01

A novel photocatalyst based on TiO 2 -PANI composite supported on small pieces of cork has been reported. It was prepared by simple impregnation method of the polyaniline (PANI)-modified TiO 2 on cork. The TiO 2 -PANI/Cork catalyst shows the unique feature of floating on the water surface. The as-synthesized catalyst was characterized by X-ray diffraction (XRD), scanning electron micrograph (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FT-IR), UV-vis diffuse reflectance spectra (UV-vis DRS) and the Brunauer-Emmett-Teller (BET) surface area analysis. Characterization suggested the formation of anatase highly dispersed on the cork surface. The prepared floating photocatalyst showed high efficiency for the degradation of methyl orange dye and other organic pollutants under solar irradiation and constrained conditions, i.e., no-stirring and no-oxygenation. The TiO 2 -PANI/Cork floating photocatalyst can be reused for at least four consecutive times without significant decrease of the degradation efficiency. Copyright © 2017. Published by Elsevier B.V.

Synthesis and characterization of TiO2 loaded cashew nut shell activated carbon and photocatalytic activity on BG and MB dyes under sunlight radiation

NASA Astrophysics Data System (ADS)

Ragupathy, S.; Raghu, K.; Prabu, P.

2015-03-01

Synthesis of titanium dioxide (TiO2) nanoparticles and TiO2 loaded cashew nut shell activated carbon (TiO2/CNSAC) had been undertaken using sol-gel method and their application in BG and MB dyes removal under sunlight radiation has been investigated. The synthesized photocatalysts were characterized by X-ray diffraction analysis (XRD), Fourier infra-red spectroscopy (FT-IR), UV-Vis-diffuse reflectance spectroscopy (DRS) and scanning electron microscopy (SEM) with energy dispersive X-ray analysis (EDX). The various experimental parameters like amount of catalyst, contact time for efficient dyes degradation of BG and MB were concerned in this study. Activity measurements performed under solar irradiation has shown good results for the photodegradation of BG and MB in aqueous solution. It was concluded that the higher photocatalytic activity in TiO2/CNSAC was due to parameters like band-gap, number of hydroxyl groups, surface area and porosity of the catalyst. The kinetic data were also described by the pseudo-first-order and pseudo-second-order kinetic models.

Preparation high photocatalytic activity of CdS/halloysite nanotubes (HNTs) nanocomposites with hydrothermal method

NASA Astrophysics Data System (ADS)

Xing, Weinan; Ni, Liang; Huo, Pengwei; Lu, Ziyang; Liu, Xinlin; Luo, Yingying; Yan, Yongsheng

2012-10-01

A novel nanocatalyst CdS/halloysite nanotubes (HNTs) was synthesized by hydrothermal method with direct growth of CdS nanoparticles on the surface of HNTs. The as-prepared photocatalysts had been characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray energy dispersive spectroscopy (EDS), X-ray diffraction (XRD), UV-vis diffuse reflectance spectra (UV-vis DRS), Fourier transform infrared (FT-IR) and the thermo gravimetric analysis (TGA). The photocatalytic activity of the sample was evaluated by the degradation of tetracycline (TC) under visible light irradiation. Benefit from the excellent properties of CdS and HNTs, the photocatalyst exhibited good photocatalytic activity and stability. In order to find out the optimum synthesis condition to obtain the best photocatalytic activity, a series of experiments were performed with different CdS loading capacity, different sources of sulfide and different hydrothermal temperatures, etc. The best photodegradation rate could reach 93% in 60 min under visible light irradiation. Therefore, the combination of CdS nanoparticles with HNTs endowed this material with a potential use in environmental treatments in industries.

Synergistic effect on the visible light activity of Ti3+ doped TiO2 nanorods/boron doped graphene composite

PubMed Central

Xing, Mingyang; Li, Xiao; Zhang, Jinlong

2014-01-01

TiO2/graphene (TiO2-x/GR) composites, which are Ti3+ self-doped TiO2 nanorods decorated on boron doped graphene sheets, were synthesized via a simple one-step hydrothermal method using low-cost NaBH4 as both a reducing agent and a boron dopant on graphene. The resulting TiO2 nanorods were about 200 nm in length with exposed (100) and (010) facets. The samples were characterized by X-ray diffraction (XRD), UV-visible diffuse reflectance spectroscopy, X-band electron paramagnetic resonance (EPR), X-ray photoelectron spectra (XPS), transmission electron microscope (TEM), Raman, and Fourier-transform infrared spectroscopy (FTIR). The XRD results suggest that the prepared samples have an anatase crystalline structure. All of the composites tested exhibited improved photocatalytic activities as measured by the degradation of methylene blue and phenol under visible light irradiation. This improvement was attributed to the synergistic effect of Ti3+ self-doping on TiO2 nanorods and boron doping on graphene. PMID:24974890

Preparation and Characterization of Nano Gold Supported over Montmorillonite Clays

NASA Astrophysics Data System (ADS)

Suraja, P. V.; Binitha, N. N.; Yaakob, Z.; Silija, P. P.

2011-02-01

The use of montmorillonite clays as a matrix, or as a host, for obtaining intercalated/supported metal particles has potential applications in catalysis and other areas. The gold nanoparticles were obtained from the most common anionic gold precursor HAuCl4·3H2O by deposition-precipitation (DP) methods. However, it is difficult to prepare nanoscale gold catalysts supported on silica surfaces with lower isoelectric point (IEP). Homogeneous precipitation method using urea also fails on silica surfaces. Reasons for the inefficiency of these methods are the negative charge of the metal precursor as well as the support surface and the high pH required for depositing gold nanoparticles. In the present work, we use glucose as the reductant in the presence of stabilizer for preparation of nano gold supported on montmorillonite clay. There is no need of increasing the pH of the solution to reduce the Au3+ ions. The prepared systems are characterized using various techniques such as using X-ray fluorescence (XRF), UV-VIS Diffuse reflectance spectra (DRS) and Fourier Transform infra red spectra (FTIR) to prove the efficiency of the present method.

Preparation, characterization and activity evaluation of heterostructure In(2)O(3)/In(OH)(3) photocatalyst.

PubMed

Shifu, Chen; Xiaoling, Yu; Huaye, Zhang; Wei, Liu

2010-08-15

In this paper, the heterostructure In(2)O(3)/In(OH)(3) photocatalyst was prepared by programmed thermal treatment of In(OH)(3) using In(NO(3))(3).9H(2)O as the precursor. Various characterization methods such as X-ray power diffraction (XRD), UV-vis diffuse reflectance spectroscopy (DRS), Fourier transform infrared spectrometry (FT-IR) and transmission electron microscopy (TEM) were employed to investigate the structure, morphologies, and optical properties. Terephthalic acid was used as a probe molecule to detect the generation of hydroxyl radicals (OH) on the surface of UV-illuminated photocatalyst by a photoluminescence (PL) technique. The results showed that the photocatalytic activity of the heterostructure In(2)O(3)/In(OH)(3) was higher than that of single In(2)O(3) or In(OH)(3). The increased photocatalytic activity may be attributed to the formation of the heterojunction between In(2)O(3) and In(OH)(3), which suppresses the recombination of photoexcited electrons-hole pairs. Copyright 2010 Elsevier B.V. All rights reserved.

Efficient photo-catalytic degradation of malachite green using nickel tungstate material as photo-catalyst.

PubMed

Helaïli, N; Boudjamaa, A; Kebir, M; Bachari, K

2017-03-01

The present study focused on the evaluation of photo-catalytic and photo-electrochemical properties of the photo-catalyst based on nickel tungstate material prepared by a nitrate method through the degradation of malachite green (MG) dye's. The effect of catalyst loading and dye concentration was examined. Physico-chemical, optical, electrical, electrochemical, and photo-electrochemical properties of the prepared material were analyzed by X-ray diffraction (XRD), fourier transform-infrared spectroscopy (FTIR), BET analysis, optical reflectance diffuse (DR), scanning electron microscopy (SEM/EDX), electrical conductivity, cyclic voltammetry (CV), current intensity, mott-shottky, and nyquist. XRD revealed the formation of monoclinic structure with a small particle size. BET surface area of the sample was around 10 m 2 /g. The results show that the degradation of MG was more than 80%, achieved after 3 h of irradiation at pH 4.6 and with a catalyst loading of 75 mg. Also, it was found that the dye photo-degradation obeyed the pseudo-first order kinetic via Langmuir Hinshelwood model.

Synthesis and Characterization of Cobalt Substituted Zinc Ferrite Nanoparticles by Microwave Combustion Method.

PubMed

Sundararajan, M; Kennedy, L John; Vijaya, J Judith

2015-09-01

Pure and cobalt doped zinc ferrites were prepared by microwave combustion method using L-arginine as a fuel. The prepared samples were characterized by various instrumental techniques such as X-ray powder diffractometry, high resolution scanning electron microscopy (HR-SEM), energy dispersive X-ray analysis, Fourier transformed infrared (FT-IR) spectroscopy, photoluminescence spectroscopy and UV-Visible diffuse reflectance spectroscopy. Vibrating sample magnetometry at room temperature was recorded to study the magnetic behavior of the samples. X-ray analysis confirmed the formation of zinc ferrites normal spinel-type structure with an average crystallite sizes in the range, 25.69 nm to 35.68 nm. The lattice parameters decreased as cobalt fraction was increased. The HR-SEM images showed nanoparticles are agglomerated. The estimated band gap energy value was found to decrease with an increase in cobalt content (1.87 to 1.62 eV). Broad visible emissions are observed in the photoluminescence spectra. A gradual increase in the coercivity and saturation magnetization (M(s)) were noted at relatively higher cobalt doping fractions.

Enhancing the photocatalytic degradation of Fe-Ti over SiO2 nanocomposite material for paraquat removal

NASA Astrophysics Data System (ADS)

Kruanetr, Senee; Wanchanthuek, Ratchaneekorn

2018-05-01

The effect of Fe and Ti loaded over SiO2 (called FeTi/SiO2) in paraquat degradation was studied for both the catalytic activity and the catalyst surface properties. Sufficient characterization techniques were used to obtain the physical and chemical properties of the FeTi/SiO2 system, such as the adsorption-desorption isotherm, surface area and porous structure, XRD diffraction, FTIR spectroscopy, UV–vis diffuse reflection spectrometry and XPS spectroscopy. The catalytic activity in paraquat degradation studies showed that the bimetallic Fe-Ti over SiO2 had higher activity than the monometallic of either Fe or Ti over SiO2 and also the order of the Fe and Ti loading was the significant parameter affecting the activity. The XPS showed that the level of Fe3+ over the catalyst was related to the obtained activity. Moreover, the optimum Fe:Ti ratio in the FeTi/SiO2 system was 1:1 (by weight). Finally, the effect of the support pretreatment (SiO2 pretreatment) was studied and showed a negative effect on the expressed activity.

Transition metal ions effect on the properties and photocatalytic activity of nanocrystalline TiO2 prepared in an ionic liquid.

PubMed

Ghasemi, S; Rahimnejad, S; Setayesh, S Rahman; Rohani, S; Gholami, M R

2009-12-30

TiO(2) and transition metal (Cr, Mn, Fe, Co, Ni, Cu, and Zn) doped TiO(2) nanoparticles were synthesized by the sol-gel method using 2-hydroxylethylammonium formate as an ionic liquid. All the prepared samples were calcined at 500 degrees C and characterized by X-ray diffraction (XRD), BET surface area determination, energy dispersive X-ray (EDX) analysis, diffuse reflectance spectroscopy (DRS), and Fourier transformed infrared (FT-IR) techniques. The studies revealed that transition metal (TM) doped nanoparticles have smaller crystalline size and higher surface area than pure TiO(2). Dopant ions in the TiO(2) structure caused significant absorption shift into the visible region. The results of photodegradation of Acid Blue92 (AB92) in aqueous medium under UV light showed that photocatalytic activity of TiO(2) nanoparticles was significantly enhanced by the presence of some transition metal ions. Chemical Oxygen Demand (COD) of dye solutions were done at regular intervals gave a good idea about mineralization of dye.

Synthesis of N-doped potassium tantalate perovskite material for environmental applications

NASA Astrophysics Data System (ADS)

Rao, Martha Purnachander; Nandhini, Vellangattupalayam Ponnusamy; Wu, Jerry J.; Syed, Asad; Ameen, Fuad; Anandan, Sambandam

2018-02-01

Nitrogen containing potassium tantalate perovskite material has been synthesized by the solvothermal method using urea (CH4N2O) as a nitrogen source. The as-prepared sample was characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), diffuse reflectance spectroscopy (DRS), scanning electron microscope (SEM), and energy-dispersive X-ray spectroscopy (EDX) and X-ray photoelectron spectroscopy (XPS). The particle size of nitrogen containing KTaO3 observed from SEM images was found to be 100-150 nm. Doping KTaO3 with nitrogen causes reduction of band gap from 3.5 to 2.54 eV. The incorporation of Nitrogen into the crystal lattice of KTaO3 not only extended the absorption of light from UV (ultraviolet) region to visible region and also enhanced the photocatalytic activity. As prepared nitrogen containing KTaO3 samples exhibit cubic-like morphology and noticed efficient photocatalytic activity towards methylene blue dye degradation under visible light illumination. The intermediates formed during photodegradation were identified by mass spectrometry (GC-MS) and proposed suitable degradation pathway.

A comprehensive study on the photocatalytic activity of coupled copper oxide-cadmium sulfide nanoparticles

NASA Astrophysics Data System (ADS)

Senobari, Samaneh; Nezamzadeh-Ejhieh, Alireza

2018-05-01

Coupled CdS-CuO nanoparticles (NPs) subjected in the photocatalytic degradation of Methylene blue (MB) aqueous solution. The calcination temperature and the crystallite phase of CuO had a significant role on the photocatalytic activity of the coupled system and CuO200/2h-CdS catalyst (containing CuO calcined at 200 °C for 2 h) showed the best photocatalytic activity. The coupled system showed increased activity with respect to the monocomponent semiconductors. The prepared catalysts characterized by x-ray diffraction (XRD), scanning electron microscope equipped with energy dispersive X-ray (EDX) analyzer, x-ray mapping, Fourier transform infrared (FTIR) spectroscopy, diffuse reflectance spectroscopy (DRS) and electrochemical impedance spectroscopy (EIS) techniques. The best degradation extent of MB was obtained at: CMB: 1 mg L-1, pH 5, 80 min irradiation time and 0.8 g L-1 of the CuO200/2h-CdS catalyst. The chemical oxygen demand (COD) confirmed about 83% of MB molecules can be mineralized at the optimum conditions.

Improving the catalytic activity of magnetic Fe3O4/ZnO-CdO/reduced graphene oxide for ultrasonic degradation of the organic pollutants and the green oxidation of olefins

NASA Astrophysics Data System (ADS)

Mirzazadeh, Hoda; Lashanizadegan, Maryam

2018-05-01

Magnetic Fe3O4/ZnO-CdO/reduced graphene oxide (MFZC/RGO) has been synthesized by simple hydrothermal method. The structure and morphology were investigated by X-ray diffraction (XRD), Transmission electron microscopy (TEM), Scanning electron microscopy (SEM), Energy-dispersive X-ray spectroscopy (EDS), Diffuse reflectance spectroscopy (DRS), Vibrating sample magnetometer (VSM), Raman and Fourier-transform infrared spectroscopy (FTIR). MFZC/RGO was applied as catalyst in degradation of methylene blue (MB), rhodamin B (RhB) and methylorange (MO) under ultrasonic irradiation. Based on the results, excellent degradation efficiencies of MB, RhB and MO (>99%) were achieved within 10, 20 and 20 min, respectively under oxygen flow. Moreover the catalytic property of MFZC/RGO was investigated in oxidation of styrene, α-methyl styrene, cyclohexene and cyclooctene under oxygen flow. In addition, MFZC/RGO can be easily collected and separated by an external magnet. The catalyst displayed negligible loss in activity and selectivity within several successive runs due to super paramagnetism.

Solar photocatalytic degradation of isoproturon over TiO2/H-MOR composite systems.

PubMed

Sharma, Mangalampalli V Phanikrishna; Durgakumari, Valluri; Subrahmanyam, Machiraju

2008-12-30

The photocatalytic degradation and mineralization of isoproturon herbicide was investigated in aqueous solution containing TiO2 over H-mordenite (H-MOR) photocatalysts under solar light. The catalysts are characterized by X-ray diffraction (XRD), UV-Vis diffused reflectance spectra (UV-Vis DRS), Fourier transform-infra red spectra (FT-IR) and scanning electron microscopy (SEM) techniques. The effect of TiO2, H-MOR support and different wt% of TiO2 over the support on the photocatalytic degradation and influence of parameters such as TiO2 loading, catalyst amount, pH and initial concentration of isoproturon on degradation are evaluated. 15wt% TiO2/H-MOR composite is found to be optimum. The degradation reaction follows pseudo-first order kinetics and is discussed in terms of Langmuir-Hinshelwood (L-H) kinetic model. The extent of isoproturon mineralization studied with chemical oxygen demand (COD) and total organic carbon (TOC) measurements and approximately 80% mineralization occurred in 5h. A plausible mechanism is proposed based on the intermediates identified by liquid chromatography-mass spectroscopy (LC-MS).

Structural coloration of chitosan coated cellulose fabrics by electrostatic self-assembled poly (styrene-methyl methacrylate-acrylic acid) photonic crystals.

PubMed

Yavuz, Gönül; Zille, Andrea; Seventekin, Necdet; Souto, Antonio P

2018-08-01

The structural coloration of a chitosan-coated woven cotton fabric obtained by glutaraldehyde-stabilized deposition of electrostatic self-assembled monodisperse and spherically uniform (250 nm) poly (styrene-methyl methacrylate-acrylic acid) photonic crystal nanospheres (P(St-MMA-AA)) was investigated. Bright iridescent coatings displaying different colors in function of the viewing angle were obtained. The SEM, diffuse reflectance spectroscopy, TGA, DSC and FTIR analyses confirm the presence of structural color and the glutaraldehyde and chitosan ability to provide durable chemical bonding between cotton fabric and photonic crystal (PCs) coating with the highest degradation temperature and the lowest enthalpy. The coatings are characterized by a mixture of face-centered cubic and hexagonal close-packed arrays alternating random packing regions. For the first time a cost-efficient structural coloration with high washing and light fastness using self-assembled P(St-MMA-AA) photonic crystals was successfully developed onto woven cotton fabric using chitosan and/or glutaraldehyde as stabilizing agent opening new strategies for the development of dye-free coloration of textiles. Copyright © 2018 Elsevier Ltd. All rights reserved.

Microplastics on sandy beaches of the Baja California Peninsula, Mexico.

PubMed

Piñon-Colin, Teresita de Jesus; Rodriguez-Jimenez, Ruben; Pastrana-Corral, Miguel Angel; Rogel-Hernandez, Eduardo; Wakida, Fernando Toyohiko

2018-06-01

Microplastics have become a concern in recent years because of their negative impact on marine and freshwater environments. Twenty-one sandy beach sites were sampled to investigate the occurrence and distribution of microplastics on the sandy beaches of the Baja California Peninsula, Mexico, as well as their spectroscopic characterization and morphology. Microplastics were separated using the density method and identified using Attenuated Total Reflection Fourier Transform Infrared Spectroscopy (ATR-FTIR). The mean abundance of microplastics in the samples was 135 ± 92 particles kg−1, and fiber was the most abundant microplastic found in the samples, comprising 91% of the total microplastics identified. Attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) analysis of the microplastics showed that the main polymers found in microplastics were polyacrylic, polyacrylamide, polyethylene terephthalate, polyesters, and nylon.

Understanding The Interfacial Structure Of Aqueous Phospholipid Monolayer Films Via External Reflection FT-IR Spectroscopy.

NASA Astrophysics Data System (ADS)

Mitchell, Melody L.; Dluhy, Richard A.

1989-12-01

Monolayer films of dimyristoyl-phosphatidic-acid (DMPA) at neutral and basic pH exhibit first-order phase transitions in their pressure-area curves. In situ external reflection FT-IR studies in the CH, stretching bands over this phase transition region exhibit a --6 cm-1 shift similar to that observed in previous studies of dipalmitoyl-phosphotidylcholine (DPPC)1. The acid form of DMPA at pH 3.0 does not exhibit the first order phase transition, but a ~1cm-1 frequency shift is observed in the liquid condensed phase and is also present in the neutral pH form. A solid-solid phase transition is proposed. Examination of the polar headgroup region (1300-960 cm-1)for acidic, neutral, and basic forms of DMPA give characteristic bands of each protonation state of PO3.

Label-Free Determination of Protein Binding in Aqueous Solution using Overlayer Enhanced Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy (OE-ATR-FTIR)

NASA Astrophysics Data System (ADS)

Ruthenburg, Travis; Aweda, Tolulope; Park, Simon; Meares, Claude; Land, Donald

2009-03-01

Protein binding/affinity studies are often performed using Surface Plasmon Resonance techniques that don't produce much spectral information. Measurement of protein binding affinity using FTIR is traditionally performed using high protein concentration or deuterated solvent. By immobilizing a protein near the surface of a gold-coated germanium internal reflection element interactions can be measured between an immobilized protein and free proteins or small molecules in aqueous solution. By monitoring the on and off rates of these interactions, the dissociation constant for the system can be determined. The dissociation constant for the molecule Yttrium-DOTA binding to the antibody 2D12.5 system was determined to be 100nM. Results will also be presented from our measurements of Bovine Serum Albumin (BSA) binding to anti-BSA.

[Application of Fourier transform attenuated total reflection infrared spectroscopy in analysis of pulp and paper industry].

PubMed

Zhang, Yong; Cao, Chun-yu; Feng, Wen-ying; Xu, Ming; Su, Zhen-hua; Liu, Xiao-meng; Lü, Wei-jun

2011-03-01

As one of the most powerful tools to investigate the compositions of raw materials and the property of pulp and paper, infrared spectroscopy has played an important role in pulp and paper industry. However, the traditional transmission infrared spectroscopy has not met the requirements of the producing processes because of its disadvantages of time consuming and sample destruction. New technique would be needed to be found. Fourier transform attenuated total reflection infrared spectroscopy (ATR-FTIR) is an advanced spectroscopic tool for nondestructive evaluation and could rapidly, accurately estimate the production properties of each process in pulp and paper industry. The present review describes the application of ATR-FTIR in analysis of pulp and paper industry. The analysis processes will include: pulping, papermaking, environmental protecting, special processing and paper identifying.

Surface inspection using FTIR spectroscopy

NASA Technical Reports Server (NTRS)

Powell, G. L.; Smyrl, N. R.; Williams, D. M.; Meyers, H. M., III; Barber, T. E.; Marrero-Rivera, M.

1995-01-01

The use of reflectance Fourier transform infrared (FTIR) spectroscopy as a tool for surface inspection is described. Laboratory instruments and portable instruments can support remote sensing probes that can map chemical contaminants on surfaces with detection limits under the best of conditions in the sub-nanometer range, i.e.. near absolute cleanliness, excellent performance in the sub-micrometer range, and useful performance for films tens of microns thick. Examples of discovering and quantifying contamination such as mineral oils and greases, vegetable oils, and silicone oils on aluminum foil, galvanized sheet steel, smooth aluminum tubing, and sandblasted 7075 aluminum alloy and D6AC steel. The ability to map in time and space the distribution of oil stains on metals is demonstrated. Techniques associated with quantitatively applying oils to metals, subsequently verifying the application, and non-linear relationships between reflectance and the quantity oil are described.

Soft tissue differentiation by diffuse reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Zam, Azhar; Stelzle, Florian; Nkenke, Emeka; Tangermann-Gerk, Katja; Schmidt, Michael; Adler, Werner; Douplik, Alexandre

2009-07-01

Laser surgery gives the possibility to work remotely which leads to high precision, little trauma and high level sterility. However these advantages are coming with the lack of haptic feedback during the laser ablation of tissue. Therefore additional means are required to control tissue-specific ablation during laser surgery supporting the surgeon regardless of experience and skills. Diffuse Reflectance Spectroscopy provides a straightforward and simple approach for optical tissue differentiation. We measured diffuse reflectance from four various tissue types ex vivo. We applied Linear Discriminant Analysis (LDA) to differentiate the four tissue types and computed the area under the ROC curve (AUC). Special emphasis was taken on the identification of nerve as the most crucial tissue for maxillofacial surgery. The results show a promise for differentiating soft tissues as guidance for tissue-specific laser surgery by means of the diffuse reflectance.

Effect of substrate dislocations on the Hg in-diffusion in CdZnTe substrates used for HgCdTe epilayer growth

NASA Astrophysics Data System (ADS)

Kumar, Shiv; Kapoor, A. K.; Nagpal, A.; Sharma, S.; Verma, D.; Kumar, A.; Raman, R.; Basu, P. K.

2006-12-01

Chemical-etched HgCdTe epilayers grown onto CdZnTe substrates have been studied using defect etching and EDS on cleaved (1 1 0) face. Formation of etch pits and mercury (Hg) in-diffusion into CZT substrate has been correlated with the substrate quality i.e. the presence of dislocations around second phase inclusions. That the Hg in-diffusion takes place through these dislocations is authenticated by the presence of Te-inclusions in substrates where large density of etch pits are revealed after chemical etching. X-ray rocking curve measurements were carried out to reveal crystalline quality of the substrates. FTIR spectroscopy indicates low transmission values and absence of interference fringes in MCT epilayers with large Hg diffusion. Hg diffusion into CZT substrate upto 25 μm in samples with low FWHM values and upto 250 μm in samples with multiple peaks and high FWHM values was observed.

Spectrophotometric Method for Differentiation of Human Skin Melanoma. I. Optical Diffuse Reflection Coefficient

NASA Astrophysics Data System (ADS)

Petruk, V. G.; Ivanov, A. P.; Kvaternyuk, S. M.; Barun, V. V.

2016-03-01

We have designed an experimental setup, based on two integrating spheres, that lets us measure the optical diffuse reflectance spectra (diffuse reflection coefficient vs. wavelength) of human skin quickly under clinical conditions in vivo. For the wavelength interval 520-1100 nm, we give the values of the diffuse reflection coefficient for healthy tissue, skin with a benign nevus, and skin with a malignant melanoma for a large group of test subjects. We experimentally established a number of wavelengths in the red-near IR region of the spectrum which can be used for early differential diagnosis of nevi and melanoma in patient cancer screening. According to the Kramer-Welch test, the probability of the diffuse reflection coefficient for skin with melanoma and a nevus having different distributions is >0.94, and at many wavelengths it is >0.999. By solving the inverse problem, we estimated the changes in a number of structural and biophysical parameters of the tissue on going from healthy skin to nevus and melanoma. The results obtained can provide a basis for developing a clinical approach to identifying the risk of malignant transformation of the skin before surgery and histological analysis of the tissue.

ATR-FTIR spectroscopy reveals polycyclic aromatic hydrocarbon contamination despite relatively pristine site characteristics: Results of a field study in the Niger Delta.

PubMed

Obinaju, Blessing E; Martin, Francis L

2016-01-01

Fourier-transform infrared (FTIR) spectroscopy is an emerging technique to detect biochemical alterations in biological tissues, particularly changes due to sub-lethal exposures to environmental contaminants. We have previously shown the potential of attenuated total reflection FTIR (ATR-FTIR) spectroscopy to detect real-time exposure to contaminants in sentinel organisms as well as the potential to relate spectral alterations to the presence of specific environmental agents. In this study based in the Niger Delta (Nigeria), changes occurring in fish tissues as a result of polycyclic aromatic hydrocarbon (PAH) exposure at contaminated sites are compared to the infrared (IR) spectra of the tissues obtained from a relatively pristine site. Multivariate analysis revealed that PAH contamination could be occurring at the pristine site, based on the IR spectra and significant (P<0.0001) differences between sites. The study provides evidence of the IR spectroscopy techniques' sensitivity and supports their potential application in environmental biomonitoring. Copyright © 2016 Elsevier Ltd. All rights reserved.

Validation of ATR FT-IR to identify polymers of plastic marine debris, including those ingested by marine organisms.

PubMed

Jung, Melissa R; Horgen, F David; Orski, Sara V; Rodriguez C, Viviana; Beers, Kathryn L; Balazs, George H; Jones, T Todd; Work, Thierry M; Brignac, Kayla C; Royer, Sarah-Jeanne; Hyrenbach, K David; Jensen, Brenda A; Lynch, Jennifer M

2018-02-01

Polymer identification of plastic marine debris can help identify its sources, degradation, and fate. We optimized and validated a fast, simple, and accessible technique, attenuated total reflectance Fourier transform infrared spectroscopy (ATR FT-IR), to identify polymers contained in plastic ingested by sea turtles. Spectra of consumer good items with known resin identification codes #1-6 and several #7 plastics were compared to standard and raw manufactured polymers. High temperature size exclusion chromatography measurements confirmed ATR FT-IR could differentiate these polymers. High-density (HDPE) and low-density polyethylene (LDPE) discrimination is challenging but a clear step-by-step guide is provided that identified 78% of ingested PE samples. The optimal cleaning methods consisted of wiping ingested pieces with water or cutting. Of 828 ingested plastics pieces from 50 Pacific sea turtles, 96% were identified by ATR FT-IR as HDPE, LDPE, unknown PE, polypropylene (PP), PE and PP mixtures, polystyrene, polyvinyl chloride, and nylon. Published by Elsevier Ltd.

Application of Attenuated Total Reflectance-Fourier Transformed Infrared (ATR-FTIR) Spectroscopy To Determine the Chlorogenic Acid Isomer Profile and Antioxidant Capacity of Coffee Beans.

PubMed

Liang, Ningjian; Lu, Xiaonan; Hu, Yaxi; Kitts, David D

2016-01-27

The chlorogenic acid isomer profile and antioxidant activity of both green and roasted coffee beans are reported herein using ATR-FTIR spectroscopy combined with chemometric analyses. High-performance liquid chromatography (HPLC) quantified different chlorogenic acid isomer contents for reference, whereas ORAC, ABTS, and DPPH were used to determine the antioxidant activity of the same coffee bean extracts. FTIR spectral data and reference data of 42 coffee bean samples were processed to build optimized PLSR models, and 18 samples were used for external validation of constructed PLSR models. In total, six PLSR models were constructed for six chlorogenic acid isomers to predict content, with three PLSR models constructed to forecast the free radical scavenging activities, obtained using different chemical assays. In conclusion, FTIR spectroscopy, coupled with PLSR, serves as a reliable, nondestructive, and rapid analytical method to quantify chlorogenic acids and to assess different free radical-scavenging capacities in coffee beans.

Fourier Transform Infrared Spectroscopy (FTIR) and Multivariate Analysis for Identification of Different Vegetable Oils Used in Biodiesel Production

PubMed Central

Mueller, Daniela; Ferrão, Marco Flôres; Marder, Luciano; da Costa, Adilson Ben; de Cássia de Souza Schneider, Rosana

2013-01-01

The main objective of this study was to use infrared spectroscopy to identify vegetable oils used as raw material for biodiesel production and apply multivariate analysis to the data. Six different vegetable oil sources—canola, cotton, corn, palm, sunflower and soybeans—were used to produce biodiesel batches. The spectra were acquired by Fourier transform infrared spectroscopy using a universal attenuated total reflectance sensor (FTIR-UATR). For the multivariate analysis principal component analysis (PCA), hierarchical cluster analysis (HCA), interval principal component analysis (iPCA) and soft independent modeling of class analogy (SIMCA) were used. The results indicate that is possible to develop a methodology to identify vegetable oils used as raw material in the production of biodiesel by FTIR-UATR applying multivariate analysis. It was also observed that the iPCA found the best spectral range for separation of biodiesel batches using FTIR-UATR data, and with this result, the SIMCA method classified 100% of the soybean biodiesel samples. PMID:23539030

Comparison of serum from gastric cancer patients and from healthy persons using FTIR spectroscopy

NASA Astrophysics Data System (ADS)

Sheng, Daping; Wu, Yican; Wang, Xin; Huang, Dake; Chen, Xianliang; Liu, Xingcun

2013-12-01

Since serum can reflect human beings' physiological and pathological conditions, FTIR spectroscopy was used to compare gastric cancer patients' serum with healthy persons' serum in this study. The H2959/H2931, H1646/H1550, H1314/H1243, H1453/H1400 and H1080/H1550 ratios were calculated, among these ratios, the H2959/H2931 ratio might be a standard for distinguishing gastric cancer patients from healthy persons. Then curve fitting was processed using Gaussian curves in the 1140-1000 cm-1 region, and the result showed that the RNA/DNA ratios of gastric cancer patients' serum were obviously lower than those of healthy persons' serum. The results suggest that FTIR spectroscopy may be a potentially useful tool for diagnosis of gastric cancer.

In vivo soft tissue differentiation by diffuse reflectance spectroscopy: preliminary results

NASA Astrophysics Data System (ADS)

Zam, Azhar; Stelzle, Florian; Tangermann-Gerk, Katja; Adler, Werner; Nkenke, Emeka; Neukam, Friedrich Wilhelm; Schmidt, Michael; Douplik, Alexandre

Remote laser surgery does not provide haptic feedback to operate layer by layer and preserve vulnerable anatomical structures like nerve tissue or blood vessels. The aim of this study is identification of soft tissue in vivo by diffuse reflectance spectroscopy to set the base for a feedback control system to enhance nerve preservation in oral and maxillofacial laser surgery. Various soft tissues can be identified by diffuse reflectance spectroscopy in vivo. The results may set the base for a feedback system to prevent nerve damage during oral and maxillofacial laser surgery.

Effects of Americium-241 and humic substances on Photobacterium phosphoreum: bioluminescence and diffuse reflectance FTIR spectroscopic studies.

PubMed

Kamnev, Alexander A; Tugarova, Anna V; Selivanova, Maria A; Tarantilis, Petros A; Polissiou, Moschos G; Kudryasheva, Nadezhda S

2013-01-01

The integral bioluminescence (BL) intensity of live Photobacterium phosphoreum cells (strain 1883 IBSO), sampled at the stationary growth stage (20 h), was monitored for further 300 h in the absence (control) and presence of (241)Am (an α-emitting radionuclide of a high specific activity) in the growth medium. The activity concentration of (241)Am was 2 kBq l(-1); [(241)Am]=6.5×10(-11) M. Parallel experiments were also performed with water-soluble humic substances (HS, 2.5 mg l(-1); containing over 70% potassium humate) added to the culture medium as a possible detoxifying agent. The BL spectra of all the bacterial samples were very similar (λ(max)=481±3 nm; FWHM=83±3 nm) showing that (241)Am (also with HS) influenced the bacterial BL system at stages prior to the formation of electronically excited states. The HS added per se virtually did not influence the integral BL intensity. In the presence of (241)Am, BL was initially activated but inhibited after 180 h, while the system (241)Am+HS showed an effective activation of BL up to 300 h which slowly decreased with time. Diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy, applied to dry cell biomass sampled at the stationary growth phase, was used to control possible metabolic responses of the bacteria to the α-radioactivity stress (observed earlier for other bacteria under other stresses). The DRIFT spectra were all very similar showing a low content of intracellular poly-3-hydroxybutyrate (at the level of a few percent of dry biomass) and no or negligible spectroscopic changes in the presence of (241)Am and/or HS. This assumes the α-radioactivity effect to be transmitted by live cells mainly to the bacterial BL enzyme system, with negligible structural or compositional changes in cellular macrocomponents at the stationary growth phase. Copyright © 2012 Elsevier B.V. All rights reserved.

Effects of americium-241 and humic substances on Photobacterium phosphoreum: Bioluminescence and diffuse reflectance FTIR spectroscopic studies

NASA Astrophysics Data System (ADS)

Kamnev, Alexander A.; Tugarova, Anna V.; Selivanova, Maria A.; Tarantilis, Petros A.; Polissiou, Moschos G.; Kudryasheva, Nadezhda S.

The integral bioluminescence (BL) intensity of live Photobacterium phosphoreum cells (strain 1883 IBSO), sampled at the stationary growth stage (20 h), was monitored for further 300 h in the absence (control) and presence of 241Am (an α-emitting radionuclide of a high specific activity) in the growth medium. The activity concentration of 241Am was 2 kBq l-1; [241Am] = 6.5 × 10-11 M. Parallel experiments were also performed with water-soluble humic substances (HS, 2.5 mg l-1; containing over 70% potassium humate) added to the culture medium as a possible detoxifying agent. The BL spectra of all the bacterial samples were very similar (λmax = 481 ± 3 nm; FWHM = 83 ± 3 nm) showing that 241Am (also with HS) influenced the bacterial BL system at stages prior to the formation of electronically excited states. The HS added per se virtually did not influence the integral BL intensity. In the presence of 241Am, BL was initially activated but inhibited after 180 h, while the system 241Am + HS showed an effective activation of BL up to 300 h which slowly decreased with time. Diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy, applied to dry cell biomass sampled at the stationary growth phase, was used to control possible metabolic responses of the bacteria to the α-radioactivity stress (observed earlier for other bacteria under other stresses). The DRIFT spectra were all very similar showing a low content of intracellular poly-3-hydroxybutyrate (at the level of a few percent of dry biomass) and no or negligible spectroscopic changes in the presence of 241Am and/or HS. This assumes the α-radioactivity effect to be transmitted by live cells mainly to the bacterial BL enzyme system, with negligible structural or compositional changes in cellular macrocomponents at the stationary growth phase.

FTIR spectrometer with solid-state drive system

DOEpatents

Rajic, Slobodan; Seals, Roland D.; Egert, Charles M.

1999-01-01

An FTIR spectrometer (10) and method using a solid-state drive system with thermally responsive members (27) that are subject to expansion upon heating and to contraction upon cooling. Such members (27) are assembled in the device (10) so as to move an angled, reflective surface (22) a small distance. The sample light beam (13) is received at a detector (24) along with a reference light beam (13) and there it is combined into a resulting signal. This allows the "interference" between the two beams to occur for spectral analysis by a processor (29).

Noninvasive Study of Explosive Materials by Time Domain Spectroscopy and FTIR

NASA Astrophysics Data System (ADS)

Huang, Feng; Federici, John; Gary, Dale; Barat, Robert; Zimdars, David

2005-04-01

Transmission and reflection spectroscopy in the Terahertz (THz) range (˜ 3 to 0.1 mm) is potentially useful for the detection of explosives and biological agents. This paper describes the use of THz time domain spectroscopy (TDS) applied in transmission to the 1,3,5 trinitro-s-triazine (RDX), C4, Amonium Nitrate, etc. Samples were also subjected to Fourier Transform Infrared (FTIR) spectroscopy over the same range for comparison. General agreement confirms the absorption features found. The nature of THz technology applied in the noninvasive detection of such material is discussed.

Optical device for thermal diffusivity determination in liquids by reflection of a thermal wave

NASA Astrophysics Data System (ADS)

Sánchez-Pérez, C.; De León-Hernández, A.; García-Cadena, C.

2017-08-01

In this work, we present a device for determination of the thermal diffusivity using the oblique reflection of a thermal wave within a solid slab that is in contact with the medium to be characterized. By using the reflection near a critical angle under the assumption that thermal waves obey Snell's law of refraction with the square root of the thermal diffusivities, the unknown thermal diffusivity is obtained by simple formulae. Experimentally, the sensor response is measured using the photothermal beam deflection technique within a slab that results in a compact device with no contact of the laser probing beam with the sample. We describe the theoretical basis and provide experimental results to validate the proposed method. We determine the thermal diffusivity of tridistilled water and glycerin solutions with an error of less than 0.5%.

Clinical system model for monitoring the physiological status of jaundice by extracting bilirubin components from skin diffuse reflectance spectra

NASA Astrophysics Data System (ADS)

Kumar, Alla S.; Clark, Joseph; Beyette, Fred R., Jr.

2009-02-01

Neonatal jaundice is a medical condition which occurs in newborns as a result of an imbalance between the production and elimination of bilirubin. The excess bilirubin in the blood stream diffuses into the surrounding tissue leading to a yellowing of the skin. As the bilirubin levels rise in the blood stream, there is a continuous exchange between the extra vascular bilirubin and bilirubin in the blood stream. Exposure to phototherapy alters the concentration of bilirubin in the vascular and extra vascular regions by causing bilirubin in the skin layers to be broken down. Thus, the relative concentration of extra vascular bilirubin is reduced leading to a diffusion of bilirubin out of the vascular region. Diffuse reflectance spectra from human skin contains physiological and structural information of the skin and nearby tissue. A diffuse reflectance spectrum must be captured before and after blanching in order to isolate the intravascular and extra vascular bilirubin. A new mathematical model is proposed with extra vascular bilirubin concentration taken into consideration along with other optical parameters in defining the diffuse reflectance spectrum from human skin. A nonlinear optimization algorithm has been adopted to extract the optical properties (including bilirubin concentration) from the skin reflectance spectrum. The new system model and nonlinear algorithm have been combined to enable extraction of Bilirubin concentrations within an average error of 10%.

Reconstructing in-vivo reflectance spectrum of pigmented skin lesion by Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Wang, Shuang; He, Qingli; Zhao, Jianhua; Lui, Harvey; Zeng, Haishan

2012-03-01

In dermatology applications, diffuse reflectance spectroscopy has been extensively investigated as a promising tool for the noninvasive method to distinguish melanoma from benign pigmented skin lesion (nevus), which is concentrated with the skin chromophores like melanin and hemoglobin. We carried out a theoretical study to examine melanin distribution in human skin tissue and establish a practical optical model for further pigmented skin investigation. The theoretical simulation was using junctional nevus as an example. A multiple layer skin optical model was developed on established anatomy structures of skin, the published optical parameters of different skin layers, blood and melanin. Monte Carlo simulation was used to model the interaction between excitation light and skin tissue and rebuild the diffuse reflectance process from skin tissue. A testified methodology was adopted to determine melanin contents in human skin based on in vivo diffuse reflectance spectra. The rebuild diffuse reflectance spectra were investigated by adding melanin into different layers of the theoretical model. One of in vivo reflectance spectra from Junctional nevi and their surrounding normal skin was studied by compare the ratio between nevus and normal skin tissue in both the experimental and simulated diffuse reflectance spectra. The simulation result showed a good agreement with our clinical measurements, which indicated that our research method, including the spectral ratio method, skin optical model and modifying the melanin content in the model, could be applied in further theoretical simulation of pigmented skin lesions.

A method of online quantitative interpretation of diffuse reflection profiles of biological tissues

NASA Astrophysics Data System (ADS)

Lisenko, S. A.; Kugeiko, M. M.

2013-02-01

We have developed a method of combined interpretation of spectral and spatial characteristics of diffuse reflection of biological tissues, which makes it possible to determine biophysical parameters of the tissue with a high accuracy in real time under conditions of their general variability. Using the Monte Carlo method, we have modeled a statistical ensemble of profiles of diffuse reflection coefficients of skin, which corresponds to a wave variation of its biophysical parameters. On its basis, we have estimated the retrieval accuracy of biophysical parameters using the developed method and investigated the stability of the method to errors of optical measurements. We have showed that it is possible to determine online the concentrations of melanin, hemoglobin, bilirubin, oxygen saturation of blood, and structural parameters of skin from measurements of its diffuse reflection in the spectral range 450-800 nm at three distances between the radiation source and detector.

Combination of acoustical radiosity and the image source method.

PubMed

Koutsouris, Georgios I; Brunskog, Jonas; Jeong, Cheol-Ho; Jacobsen, Finn

2013-06-01

A combined model for room acoustic predictions is developed, aiming to treat both diffuse and specular reflections in a unified way. Two established methods are incorporated: acoustical radiosity, accounting for the diffuse part, and the image source method, accounting for the specular part. The model is based on conservation of acoustical energy. Losses are taken into account by the energy absorption coefficient, and the diffuse reflections are controlled via the scattering coefficient, which defines the portion of energy that has been diffusely reflected. The way the model is formulated allows for a dynamic control of the image source production, so that no fixed maximum reflection order is required. The model is optimized for energy impulse response predictions in arbitrary polyhedral rooms. The predictions are validated by comparison with published measured data for a real music studio hall. The proposed model turns out to be promising for acoustic predictions providing a high level of detail and accuracy.

Optical diffuse reflectance accessory for measurements of skin tissue by near-infrared spectroscopy

NASA Astrophysics Data System (ADS)

Marbach, R.; Heise, H. M.

1995-02-01

An optimized accessory for measuring the diffuse reflectance spectra of human skin tissue in the near-infrared spectral range is presented. The device includes an on-axis ellipsoidal collecting mirror with efficient illumination optics for small sampling areas of bulky body specimens. The optical design is supported by the results of a Monte Carlo simulation study of the reflectance characteristics of skin tissue. Because the results evolved from efforts to measure blood glucose noninvasively, the main emphasis is placed on the long-wavelength near-infrared range where sufficient penetration depth for radiation into tissue is still available. The accessory is applied for in vivo diffuse reflectance measurements.

Predicting ambient aerosol thermal-optical reflectance (TOR) measurements from infrared spectra: organic carbon

NASA Astrophysics Data System (ADS)

Dillner, A. M.; Takahama, S.

2015-03-01

Organic carbon (OC) can constitute 50% or more of the mass of atmospheric particulate matter. Typically, organic carbon is measured from a quartz fiber filter that has been exposed to a volume of ambient air and analyzed using thermal methods such as thermal-optical reflectance (TOR). Here, methods are presented that show the feasibility of using Fourier transform infrared (FT-IR) absorbance spectra from polytetrafluoroethylene (PTFE or Teflon) filters to accurately predict TOR OC. This work marks an initial step in proposing a method that can reduce the operating costs of large air quality monitoring networks with an inexpensive, non-destructive analysis technique using routinely collected PTFE filter samples which, in addition to OC concentrations, can concurrently provide information regarding the composition of organic aerosol. This feasibility study suggests that the minimum detection limit and errors (or uncertainty) of FT-IR predictions are on par with TOR OC such that evaluation of long-term trends and epidemiological studies would not be significantly impacted. To develop and test the method, FT-IR absorbance spectra are obtained from 794 samples from seven Interagency Monitoring of PROtected Visual Environment (IMPROVE) sites collected during 2011. Partial least-squares regression is used to calibrate sample FT-IR absorbance spectra to TOR OC. The FTIR spectra are divided into calibration and test sets by sampling site and date. The calibration produces precise and accurate TOR OC predictions of the test set samples by FT-IR as indicated by high coefficient of variation (R2; 0.96), low bias (0.02 μg m-3, the nominal IMPROVE sample volume is 32.8 m3), low error (0.08 μg m-3) and low normalized error (11%). These performance metrics can be achieved with various degrees of spectral pretreatment (e.g., including or excluding substrate contributions to the absorbances) and are comparable in precision to collocated TOR measurements. FT-IR spectra are also divided into calibration and test sets by OC mass and by OM / OC ratio, which reflects the organic composition of the particulate matter and is obtained from organic functional group composition; these divisions also leads to precise and accurate OC predictions. Low OC concentrations have higher bias and normalized error due to TOR analytical errors and artifact-correction errors, not due to the range of OC mass of the samples in the calibration set. However, samples with low OC mass can be used to predict samples with high OC mass, indicating that the calibration is linear. Using samples in the calibration set that have different OM / OC or ammonium / OC distributions than the test set leads to only a modest increase in bias and normalized error in the predicted samples. We conclude that FT-IR analysis with partial least-squares regression is a robust method for accurately predicting TOR OC in IMPROVE network samples - providing complementary information to the organic functional group composition and organic aerosol mass estimated previously from the same set of sample spectra (Ruthenburg et al., 2014).

Protective performances of two anti-graffiti treatments towards sulfite and sulfate formation in SO 2 polluted model environment

NASA Astrophysics Data System (ADS)

Carmona-Quiroga, Paula María; Panas, Itai; Svensson, Jan-Erik; Johansson, Lars-Gunnar; Blanco-Varela, María Teresa; Martínez-Ramírez, Sagrario

2010-11-01

Specific strategies for protection are being developed to counter both the staining and corrosive effects of polluted air in cities, as well as to allow for efficient removal of unwanted graffiti paintings. These protection strategies employ molecules with tailored functionalities, e.g. being hydrophobic, while maintaining porosity for molecular water vapour permeation. The present study employs SO 2 and water to probe the behaviors of two anti-graffiti treatments, a water-base fluoroalkylsiloxane ("Protectosil Antigraffiti" marketed by Degussa) and an organically modified silicate (Ormosil) synthesized from a polymer chain (polydimethyl siloxane, PDMS) and two network forming alkoxides (Zr propoxide and methyl triethoxy silane, MTES) dissolved in n-propanol, on five building materials, comprising limestone, aged lime mortar, hydrated cement mortar, granite, and brick material. The materials were exposed to a synthetic atmosphere for 20 h in a climate chamber, 0.78 ± 0.03 ppm of SO 2 and 95% RH. Diffuse reflectance Fourier transform infrared (DR-FTIR) spectra were registered before and after exposure in the climate chamber in the cases of both treated and untreated samples. DR-FTIR, scanning electron microscope (SEM) images and energy dispersive X-ray (EDX) analyses, suggest the anti-graffiti Ormosil to suppress formation of calcium sulfite hemihydrate (the primary initial product of the reaction of calcium compounds with SO 2 and water) on carbonate materials (limestone and lime mortar). In case of the granite, brick and cement mortar, Ormosil has a negligible influence on the SO 2 capture. While no sulfite formation was detected by DR-FTIR, gypsum is inferred to form due to metal oxides and minority compounds catalysed oxidation of sulfite to sulfate. In case of brick, this understanding finds support from SEM images as well as EDX. A priori presence of gypsum in hydrated cement mortars prevents positive identification by SEM. However, support for sulfur accumulation in hydrated cement mortar is provided by means of EDX. In case of a second anti-graffiti considered, Protectosil, no influence of the anti-graffiti treatment on the SO 2 uptake of any of the building materials was observed.

Photocatalytic reduction of CO2 with H2O to CH4 on Cu(I) supported TiO2 nanosheets with defective {001} facets.

PubMed

Zhu, Shuying; Liang, Shijing; Tong, Yuecong; An, Xiaohan; Long, Jinlin; Fu, Xianzhi; Wang, Xuxu

2015-04-21

Highly dispersed Cu2O clusters loaded on TiO2 nanosheets with dominant exposed {001} facets are prepared by a hydrothermal treatment followed by photodeposition. The physicochemical properties of the as-prepared samples are characterized carefully. The deposition position and chemical state of the Cu2O clusters are characterized by X-ray diffraction, transmission electron microscopy, UV-vis diffuse reflectance spectroscopy, EPR spectroscopy, and in situ CO-adsorbed FTIR spectroscopy, respectively. The results show that in situ Cu deposition leads to in situ formation of abundant oxygen vacancies (Vo) on the surface of the TiO2 nanosheets. Interestingly, the co-existence of Vo and Cu2O clusters could promote the photoactivity of CO2 reduction efficiently. The surface Vo play a significant role in the reduction of CO2. Meanwhile, the deposited Cu(I) species serve also as active sites for the formation of CH4, and then protect CH4 from degradation by generated oxidation species. For the photoreduction of CO2 to CH4, it is found that the content level of Cu2O has a significant influence on the activity. Cu-TiO2-1.0 shows the highest photocatalytic activity, which is over 30 times higher than that of the parent TiO2. This great enhancement of photocatalytic activity may be contributed by high CO2 adsorption capacity, high electron mobility, and high concentration of Vo. However, the effect of the surface area of the samples on the activity is negligible. All of this evidence is obtained by CO2-sorption, electrochemistry, in situ FTIR spectroscopy, in situ ERP techniques, etc. The reaction intermediates are detected by in situ FTIR spectroscopy. Finally, a probable mechanism is proposed based on the experimental results. It is hoped that our work could render one of the most effective strategies to achieve advanced properties over photofunctional materials for solar energy conversion of CO2.

Analysis of H2O in silicate glass using attenuated total reflectance (ATR) micro-FTIR spectroscopy

USGS Publications Warehouse

Lowenstern, Jacob B.; Pitcher, Bradley W.

2013-01-01

We present a calibration for attenuated total reflectance (ATR) micro-FTIR for analysis of H2O in hydrous glass. A Ge ATR accessory was used to measure evanescent wave absorption by H2O within hydrous rhyolite and other standards. Absorbance at 3450 cm−1 (representing total H2O or H2Ot) and 1630 cm−1 (molecular H2O or H2Om) showed high correlation with measured H2O in the glasses as determined by transmission FTIR spectroscopy and manometry. For rhyolite, wt%H2O=245(±9)×A3450-0.22(±0.03) and wt%H2Om=235(±11)×A1630-0.20(±0.03) where A3450 and A1630 represent the ATR absorption at the relevant infrared wavelengths. The calibration permits determination of volatiles in singly polished glass samples with spot size down to ~5 μm (for H2O-rich samples) and detection limits of ~0.1 wt% H2O. Basaltic, basaltic andesite and dacitic glasses of known H2O concentrations fall along a density-adjusted calibration, indicating that ATR is relatively insensitive to glass composition, at least for calc-alkaline glasses. The following equation allows quantification of H2O in silicate glasses that range in composition from basalt to rhyolite: wt%H2O=(ω×A3450/ρ)+b where ω = 550 ± 21, b = −0.19 ± 0.03, ρ = density, in g/cm3, and A3450 is the ATR absorbance at 3450 cm−1. The ATR micro-FTIR technique is less sensitive than transmission FTIR, but requires only a singly polished sample for quantitative results, thus minimizing time for sample preparation. Compared with specular reflectance, it is more sensitive and better suited for imaging of H2O variations in heterogeneous samples such as melt inclusions. One drawback is that the technique can damage fragile samples and we therefore recommend mounting of unknowns in epoxy prior to polishing. Our calibration should hold for any Ge ATR crystals with the same incident angle (31°). Use of a different crystal type or geometry would require measurement of several H2O-bearing standards to provide a crystal-specific calibration.

Rapid determination of free fatty acid content in waste deodorizer distillates using single bounce-attenuated total reflectance-FTIR spectroscopy.

PubMed

Naz, Saba; Sherazi, Sayed Tufail Hussain; Talpur, Farah N; Mahesar, Sarfaraz A; Kara, Huseyin

2012-01-01

A simple, rapid, economical, and environmentally friendly analytical method was developed for the quantitative assessment of free fatty acids (FFAs) present in deodorizer distillates and crude oils by single bounce-attenuated total reflectance-FTIR spectroscopy. Partial least squares was applied for the calibration model based on the peak region of the carbonyl group (C=O) from 1726 to 1664 cm(-1) associated with the FFAs. The proposed method totally avoided the use of organic solvents or costly standards and could be applied easily in the oil processing industry. The accuracy of the method was checked by comparison to a conventional standard American Oil Chemists' Society (AOCS) titrimetric procedure, which provided good correlation (R = 0.99980), with an SD of +/- 0.05%. Therefore, the proposed method could be used as an alternate to the AOCS titrimetric method for the quantitative determination of FFAs especially in deodorizer distillates.

Diffusion of hydrous species in model basaltic melt

NASA Astrophysics Data System (ADS)

Zhang, Li; Guo, Xuan; Wang, Qinxia; Ding, Jiale; Ni, Huaiwei

2017-10-01

Water diffusion in Fe-free model basaltic melt with up to 2 wt% H2O was investigated at 1658-1846 K and 1 GPa in piston-cylinder apparatus using both hydration and diffusion couple techniques. Diffusion profiles measured by FTIR are consistent with a model in which both molecular H2O (H2Om) and hydroxyl (OH) contribute to water diffusion. OH diffusivity is roughly 13% of H2Om diffusivity, showing little dependence on temperature or water concentration. Water diffusion is dominated by the motion of OH until total H2O (H2Ot) concentration reaches 1 wt%. The dependence of apparent H2Ot diffusivity on H2Ot concentration appears to be overestimated by a previous study on MORB melt, but H2Ot diffusivity at 1 wt% H2Ot in basaltic melt is still greater than those in rhyolitic to andesitic melts. The appreciable contribution of OH to water diffusion in basaltic melt can be explained by enhanced mobility of OH, probably associated with the development of free hydroxyl bonded with network-modifying cations, as well as higher OH concentration. Calculation based on the Nernst-Einstein equation demonstrates that OH may serve as an effective charge carrier in hydrous basaltic melt, which could partly account for the previously observed strong influence of water on electrical conductivity of basaltic melt.

Synthesis of Surface-Modified Iron Oxides for the Solvent-Free Recovery of Bacterial Bioactive Compound Prodigiosin and Its Algicidal Activity.

PubMed

Arivizhivendhan, K V; Mahesh, M; Boopathy, R; Patchaimurugan, K; Maharaja, P; Swarnalatha, S; Regina Mary, R; Sekaran, G

2016-09-15

Prodigiosin (PG) is a bioactive compound produced by several bacterial species. Currently, many technologies are being developed for the production of PG by fermentation processes. However, new challenges are being faced with regard to the production of PG in terms of the recovery and purification steps, owing to the labile nature of PG molecules and the cost of the purification steps. Conventional methods have limitations due to high cost, low reusability, and health hazards. Hence, the present investigation was focused on the development of surface-functionalized magnetic iron oxide ([Fe3O4]F) for solvent-free extraction of bioactive PG from the bacterial fermented medium. Fe3O4 was functionalized with diethanolamine and characterized by FT-IR, diffuse reflectance spectroscopy, thermogravimetric analysis, scanning electron microscopy, and confocal microscopy. The various process parameters, such as contact time, temperature, pH, and mass of Fe3O4, were optimized for the extraction of PG using functionalized Fe3O4. Instrumental analyses confirmed that the PG molecules were cross-linked with functional groups on [Fe3O4]F through van der Waals forces of attraction. PG extracted through Fe3O4 or [Fe3O4]F was separated from the fermentation medium by applying an external electromagnetic field and regenerated for successive reuse cycles. The purity of the extracted PG was characterized by high-performance liquid chromatography, FT-IR, and UV-visible spectroscopy. The iron oxide-diethanolamine-PG cross-linked ([Fe3O4]F-PG) composite matrix effectively deactivates harmful fouling by cyanobacterial growth in water-treatment plants. The present investigation provides the possibility of solvent-free extraction of bacterial bioactive PG from a fermented medium using functionalized magnetic iron oxide.

Biological approach to synthesize TiO2 nanoparticles using Aeromonas hydrophila and its antibacterial activity

NASA Astrophysics Data System (ADS)

Jayaseelan, Chidambaram; Rahuman, Abdul Abdul; Roopan, Selvaraj Mohana; Kirthi, Arivarasan Vishnu; Venkatesan, Jayachandran; Kim, Se-Kwon; Iyappan, Moorthy; Siva, Chinnadurai

2013-04-01

Nanosized materials have been an important subject in basic and applied sciences. A novel, low-cost, green and reproducible bacteria, Aeromonas hydrophila mediated biosynthesis of titanium dioxide nanoparticles (TiO2 NPs) was reported. The resulting nanoparticles were characterized by FTIR, XRD, AFM and FESEM with EDX. FTIR showed characteristic bands (1643 and 3430 cm-1) finds the role of carboxyl group Osbnd H stretching amine Nsbnd H stretch in the formation of TiO2 NPs. The XRD spectrum confirmed that the synthesized TiO2 NPs were in the form of nanocrystals, as evidenced by the peaks at 2θ values of 27.47°, 31.77°, 36.11°, 41.25°, 54.39°, 56.64° and 69.54° were identified as 110, 100, 101, 111, 211, 220 and 301 reflections, respectively. The crystallite sizes were calculated using Scherrer's formula applied to the major intense peaks and found to be the size of 40.50 nm. The morphological characterization was analyzed by FESEM and the analysis showed the NPs smooth shaped, spherical and uneven. GC-MS analysis showed the main compounds found in A. hydrophila were uric acid (2.95%), glycyl-L-glutamic acid (6.90%), glycyl-L-proline (74.41%) and l-Leucyl-d-leucine (15.74%). The potential glycyl-L-proline could have played an important role as a capping agent. A possible mechanism for the biosynthesis of TiO2 NPs has been proposed. The antibacterial activity of the synthesized TiO2 NPs was assessed by well diffusion method toward A. hydrophila, Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Streptococcus pyogenes and Enterococcus faecalis and showed effective inhibitory activity against S. aureus (33 mm) and S. pyogenes (31 mm).

Microwave combustion synthesis of Co1-xZnxFe2O4 (0⩽x⩽0.5): Structural, magnetic, optical and vibrational spectroscopic studies.

PubMed

Sundararajan, M; Kennedy, L John; Vijaya, J Judith; Aruldoss, Udaya

2015-04-05

Nanostructured pure and zinc doped cobalt ferrites (Co1-xZnxFe2O4 where x fraction ranging from 0 to 0.5) were prepared by microwave combustion method employing urea as a fuel. The nanostructured samples were characterized by using various instrumental techniques such as X-ray powder diffractometry, high resolution scanning electron microscopy, energy dispersive X-ray analysis, UV-visible diffuse reflectance spectroscopy, photoluminescence spectroscopy and Fourier transformed infrared (FT-IR) spectroscopy. Vibrating sample magnetometry at room temperature was recorded to study the magnetic behavior of the samples. X-ray analysis and the FT-IR spectroscopy revealed the formation of cobalt ferrite cubic spinel-type structure. The average crystallite sizes for the samples were in the range of 3.07-11.30 nm. The direct band gap (Eg) was estimated using Kubelka-Munk method and is obtained from the UV-vis spectra. The band gap value decreased with an increase in zinc fraction (2.56-2.17 eV). The violet and green emission observed in the photoluminescence spectra revealed that cobalt ferrites are governed by defect controlled processes. The elemental analysis of zinc doped cobalt ferrites were obtained from energy dispersive X-ray (EDX) analysis. From the magnetic measurements, it is observed that cobalt ferrite and zinc doped cobalt ferrite systems fall under the soft ferrite category. The saturation magnetization (Ms) value of undoped cobalt ferrite is 14.26 emu/g, and it has reached a maximum of 29.61 emu/g for Co0.7Zn0.3Fe2O4. Copyright © 2014 Elsevier B.V. All rights reserved.

Biological approach to synthesize TiO2 nanoparticles using Aeromonas hydrophila and its antibacterial activity.

PubMed

Jayaseelan, Chidambaram; Rahuman, Abdul Abdul; Roopan, Selvaraj Mohana; Kirthi, Arivarasan Vishnu; Venkatesan, Jayachandran; Kim, Se-Kwon; Iyappan, Moorthy; Siva, Chinnadurai

2013-04-15

Nanosized materials have been an important subject in basic and applied sciences. A novel, low-cost, green and reproducible bacteria, Aeromonas hydrophila mediated biosynthesis of titanium dioxide nanoparticles (TiO2 NPs) was reported. The resulting nanoparticles were characterized by FTIR, XRD, AFM and FESEM with EDX. FTIR showed characteristic bands (1643 and 3430 cm(-1)) finds the role of carboxyl group OH stretching amine NH stretch in the formation of TiO2 NPs. The XRD spectrum confirmed that the synthesized TiO2 NPs were in the form of nanocrystals, as evidenced by the peaks at 2θ values of 27.47°, 31.77°, 36.11°, 41.25°, 54.39°, 56.64° and 69.54° were identified as 110, 100, 101, 111, 211, 220 and 301 reflections, respectively. The crystallite sizes were calculated using Scherrer's formula applied to the major intense peaks and found to be the size of 40.50 nm. The morphological characterization was analyzed by FESEM and the analysis showed the NPs smooth shaped, spherical and uneven. GC-MS analysis showed the main compounds found in A. hydrophila were uric acid (2.95%), glycyl-L-glutamic acid (6.90%), glycyl-L-proline (74.41%) and L-Leucyl-D-leucine (15.74%). The potential glycyl-L-proline could have played an important role as a capping agent. A possible mechanism for the biosynthesis of TiO2 NPs has been proposed. The antibacterial activity of the synthesized TiO2 NPs was assessed by well diffusion method toward A. hydrophila, Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Streptococcus pyogenes and Enterococcus faecalis and showed effective inhibitory activity against S. aureus (33 mm) and S. pyogenes (31 mm). Copyright © 2013 Elsevier B.V. All rights reserved.

Hierarchical mesosilicalite nanoformulation integrated with cisplatin exhibits target-specific efficient anticancer activity

NASA Astrophysics Data System (ADS)

Jermy, B. Rabindran; Acharya, Sadananda; Ravinayagam, Vijaya; Alghamdi, Hajer Saleh; Akhtar, Sultan; Basuwaidan, Rehab S.

2018-04-01

Hierarchically structured zeolitic ZSM-5 and meso MCM-41 interlinked domain had an impeccable use as catalysis in many applications. The aim of the study was to develop a new drug delivery nanoformulation, specifically, cisplatin/mesosilicalite using top-down approach for cancer therapy. Hierarchical mesosilicalite with variable porosity was synthesized using alkaline molar solution (0.2 and 0.7 M NaOH) and was loaded with cisplatin through equilibrium adsorption technique. Physico-chemical properties of the nanoformulation (IAUM-56—Imam Abdulrahman Bin Faisal University Mesosilicalite-56) were characterized using X-ray diffraction, surface area analysis (BET), Fourier transformed infrared spectroscopy (FT-IR), diffuse reflectance UV-Vis spectroscopy, and transmission electron microscopy. Drug release study and anticancer activity were assayed on HeLa and MCF7 cancer cells using MTT assay. X-ray diffraction pattern showed interrelated meso- and microphases, while BET analysis revealed considerable mesoporosity formation with a remodulation of isotherm hysteresis indicating the presence of hierarchical pores. FT-IR showed the presence of nanozeolitic subunits into mesostructure with a band at about 550 cm-1. IAUM-56 demonstrated high cytotoxic activity against HeLa cancer cells with an LC50 of 0.02 mg/ml, MCF7 cancer cells with an LC50 of 0.05 mg/ml, and less toxic to normal fibroblast cells with an LC50 of approximately ten times higher at 0.5 mg/ml. Overall, IAUM-56 showed a high rate of sustained release of cisplatin imparting target specific cytotoxic effect against tumor cells with at least tenfold lower toxicity on normal fibroblast cells. Our nanoformulation has the potential use in cancer therapy as a targeted drug delivery system.

Comparative evaluation of bioactivity of crystalline trypsin for drying by Fourier-transformed infrared spectroscopy.

PubMed

Otsuka, Makoto; Fukui, Yuya; Ozaki, Yukihiro

2009-03-01

The purpose of this study was to evaluate the enzymatic stability of colloidal trypsin powder during heating in a solid-state by using Fourier transform infrared (FT-IR) spectra with chemoinformatics and generalized two-dimensional (2D) correlation spectroscopy. Colloidal crystalline trypsin powders were heated using differential scanning calorimetry. The enzymatic activity of trypsin was assayed by the kinetic degradation method. Spectra of 10 calibration sample sets were recorded three times with a FT-IR spectrometer. The maximum intensity at 1634cm(-1) of FT-IR spectra and enzymatic activity of trypsin decreased as the temperature increased. The FT-IR spectra of trypsin samples were analyzed by a principal component regression analysis (PCR). A plot of the calibration data obtained was made between the actual and predicted trypsin activity based on a two-component model with gamma(2)=0.962. On the other hand, a 2D method was applied to FT-IR spectra of heat-treated trypsin. The result was consistent with that of the chemoinformetrical method. The results for deactivation of colloidal trypsin powder by heat-treatment indicated that nano-structure of crystalline trypsin changed by heating reflecting that the beta-sheet was mainly transformed, since the peak at 1634cm(-1) decreased with dehydration. The FT-IR chemoinformetrical method allows for a solid-state quantitative analysis of the bioactivity of the bulk powder of trypsin during drying.

Fourier transform infrared spectroscopy imaging of live epithelial cancer cells under non-aqueous media.

PubMed

Soh, JunYi; Chueng, Adeline; Adio, Aminat; Cooper, Alan J; Birch, Brian R; Lwaleed, Bashir A

2013-04-01

Fourier transform infrared (FT-IR) imaging is increasingly being applied to biomedical specimens, but strong IR absorption by water complicates live cell imaging. This study investigates the viability of adherent epithelial cells maintained for short periods under mineral oils in order to facilitate live cell spectroscopy using FT-IR with subsequent imaging. The MGH-U1 urothelial or CaCo2 colorectal cancer cell lines were grown on plastic surfaces or mid-range infrared transparent windows. Medium in established cultures was replaced with paraffin mineral oil, or Fluorolube, for up to 2 h, and viability assessed by supravital staining. Drug handling characteristics were also assessed. Imaging of preparations was attempted by reflectance and transmission using a Varian FT-IR microscope. Cells covered by mineral oil remained viable for 2 h, with recovery into normal medium possible. MTT ((3-(4,5-dimethylthlazol-2-yl)-2,5-diphenyl tetrazolium) conversion to crystalline formazan and differential patterns of drug uptake were maintained. The combination of a calcium fluoride substrate, Fluorolube oil, and transmission optics proved best for spectroscopy. Spectral features were used to obtain images of live cells. The viability of cells overlaid with IR transparent oils was assessed as part of a technique to optimise conditions for FT-IR imaging. Images of untreated cells were obtained using both reflectance and transmission. This represents an effective means of imaging live cells by IR spectroscopy, and also means that imaging is not necessarily a terminal event. It also increases options for producing images based on real-time biochemistry in a range of in vitro experimental and 'optical biopsy' contexts.

Characterizing Aeroallergens by Infrared Spectroscopy of Fungal Spores and Pollen

PubMed Central

Zimmermann, Boris; Tkalčec, Zdenko; Mešić, Armin; Kohler, Achim

2015-01-01

Background Fungal spores and plant pollen cause respiratory diseases in susceptible individuals, such as asthma, allergic rhinitis and hypersensitivity pneumonitis. Aeroallergen monitoring networks are an important part of treatment strategies, but unfortunately traditional analysis is time consuming and expensive. We have explored the use of infrared spectroscopy of pollen and spores for an inexpensive and rapid characterization of aeroallergens. Methodology The study is based on measurement of spore and pollen samples by single reflectance attenuated total reflectance Fourier transform infrared spectroscopy (SR-ATR FTIR). The experimental set includes 71 spore (Basidiomycota) and 121 pollen (Pinales, Fagales and Poales) samples. Along with fresh basidiospores, the study has been conducted on the archived samples collected within the last 50 years. Results The spectroscopic-based methodology enables clear spectral differentiation between pollen and spores, as well as the separation of confamiliar and congeneric species. In addition, the analysis of the scattering signals inherent in the infrared spectra indicates that the FTIR methodology offers indirect estimation of morphology of pollen and spores. The analysis of fresh and archived spores shows that chemical composition of spores is well preserved even after decades of storage, including the characteristic taxonomy-related signals. Therefore, biochemical analysis of fungal spores by FTIR could provide economical, reliable and timely methodologies for improving fungal taxonomy, as well as for fungal identification and monitoring. This proof of principle study shows the potential for using FTIR as a rapid tool in aeroallergen studies. In addition, the presented method is ready to be immediately implemented in biological and ecological studies for direct measurement of pollen and spores from flowers and sporocarps. PMID:25867755

Picosecond dynamics of excited singlet states in organic microcrystals: Diffuse reflectance laser photolysis study

NASA Astrophysics Data System (ADS)

Ikeda, Noriaki; Koshioka, Masanori; Masuhara, Hiroshi; Yoshihara, Keitaro

1988-09-01

Absorption spectra and picosecond dynamics of the singlet exciton states of benzil and p-terphenyl in a microcrystal have been measured for the first time by analyzing the diffuse reflected spectra of the picosecond continuum.

Regression-based model of skin diffuse reflectance for skin color analysis

NASA Astrophysics Data System (ADS)

Tsumura, Norimichi; Kawazoe, Daisuke; Nakaguchi, Toshiya; Ojima, Nobutoshi; Miyake, Yoichi

2008-11-01

A simple regression-based model of skin diffuse reflectance is developed based on reflectance samples calculated by Monte Carlo simulation of light transport in a two-layered skin model. This reflectance model includes the values of spectral reflectance in the visible spectra for Japanese women. The modified Lambert Beer law holds in the proposed model with a modified mean free path length in non-linear density space. The averaged RMS and maximum errors of the proposed model were 1.1 and 3.1%, respectively, in the above range.

Light distribution modulated diffuse reflectance spectroscopy.

PubMed

Huang, Pin-Yuan; Chien, Chun-Yu; Sheu, Chia-Rong; Chen, Yu-Wen; Tseng, Sheng-Hao

2016-06-01

Typically, a diffuse reflectance spectroscopy (DRS) system employing a continuous wave light source would need to acquire diffuse reflectances measured at multiple source-detector separations for determining the absorption and reduced scattering coefficients of turbid samples. This results in a multi-fiber probe structure and an indefinite probing depth. Here we present a novel DRS method that can utilize a few diffuse reflectances measured at one source-detector separation for recovering the optical properties of samples. The core of innovation is a liquid crystal (LC) cell whose scattering property can be modulated by the bias voltage. By placing the LC cell between the light source and the sample, the spatial distribution of light in the sample can be varied as the scattering property of the LC cell modulated by the bias voltage, and this would induce intensity variation of the collected diffuse reflectance. From a series of Monte Carlo simulations and phantom measurements, we found that this new light distribution modulated DRS (LDM DRS) system was capable of accurately recover the absorption and scattering coefficients of turbid samples and its probing depth only varied by less than 3% over the full bias voltage variation range. Our results suggest that this LDM DRS platform could be developed to various low-cost, efficient, and compact systems for in-vivo superficial tissue investigation.

Design and validation of a diffuse reflectance and spectroscopic microendoscope with poly(dimethylsioxane)-based phantoms

PubMed Central

Greening, Gage J.; Powless, Amy J.; Hutcheson, Joshua A.; Prieto, Sandra P.; Majid, Aneeka A.; Muldoon, Timothy J.

2015-01-01

Many cases of epithelial cancer originate in basal layers of tissue and are initially undetected by conventional microendoscopy techniques. We present a bench-top, fiber-bundle microendoscope capable of providing high resolution images of surface cell morphology. Additionally, the microendoscope has the capability to interrogate deeper into material by using diffuse reflectance and broadband diffuse reflectance spectroscopy. The purpose of this multimodal technique was to overcome the limitation of microendoscopy techniques that are limited to only visualizing morphology at the tissue or cellular level. Using a custom fiber optic probe, high resolution surface images were acquired using topical proflavine to fluorescently stain non-keratinized epithelia. A 635 nm laser coupled to a 200 μm multimode fiber delivers light to the sample and the diffuse reflectance signal was captured by a 1 mm image guide fiber. Finally, a tungsten-halogen lamp coupled to a 200 μm multimode fiber delivers broadband light to the sample to acquire spectra at source-detector separations of 374, 729, and 1051 μm. To test the instrumentation, a high resolution proflavine-induced fluorescent image of resected healthy mouse colon was acquired. Additionally, five monolayer poly(dimethylsiloxane)-based optical phantoms with varying absorption and scattering properties were created to acquire diffuse reflectance profiles and broadband spectra. PMID:25983372

Light distribution modulated diffuse reflectance spectroscopy

PubMed Central

Huang, Pin-Yuan; Chien, Chun-Yu; Sheu, Chia-Rong; Chen, Yu-Wen; Tseng, Sheng-Hao

2016-01-01

Typically, a diffuse reflectance spectroscopy (DRS) system employing a continuous wave light source would need to acquire diffuse reflectances measured at multiple source-detector separations for determining the absorption and reduced scattering coefficients of turbid samples. This results in a multi-fiber probe structure and an indefinite probing depth. Here we present a novel DRS method that can utilize a few diffuse reflectances measured at one source-detector separation for recovering the optical properties of samples. The core of innovation is a liquid crystal (LC) cell whose scattering property can be modulated by the bias voltage. By placing the LC cell between the light source and the sample, the spatial distribution of light in the sample can be varied as the scattering property of the LC cell modulated by the bias voltage, and this would induce intensity variation of the collected diffuse reflectance. From a series of Monte Carlo simulations and phantom measurements, we found that this new light distribution modulated DRS (LDM DRS) system was capable of accurately recover the absorption and scattering coefficients of turbid samples and its probing depth only varied by less than 3% over the full bias voltage variation range. Our results suggest that this LDM DRS platform could be developed to various low-cost, efficient, and compact systems for in-vivo superficial tissue investigation. PMID:27375931

Influence of Acoustic Reflection on the Inertial Cavitation Dose in a Franz Diffusion Cell.

PubMed

Robertson, Jeremy; Becker, Sid

2018-05-01

The exposure of the skin to low-frequency (20-100 kHz) ultrasound is a well-established method for increasing its permeability to drugs. The mechanism underlying this permeability increase has been found to be inertial cavitation within the coupling fluid. This study investigated the influence of acoustic reflections on the inertial cavitation dose during low-frequency (20 kHz) exposure in an in vitro skin sonoporation setup. This investigation was conducted using a passive cavitation detector that monitored the broadband noise emission within a modified Franz diffusion cell. Two versions of this diffusion cell were employed. One version had acoustic conditions that were similar to those of a standard Franz diffusion cell surrounded by air, whereas the second was designed to greatly reduce the acoustic reflection by submerging the diffusion cell in a water bath. The temperature of the coupling fluid in both setups was controlled using a novel thermoelectric cooling system. At an ultrasound intensity of 13.6 W/cm 2 , the median inertial cavitation dose when the acoustic reflections were suppressed, was found to be only about 15% lower than when reflections were not suppressed. Copyright © 2018 World Federation for Ultrasound in Medicine and Biology. Published by Elsevier Inc. All rights reserved.

Spectrophotometric Method for Differentiation of Human Skin Melanoma. II. Diagnostic Characteristics

NASA Astrophysics Data System (ADS)

Petruk, V. G.; Ivanov, A. P.; Kvaternyuk, S. M.; Barunb, V. V.

2016-05-01

Experimental data on the spectral dependences of the optical diffuse reflection coefficient for skin from different people with melanoma or nevus are presented in the form of the probability density of the diffuse reflection coefficient for the corresponding pigmented lesions. We propose a noninvasive technique for differentiating between malignant and benign tumors, based on measuring the diffuse reflection coefficient for a specific patient and comparing the value obtained with a pre-set threshold. If the experimental result is below the threshold, then it is concluded that the person has melanoma; otherwise, no melanoma is present. As an example, we consider the wavelength 870 nm. We determine the risk of malignant transformation of a nevus (its transition to melanoma) for different measured diffuse reflection coefficients. We have studied the errors in the method, its operating characteristics and probability characteristics as the threshold diffuse reflection coefficient is varied. We find that the diagnostic confidence, sensitivity, specificity, and effectiveness (accuracy) parameters are maximum (>0.82) for a threshold of 0.45-0.47. The operating characteristics for the proposed technique exceed the corresponding parameters for other familiar optical approaches to melanoma diagnosis. Its distinguishing feature is operation at only one wavelength, and consequently implementation of the experimental technique is simplified and made less expensive.

Hyperspectral diffuse reflectance for determination of the optical properties of milk and fruit and vegetable juices

NASA Astrophysics Data System (ADS)

Qin, Jianwei; Lu, Renfu

2005-11-01

Absorption and reduced scattering coefficients are two fundamental optical properties for turbid biological materials. This paper presents the technique and method of using hyperspectral diffuse reflectance for fast determination of the optical properties of fruit and vegetable juices and milks. A hyperspectral imaging system was used to acquire spatially resolved steady-state diffuse reflectance over the spectral region between 530 and 900 nm from a variety of fruit and vegetable juices (citrus, grapefruit, orange, and vegetable) and milks with different fat levels (full, skim and mixed). The system collected diffuse reflectance in the source-detector separation range from 1.1 to 10.0 mm. The hyperspectral reflectance data were analyzed by using a diffusion theory model for semi-infinite homogeneous media. The absorption and reduced scattering coefficients of the fruit and vegetable juices and milks were extracted by inverse algorithms from the scattering profiles for wavelengths of 530-900 nm. Values of the absorption and reduced scattering coefficient at 650 nm were highly correlated to the fat content of the milk samples with the correlation coefficient of 0.990 and 0.989, respectively. The hyperspectral imaging technique can be extended to the measurement of other liquid and solid foods in which light scattering is dominant.

Design and validation of a diffuse reflectance and spectroscopic microendoscope with poly(dimethylsiloxane)-based phantoms

NASA Astrophysics Data System (ADS)

Greening, Gage J.; Powless, Amy J.; Hutcheson, Joshua A.; Prieto, Sandra P.; Majid, Aneeka A.; Muldoon, Timothy J.

2015-03-01

Many cases of epithelial cancer originate in basal layers of tissue and are initially undetected by conventional microendoscopy techniques. We present a bench-top, fiber-bundle microendoscope capable of providing high resolution images of surface cell morphology. Additionally, the microendoscope has the capability to interrogate deeper into material by using diffuse reflectance and broadband diffuse reflectance spectroscopy. The purpose of this multimodal technique was to overcome the limitation of microendoscopy techniques that are limited to only visualizing morphology at the tissue or cellular level. Using a custom fiber optic probe, high resolution surface images were acquired using topical proflavine to fluorescently stain non-keratinized epithelia. A 635 nm laser coupled to a 200 μm multimode fiber delivers light to the sample and the diffuse reflectance signal was captured by a 1 mm image guide fiber. Finally, a tungsten-halogen lamp coupled to a 200 μm multimode fiber delivers broadband light to the sample to acquire spectra at source-detector separations of 374, 729, and 1051 μm. To test the instrumentation, a high resolution proflavine-induced fluorescent image of resected healthy mouse colon was acquired. Additionally, five monolayer poly(dimethylsiloxane)-based optical phantoms with varying absorption and scattering properties were created to acquire diffuse reflectance profiles and broadband spectra.

T-dependence of the vibrational dynamics of IBP/diME-β-CD in solid state: A FT-IR spectral and quantum chemical study

NASA Astrophysics Data System (ADS)

Crupi, V.; Guella, G.; Majolino, D.; Mancini, I.; Rossi, B.; Stancanelli, R.; Venuti, V.; Verrocchio, P.; Viliani, G.

2010-05-01

Solid inclusion complex of the non-steroidal anti-inflammatory drug Ibuprofen (IBP, (2-[4-(2-methylpropyl)phenyl]-propanoic acid) with (2,6-dimethyl)-β-cyclodextrin (diME-β-CD) has been investigated by Fourier transform infrared spectroscopy in attenuated total reflectance geometry (FTIR-ATR spectroscopy) and numerical simulation. The complexation-induced changes in the FTIR-ATR spectrum of IBP have been interpreted by comparison with the theoretical vibrational wavenumbers and IR intensities of dimeric structures of IBP, derived from symmetric hydrogen bonding of the two carboxylic groups, computed by using Density Functional Theory (DFT) calculations. From temperature-dependent studies, the enthalpy change ΔH associated with the binding of IBP with diME-β-CD for 1:1 stoichiometry, in solid phase, has been estimated.

NIST High Accuracy Reference Reflectometer-Spectrophotometer

PubMed Central

Proctor, James E.; Yvonne Barnes, P.

1996-01-01

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

Wavelength Coded Image Transmission and Holographic Optical Elements.

DTIC Science & Technology

1984-08-20

system has been designed and built for transmitting images of diffusely reflecting objects through optical fibers and displaying those images at a...passive components at the end of a fiber-optic designed to transmit high-resolution images of diffusely imaging system as described in this paper... designing a system for viewing diffusely reflecting The authors are with University of Minnesota. Electrical Engi- objects, one must consider that a

Measurement and Interpretation of Diffuse Scattering in X-Ray Diffraction for Macromolecular Crystallography

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

Wall, Michael E.

X-ray diffraction from macromolecular crystals includes both sharply peaked Bragg reflections and diffuse intensity between the peaks. The information in Bragg scattering reflects the mean electron density in the unit cells of the crystal. The diffuse scattering arises from correlations in the variations of electron density that may occur from one unit cell to another, and therefore contains information about collective motions in proteins.

To See the World in a Grain of Sand: Recognizing the Origin of Sand Specimens by Diffuse Reflectance Infrared Fourier Transform Spectroscopy and Multivariate Exploratory Data Analysis

ERIC Educational Resources Information Center

Pezzolo, Alessandra De Lorenzi

2011-01-01

The diffuse reflectance infrared Fourier transform (DRIFT) spectra of sand samples exhibit features reflecting their composition. Basic multivariate analysis (MVA) can be used to effectively sort subsets of homogeneous specimens collected from nearby locations, as well as pointing out similarities in composition among sands of different origins.…

[The study of aluminium diffuser calibration in the UV].

PubMed

Li, Cong; Wang, Yong-Mei; Zhang, Zhong-Mou

2008-04-01

A bi-directional reflectance distribution function (BRDF) measurement setup in the ultraviolet spectral range was established. The BRDF of the aluminium diffusers at a given orientation was measured. The relative accuracy of the BRDF measurement is better than 2.5%. The hemispheric reflectance of the aluminium diffusers was measured in the wavelength range from 250 to 650 nm. It increases with the wavelength, and changes about 6% from 300 to 360 nm. It decreases with the time. Since the diffuser was made (about one year ago), from 250 to 300 nm, the peak decrease in the hemispheric reflectance can reach 2.6%, and the average decrease is 1.5%. From 300 to 360 nm, it has an average decrease of 0.9% decrease, and 0.8% when wavelength is longer than 360 nm.

Spectral and geometrical variation of the bidirectional reflectance distribution function of diffuse reflectance standards.

PubMed

Ferrero, Alejandro; Rabal, Ana María; Campos, Joaquín; Pons, Alicia; Hernanz, María Luisa

2012-12-20

A study on the variation of the spectral bidirectional reflectance distribution function (BRDF) of four diffuse reflectance standards (matte ceramic, BaSO(4), Spectralon, and white Russian opal glass) is accomplished through this work. Spectral BRDF measurements were carried out and, using principal components analysis, its spectral and geometrical variation respect to a reference geometry was assessed from the experimental data. Several descriptors were defined in order to compare the spectral BRDF variation of the four materials.

Comparison of the Radiative Two-Flux and Diffusion Approximations

NASA Technical Reports Server (NTRS)

Spuckler, Charles M.

2006-01-01

Approximate solutions are sometimes used to determine the heat transfer and temperatures in a semitransparent material in which conduction and thermal radiation are acting. A comparison of the Milne-Eddington two-flux approximation and the diffusion approximation for combined conduction and radiation heat transfer in a ceramic material was preformed to determine the accuracy of the diffusion solution. A plane gray semitransparent layer without a substrate and a non-gray semitransparent plane layer on an opaque substrate were considered. For the plane gray layer the material is semitransparent for all wavelengths and the scattering and absorption coefficients do not vary with wavelength. For the non-gray plane layer the material is semitransparent with constant absorption and scattering coefficients up to a specified wavelength. At higher wavelengths the non-gray plane layer is assumed to be opaque. The layers are heated on one side and cooled on the other by diffuse radiation and convection. The scattering and absorption coefficients were varied. The error in the diffusion approximation compared to the Milne-Eddington two flux approximation was obtained as a function of scattering coefficient and absorption coefficient. The percent difference in interface temperatures and heat flux through the layer obtained using the Milne-Eddington two-flux and diffusion approximations are presented as a function of scattering coefficient and absorption coefficient. The largest errors occur for high scattering and low absorption except for the back surface temperature of the plane gray layer where the error is also larger at low scattering and low absorption. It is shown that the accuracy of the diffusion approximation can be improved for some scattering and absorption conditions if a reflectance obtained from a Kubelka-Munk type two flux theory is used instead of a reflection obtained from the Fresnel equation. The Kubelka-Munk reflectance accounts for surface reflection and radiation scattered back by internal scattering sites while the Fresnel reflection only accounts for surface reflections.

In vivo burn diagnosis by camera-phone diffuse reflectance laser speckle detection.

PubMed

Ragol, S; Remer, I; Shoham, Y; Hazan, S; Willenz, U; Sinelnikov, I; Dronov, V; Rosenberg, L; Bilenca, A

2016-01-01

Burn diagnosis using laser speckle light typically employs widefield illumination of the burn region to produce two-dimensional speckle patterns from light backscattered from the entire irradiated tissue volume. Analysis of speckle contrast in these time-integrated patterns can then provide information on burn severity. Here, by contrast, we use point illumination to generate diffuse reflectance laser speckle patterns of the burn. By examining spatiotemporal fluctuations in these time-integrated patterns along the radial direction from the incident point beam, we show the ability to distinguish partial-thickness burns in a porcine model in vivo within the first 24 hours post-burn. Furthermore, our findings suggest that time-integrated diffuse reflectance laser speckle can be useful for monitoring burn healing over time post-burn. Unlike conventional diffuse reflectance laser speckle detection systems that utilize scientific or industrial-grade cameras, our system is designed with a camera-phone, demonstrating the potential for burn diagnosis with a simple imager.

In vivo burn diagnosis by camera-phone diffuse reflectance laser speckle detection

PubMed Central

Ragol, S.; Remer, I.; Shoham, Y.; Hazan, S.; Willenz, U.; Sinelnikov, I.; Dronov, V.; Rosenberg, L.; Bilenca, A.

2015-01-01

Burn diagnosis using laser speckle light typically employs widefield illumination of the burn region to produce two-dimensional speckle patterns from light backscattered from the entire irradiated tissue volume. Analysis of speckle contrast in these time-integrated patterns can then provide information on burn severity. Here, by contrast, we use point illumination to generate diffuse reflectance laser speckle patterns of the burn. By examining spatiotemporal fluctuations in these time-integrated patterns along the radial direction from the incident point beam, we show the ability to distinguish partial-thickness burns in a porcine model in vivo within the first 24 hours post-burn. Furthermore, our findings suggest that time-integrated diffuse reflectance laser speckle can be useful for monitoring burn healing over time post-burn. Unlike conventional diffuse reflectance laser speckle detection systems that utilize scientific or industrial-grade cameras, our system is designed with a camera-phone, demonstrating the potential for burn diagnosis with a simple imager. PMID:26819831

Polarization properties and microfacet-based modelling of white, grey and coloured matte diffuse reflection standards

NASA Astrophysics Data System (ADS)

Quast, T.; Schirmacher, A.; Hauer, K.-O.; Koo, A.

2018-02-01

To elucidate the influence of polarization in diffuse reflectometry, we performed a series of measurements in several bidirectional geometries and determined the Stokes parameters of the diffusely reflected radiation. Different types of matte reflection standards were used, including several common white standards and ceramic colour standards. The dependence of the polarization on the sample type, wavelength and geometry have been studied systematically, the main influence factors have been identified: The effect is largest at large angles of incidence or detection and at wavelengths where the magnitude of the reflectance is small. The results for the colour standards have been modelled using a microfacet-based reflection theory which is derived from the well-known model of Torrance and Sparrow. Although the theory is very simple and only has three free parameters, the agreement with the measured data is very good, all essential features of the data can be reproduced by the model.

Validation of ATR FT-IR to identify polymers of plastic marine debris, including those ingested by marine organisms

USGS Publications Warehouse

Jung, Melissa R.; Horgen, F. David; Orski, Sara V.; Rodriguez, Viviana; Beers, Kathryn L.; Balazs, George H.; Jones, T. Todd; Work, Thierry M.; Brignac, Kayla C.; Royer, Sarah-Jeanne; Hyrenbach, David K.; Jensen, Brenda A.; Lynch, Jennifer M.

2018-01-01

Polymer identification of plastic marine debris can help identify its sources, degradation, and fate. We optimized and validated a fast, simple, and accessible technique, attenuated total reflectance Fourier transform infrared spectroscopy (ATR FT-IR), to identify polymers contained in plastic ingested by sea turtles. Spectra of consumer good items with known resin identification codes #1–6 and several #7 plastics were compared to standard and raw manufactured polymers. High temperature size exclusion chromatography measurements confirmed ATR FT-IR could differentiate these polymers. High-density (HDPE) and low-density polyethylene (LDPE) discrimination is challenging but a clear step-by-step guide is provided that identified 78% of ingested PE samples. The optimal cleaning methods consisted of wiping ingested pieces with water or cutting. Of 828 ingested plastics pieces from 50 Pacific sea turtles, 96% were identified by ATR FT-IR as HDPE, LDPE, unknown PE, polypropylene (PP), PE and PP mixtures, polystyrene, polyvinyl chloride, and nylon.

Rapid prediction of phenolic compounds and antioxidant activity of Sudanese honey using Raman and Fourier transform infrared (FT-IR) spectroscopy.

PubMed

Tahir, Haroon Elrasheid; Xiaobo, Zou; Zhihua, Li; Jiyong, Shi; Zhai, Xiaodong; Wang, Sheng; Mariod, Abdalbasit Adam

2017-07-01

Fourier transform infrared with attenuated total reflectance (FTIR-ATR) and Raman spectroscopy combined with partial least square regression (PLSR) were applied for the prediction of phenolic compounds and antioxidant activity in honey. Standards of catechin, syringic, vanillic, and chlorogenic acids were used for the identification and quantification of the individual phenolic compounds in six honey varieties using HPLC-DAD. Total antioxidant activity (TAC) and ferrous chelating capacity were measured spectrophotometrically. For the establishment of PLSR model, Raman spectra with Savitzky-Golay smoothing in wavenumber region 1500-400cm -1 was used while for FTIR-ATR the wavenumber regions of 1800-700 and 3000-2800cm -1 with multiplicative scattering correction (MSC) and Savitzky-Golay smoothing were used. The determination coefficients (R 2 ) were ranged from 0.9272 to 0.9992 for Raman while from 0.9461 to 0.9988 for FTIT-ART. The FTIR-ATR and Raman demonstrated to be simple, rapid and nondestructive methods to quantify phenolic compounds and antioxidant activities in honey. Copyright © 2017 Elsevier Ltd. All rights reserved.

The bioscouring performance of four polygalacturonase enzymes

USDA-ARS?s Scientific Manuscript database

Fourier Transform Infrared Attenuated Total Reflectance (FTIR-ATR) analyses of greige cotton fabrics bioscoured with a combination of ultrasound and endo- and exo-polygalacturonase enzymes obtained from Rhizopus sp. fungi were used in a fractional factorial design experiment to examine their perform...

Quantitative assessment of copper proteinates used as animal feed additives using ATR-FTIR spectroscopy and powder X-ray diffraction (PXRD) analysis.

PubMed

Cantwell, Caoimhe A; Byrne, Laurann A; Connolly, Cathal D; Hynes, Michael J; McArdle, Patrick; Murphy, Richard A

2017-08-01

The aim of the present work was to establish a reliable analytical method to determine the degree of complexation in commercial metal proteinates used as feed additives in the solid state. Two complementary techniques were developed. Firstly, a quantitative attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopic method investigated modifications in vibrational absorption bands of the ligand on complex formation. Secondly, a powder X-ray diffraction (PXRD) method to quantify the amount of crystalline material in the proteinate product was developed. These methods were developed in tandem and cross-validated with each other. Multivariate analysis (MVA) was used to develop validated calibration and prediction models. The FTIR and PXRD calibrations showed excellent linearity (R 2  > 0.99). The diagnostic model parameters showed that the FTIR and PXRD methods were robust with a root mean square error of calibration RMSEC ≤3.39% and a root mean square error of prediction RMSEP ≤7.17% respectively. Comparative statistics show excellent agreement between the MVA packages assessed and between the FTIR and PXRD methods. The methods can be used to determine the degree of complexation in complexes of both protein hydrolysates and pure amino acids.

Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) in the discrimination of normal and oral cancer blood plasma

NASA Astrophysics Data System (ADS)

Pachaiappan, Rekha; Prakasarao, Aruna; Singaravelu, Ganesan

2017-02-01

Oral cancer is the most frequent type of cancer that occurs with 75000 to 80000 new cases reported every year in India. The carcinogens from tobacco and related products are the main cause for the oral cancer. ATR-FTIR method is label free, fast and cost-effective diagnostic method would allow for rapid diagnostic results in earlier stages by the minimal chemical changes occur in the biological metabolites available in the blood plasma. The present study reports the use of ATR-FTIR data with advanced statistical model (LDA-ANN) in the diagnosis of oral cancer from normal with better accuracy. The infrared spectra were acquired on ATR-FTIR Jasco spectrophotometer at 4 cm-1 resolution, 30 scans, in the 1800-900 cm-1 spectral range. Each sample had 5 spectra recorded from each blood plasma sample. The spectral data were routed through the multilayer perception of artificial neural network to evaluate for the statistical efficacy. Among the spectral data it was found that amide II (1486 cm-1) and lipid (1526 cm-1) affords about 90 % in the discrimination between groups using LDA. These preliminary results indicate that ATR-FTIR is useful to differentiate normal subject from oral cancer patients using blood plasma.

Discrimination of organic coffee via Fourier transform infrared-photoacoustic spectroscopy.

PubMed

Gordillo-Delgado, Fernando; Marín, Ernesto; Cortés-Hernández, Diego Mauricio; Mejía-Morales, Claudia; García-Salcedo, Angela Janet

2012-08-30

Procedures for the evaluation of the origin and quality of ground and roasted coffee are constantly needed for the associated industry due to complexity of the related market. Conventional Fourier transform infrared (FTIR) spectroscopy can be used for detecting changes in functional groups of compounds, such as coffee. However, dispersion, reflection and non-homogeneity of the sample matrix can cause problems resulting in low spectral quality. On the other hand, sample preparation frequently takes place in a destructive way. To overcome these difficulties, in this work a photoacoustic cell has been adapted as a detector in a FTIR spectrophotometer to perform a study of roasted and ground coffee from three varieties of Coffea arabica grown by organic and conventional methods. Comparison between spectra of coffee recorded by FTIR-photoacoustic spectrometry (PAS) and by FTIR spectrophotometry showed a better resolution of the former method, which, aided by principal components analysis, allowed the identification of some absorption bands that allow the discrimination between organic and conventional coffee. The results obtained provide information about the spectral behavior of coffee powder which can be useful for establishing discrimination criteria. It has been demonstrated that FTIR-PAS can be a useful experimental tool for the characterization of coffee. Copyright © 2012 Society of Chemical Industry.

Artificial neural networks for retrieving absorption and reduced scattering spectra from frequency-domain diffuse reflectance spectroscopy at short source-detector separation

PubMed Central

Chen, Yu-Wen; Chen, Chien-Chih; Huang, Po-Jung; Tseng, Sheng-Hao

2016-01-01

Diffuse reflectance spectroscopy (DRS) based on the frequency-domain (FD) technique has been employed to investigate the optical properties of deep tissues such as breast and brain using source to detector separation up to 40 mm. Due to the modeling and system limitations, efficient and precise determination of turbid sample optical properties from the FD diffuse reflectance acquired at a source-detector separation (SDS) of around 1 mm has not been demonstrated. In this study, we revealed that at SDS of 1 mm, acquiring FD diffuse reflectance at multiple frequencies is necessary for alleviating the influence of inevitable measurement uncertainty on the optical property recovery accuracy. Furthermore, we developed artificial neural networks (ANNs) trained by Monte Carlo simulation generated databases that were capable of efficiently determining FD reflectance at multiple frequencies. The ANNs could work in conjunction with a least-square optimization algorithm to rapidly (within 1 second), accurately (within 10%) quantify the sample optical properties from FD reflectance measured at SDS of 1 mm. In addition, we demonstrated that incorporating the steady-state apparatus into the FD DRS system with 1 mm SDS would enable obtaining broadband absorption and reduced scattering spectra of turbid samples in the wavelength range from 650 to 1000 nm. PMID:27446671

SeaWiFS long-term solar diffuser reflectance trend analysis

NASA Astrophysics Data System (ADS)

Eplee, Robert E., Jr.; Patt, Frederick S.; Barnes, Robert A.; McClain, Charles R.

2006-08-01

The NASA Ocean Biology Processing Group's Calibration and Validation (Cal/Val) Team implemented daily solar calibrations of SeaWiFS to look for step-function changes in the instrument response and has used these calibrations to supplement the monthly lunar calibrations in monitoring the radiometric stability of SeaWiFS during its first year of on-orbit operations. The Team has undertaken an analysis of the mission-long solar calibration time series, with the lunar-derived radiometric corrections over time applied, to assess the long-term degradation of the solar diffuser reflectance over nine years on orbit. The SeaWiFS diffuser is an aluminum plate coated with YB71 paint. The bidirectional reflectance distribution function of the diffuser was not fully characterized before launch, so the Cal/Val Team has implemented a regression of the solar incidence angles and the drift in the node of the satellite's orbit against the diffuser time series to correct for solar incidence angle effects. An exponential function with a time constant of 200 days yields the best fit to the diffuser time series. The decrease in diffuser reflectance over the mission is wavelength-dependent, ranging from 9% in the blue (412 nm) to 5% in the red and near infrared (670-865 nm). The degradation of diffuser reflctance is similar to that observed for SeaWiFS radiometric response itself from lunar calibration time series for bands 1-5 (412-555 nm), though the magnitude of the change is four times larger for the diffuser. Evidently, the same optical degradation process has affected both the telescope optics and the solar diffuser in the blue and green. The Cal/Val Team has developed a methodology for computing the signal-to-noise ratio (SNR) for SeaWiFS on orbit from the diffuser time series. The on-orbit change in the SNR for each band over the nine-year mission is less than 7%. The on-orbit performance of the SeaWiFS solar diffuser should offer insight into the long-term on-orbit performance of solar diffusers on other instruments, such as MODIS, VIIRS, and ABI.

Determination of Structural and Morphological Parameters of Human Bulbar Conjunctiva from Optical Diffuse Reflectance Spectra

NASA Astrophysics Data System (ADS)

Lisenko, S. A.; Firago, V. A.; Kugeiko, M. M.; Kubarko, A. I.

2016-09-01

We have developed a method for on-the-fl y retrieval of the volume concentration of blood vessels, the average diameter of the blood vessels, the blood oxygenation level, and the molar concentrations of chromophores in the bulbar conjunctiva from its diffuse reflectance spectra, measured when the radiation delivery and detection channels are spatially separated. The relationship between the diffuse reflectance spectrum of the conjunctiva and its unknown parameters is described in terms of an analytical model, constructed on the basis of a highly accurate approximation analog of the Monte Carlo method. We have studied the effect of localization of hemoglobin in erythrocytes and localization of erythrocytes in the blood vessels on the power of the retrieval of structural and morphological parameters for the conjunctiva. We developed a device for obtaining video images of the conjunctiva and contactless measurements of its diffuse reflectance spectrum. By comparing simulated diffuse reflectance spectra of the conjunctiva with the experimental measurements, we established a set of chromophores which must be taken into account in the model for reproducing the experimental data within the measurement error. We observed absorption bands for neuroglobin in the experimental spectra, and provided a theoretical basis for the possibility of determining its absolute concentrations in the conjunctiva. We have shown that our method can detect low bilirubin concentrations in blood.

Parameterization and sensitivity analyses of a radiative transfer model for remote sensing plant canopies

NASA Astrophysics Data System (ADS)

Hall, Carlton Raden

A major objective of remote sensing is determination of biochemical and biophysical characteristics of plant canopies utilizing high spectral resolution sensors. Canopy reflectance signatures are dependent on absorption and scattering processes of the leaf, canopy properties, and the ground beneath the canopy. This research investigates, through field and laboratory data collection, and computer model parameterization and simulations, the relationships between leaf optical properties, canopy biophysical features, and the nadir viewed above-canopy reflectance signature. Emphasis is placed on parameterization and application of an existing irradiance radiative transfer model developed for aquatic systems. Data and model analyses provide knowledge on the relative importance of leaves and canopy biophysical features in estimating the diffuse absorption a(lambda,m-1), diffuse backscatter b(lambda,m-1), beam attenuation alpha(lambda,m-1), and beam to diffuse conversion c(lambda,m-1 ) coefficients of the two-flow irradiance model. Data sets include field and laboratory measurements from three plant species, live oak (Quercus virginiana), Brazilian pepper (Schinus terebinthifolius) and grapefruit (Citrus paradisi) sampled on Cape Canaveral Air Force Station and Kennedy Space Center Florida in March and April of 1997. Features measured were depth h (m), projected foliage coverage PFC, leaf area index LAI, and zenith leaf angle. Optical measurements, collected with a Spectron SE 590 high sensitivity narrow bandwidth spectrograph, included above canopy reflectance, internal canopy transmittance and reflectance and bottom reflectance. Leaf samples were returned to laboratory where optical and physical and chemical measurements of leaf thickness, leaf area, leaf moisture and pigment content were made. A new term, the leaf volume correction index LVCI was developed and demonstrated in support of model coefficient parameterization. The LVCI is based on angle adjusted leaf thickness Ltadj, LAI, and h (m). Its function is to translate leaf level estimates of diffuse absorption and backscatter to the canopy scale allowing the leaf optical properties to directly influence above canopy estimates of reflectance. The model was successfully modified and parameterized to operate in a canopy scale and a leaf scale mode. Canopy scale model simulations produced the best results. Simulations based on leaf derived coefficients produced calculated above canopy reflectance errors of 15% to 18%. A comprehensive sensitivity analyses indicated the most important parameters were beam to diffuse conversion c(lambda, m-1), diffuse absorption a(lambda, m-1), diffuse backscatter b(lambda, m-1), h (m), Q, and direct and diffuse irradiance. Sources of error include the estimation procedure for the direct beam to diffuse conversion and attenuation coefficients and other field and laboratory measurement and analysis errors. Applications of the model include creation of synthetic reflectance data sets for remote sensing algorithm development, simulations of stress and drought on vegetation reflectance signatures, and the potential to estimate leaf moisture and chemical status.

Predicting ambient aerosol thermal-optical reflectance measurements from infrared spectra: elemental carbon

NASA Astrophysics Data System (ADS)

Dillner, A. M.; Takahama, S.

2015-10-01

Elemental carbon (EC) is an important constituent of atmospheric particulate matter because it absorbs solar radiation influencing climate and visibility and it adversely affects human health. The EC measured by thermal methods such as thermal-optical reflectance (TOR) is operationally defined as the carbon that volatilizes from quartz filter samples at elevated temperatures in the presence of oxygen. Here, methods are presented to accurately predict TOR EC using Fourier transform infrared (FT-IR) absorbance spectra from atmospheric particulate matter collected on polytetrafluoroethylene (PTFE or Teflon) filters. This method is similar to the procedure developed for OC in prior work (Dillner and Takahama, 2015). Transmittance FT-IR analysis is rapid, inexpensive and nondestructive to the PTFE filter samples which are routinely collected for mass and elemental analysis in monitoring networks. FT-IR absorbance spectra are obtained from 794 filter samples from seven Interagency Monitoring of PROtected Visual Environment (IMPROVE) sites collected during 2011. Partial least squares regression is used to calibrate sample FT-IR absorbance spectra to collocated TOR EC measurements. The FT-IR spectra are divided into calibration and test sets. Two calibrations are developed: one developed from uniform distribution of samples across the EC mass range (Uniform EC) and one developed from a uniform distribution of Low EC mass samples (EC < 2.4 μg, Low Uniform EC). A hybrid approach which applies the Low EC calibration to Low EC samples and the Uniform EC calibration to all other samples is used to produce predictions for Low EC samples that have mean error on par with parallel TOR EC samples in the same mass range and an estimate of the minimum detection limit (MDL) that is on par with TOR EC MDL. For all samples, this hybrid approach leads to precise and accurate TOR EC predictions by FT-IR as indicated by high coefficient of determination (R2; 0.96), no bias (0.00 μg m-3, a concentration value based on the nominal IMPROVE sample volume of 32.8 m3), low error (0.03 μg m-3) and reasonable normalized error (21 %). These performance metrics can be achieved with various degrees of spectral pretreatment (e.g., including or excluding substrate contributions to the absorbances) and are comparable in precision and accuracy to collocated TOR measurements. Only the normalized error is higher for the FT-IR EC measurements than for collocated TOR. FT-IR spectra are also divided into calibration and test sets by the ratios OC/EC and ammonium/EC to determine the impact of OC and ammonium on EC prediction. We conclude that FT-IR analysis with partial least squares regression is a robust method for accurately predicting TOR EC in IMPROVE network samples, providing complementary information to TOR OC predictions (Dillner and Takahama, 2015) and the organic functional group composition and organic matter estimated previously from the same set of sample spectra (Ruthenburg et al., 2014).

Predicting ambient aerosol Thermal Optical Reflectance (TOR) measurements from infrared spectra: elemental carbon

NASA Astrophysics Data System (ADS)

Dillner, A. M.; Takahama, S.

2015-06-01

Elemental carbon (EC) is an important constituent of atmospheric particulate matter because it absorbs solar radiation influencing climate and visibility and it adversely affects human health. The EC measured by thermal methods such as Thermal-Optical Reflectance (TOR) is operationally defined as the carbon that volatilizes from quartz filter samples at elevated temperatures in the presence of oxygen. Here, methods are presented to accurately predict TOR EC using Fourier Transform Infrared (FT-IR) absorbance spectra from atmospheric particulate matter collected on polytetrafluoroethylene (PTFE or Teflon) filters. This method is similar to the procedure tested and developed for OC in prior work (Dillner and Takahama, 2015). Transmittance FT-IR analysis is rapid, inexpensive, and non-destructive to the PTFE filter samples which are routinely collected for mass and elemental analysis in monitoring networks. FT-IR absorbance spectra are obtained from 794 filter samples from seven Interagency Monitoring of PROtected Visual Environment (IMPROVE) sites collected during 2011. Partial least squares regression is used to calibrate sample FT-IR absorbance spectra to collocated TOR EC measurements. The FTIR spectra are divided into calibration and test sets. Two calibrations are developed, one which is developed from uniform distribution of samples across the EC mass range (Uniform EC) and one developed from a~uniform distribution of low EC mass samples (EC < 2.4 μg, Low Uniform EC). A hybrid approach which applies the low EC calibration to low EC samples and the Uniform EC calibration to all other samples is used to produces predictions for low EC samples that have mean error on par with parallel TOR EC samples in the same mass range and an estimate of the minimum detection limit (MDL) that is on par with TOR EC MDL. For all samples, this hybrid approach leads to precise and accurate TOR EC predictions by FT-IR as indicated by high coefficient of variation (R2; 0.96), no bias (0.00 μg m-3, concentration value based on the nominal IMPROVE sample volume of 32.8 m-3), low error (0.03 μg m-3) and reasonable normalized error (21 %). These performance metrics can be achieved with various degrees of spectral pretreatment (e.g., including or excluding substrate contributions to the absorbances) and are comparable in precision and accuracy to collocated TOR measurements. Only the normalized error is higher for the FT-IR EC measurements than for collocated TOR. FT-IR spectra are also divided into calibration and test sets by the ratios OC/EC and ammonium/EC to determine the impact of OC and ammonium on EC prediction. We conclude that FT-IR analysis with partial least squares regression is a robust method for accurately predicting TOR EC in IMPROVE network samples; providing complementary information to TOR OC predictions (Dillner and Takahama, 2015) and the organic functional group composition and organic matter (OM) estimated previously from the same set of sample spectra (Ruthenburg et al., 2014).

Diffuse characteristics study of laser target board using Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Yang, Pengling; Wu, Yong; Wang, Zhenbao; Tao, Mengmeng; Wu, Junjie; Wang, Ping; Yan, Yan; Zhang, Lei; Feng, Gang; Zhu, Jinghui; Feng, Guobin

2013-05-01

In this paper, Torrance-Sparrow and Oren-Nayar model is adopt to study diffuse characteristics of laser target board. The model which based on geometric optics, assumes that rough surfaces are made up of a series of symmetric V-groove cavities with different slopes at microscopic level. The distribution of the slopes of the V-grooves are modeled as beckman distribution function, and every microfacet of the V-groove cavity is assumed to behave like a perfect mirror, which means the reflected ray follows Fresnel law at the microfacet. The masking and shadowing effects of rough surface are also taken into account through geometric attenuation factor. Monte Carlo method is used to simulate the diffuse reflectance distribution of the laser target board with different materials and processing technology, and all the calculated results are verified by experiment. It is shown that the profile of bidirectional reflectance distribution curve is lobe-shaped with the maximum lies along the mirror reflection direction. The width of the profile is narrower for a lower roughness value, and broader for a higher roughness value. The refractive index of target material will also influence the intensity and distribution of diffuse reflectance of laser target surface.

Dual-modality optical biopsy of glioblastomas multiforme with diffuse reflectance and fluorescence: ex vivo retrieval of optical properties

NASA Astrophysics Data System (ADS)

Du Le, Vinh Nguyen; Provias, John; Murty, Naresh; Patterson, Michael S.; Nie, Zhaojun; Hayward, Joseph E.; Farrell, Thomas J.; McMillan, William; Zhang, Wenbin; Fang, Qiyin

2017-02-01

Glioma itself accounts for 80% of all malignant primary brain tumors, and glioblastoma multiforme (GBM) accounts for 55% of such tumors. Diffuse reflectance and fluorescence spectroscopy have the potential to discriminate healthy tissues from abnormal tissues and therefore are promising noninvasive methods for improving the accuracy of brain tissue resection. Optical properties were retrieved using an experimentally evaluated inverse solution. On average, the scattering coefficient is 2.4 times higher in GBM than in low grade glioma (LGG), and the absorption coefficient is 48% higher. In addition, the ratio of fluorescence to diffuse reflectance at the emission peak of 460 nm is 2.6 times higher for LGG while reflectance at 650 nm is 2.7 times higher for GBM. The results reported also show that the combination of diffuse reflectance and fluorescence spectroscopy could achieve sensitivity of 100% and specificity of 90% in discriminating GBM from LGG during ex vivo measurements of 22 sites from seven glioma specimens. Therefore, the current technique might be a promising tool for aiding neurosurgeons in determining the extent of surgical resection of glioma and, thus, improving intraoperative tumor identification for guiding surgical intervention.

Dual-modality optical biopsy of glioblastomas multiforme with diffuse reflectance and fluorescence: ex vivo retrieval of optical properties.

PubMed

Du Le, Vinh Nguyen; Provias, John; Murty, Naresh; Patterson, Michael S; Nie, Zhaojun; Hayward, Joseph E; Farrell, Thomas J; McMillan, William; Zhang, Wenbin; Fang, Qiyin

2017-02-01

Glioma itself accounts for 80% of all malignant primary brain tumors, and glioblastoma multiforme (GBM) accounts for 55% of such tumors. Diffuse reflectance and fluorescence spectroscopy have the potential to discriminate healthy tissues from abnormal tissues and therefore are promising noninvasive methods for improving the accuracy of brain tissue resection. Optical properties were retrieved using an experimentally evaluated inverse solution. On average, the scattering coefficient is 2.4 times higher in GBM than in low grade glioma (LGG), and the absorption coefficient is 48% higher. In addition, the ratio of fluorescence to diffuse reflectance at the emission peak of 460 nm is 2.6 times higher for LGG while reflectance at 650 nm is 2.7 times higher for GBM. The results reported also show that the combination of diffuse reflectance and fluorescence spectroscopy could achieve sensitivity of 100% and specificity of 90% in discriminating GBM from LGG during ex vivo measurements of 22 sites from seven glioma specimens. Therefore, the current technique might be a promising tool for aiding neurosurgeons in determining the extent of surgical resection of glioma and, thus, improving intraoperative tumor identification for guiding surgical intervention.

Determination of the optical properties of semi-infinite turbid media from frequency-domain reflectance close to the source.

PubMed

Kienle, A; Patterson, M S

1997-09-01

We investigate theoretically the errors in determining the reduced scattering and absorption coefficients of semi-infinite turbid media from frequency-domain reflectance measurements made at small distances between the source and the detector(s). The errors are due to the uncertainties in the measurement of the phase, the modulation and the steady-state reflectance as well as to the diffusion approximation which is used as a theoretical model to describe light propagation in tissue. Configurations using one and two detectors are examined for the measurement of the phase and the modulation and for the measurement of the phase and the steady-state reflectance. Three solutions of the diffusion equation are investigated. We show that measurements of the phase and the steady-state reflectance at two different distances are best suited for the determination of the optical properties close to the source. For this arrangement the errors in the absorption coefficient due to typical uncertainties in the measurement are greater than those resulting from the application of the diffusion approximation at a modulation frequency of 200 MHz. A Monte Carlo approach is also examined; this avoids the errors due to the diffusion approximation.

Wide-field FTIR microscopy using mid-IR pulse shaping

PubMed Central

Serrano, Arnaldo L.; Ghosh, Ayanjeet; Ostrander, Joshua S.; Zanni, Martin T.

2015-01-01

We have developed a new table-top technique for collecting wide-field Fourier transform infrared (FTIR) microscopic images by combining a femtosecond pulse shaper with a mid-IR focal plane array. The pulse shaper scans the delay between a pulse pair extremely rapidly for high signal-to-noise, while also enabling phase control of the individual pulses to under-sample the interferograms and subtract background. Infrared absorption images were collected for a mixture of W(CO)6 or Mn2(CO)10 absorbed polystyrene beads, demonstrating that this technique can spatially resolve chemically distinct species. The images are sub-diffraction limited, as measured with a USAF test target patterned on CaF2 and verified with scalar wave simulations. We also find that refractive, rather than reflective, objectives are preferable for imaging with coherent radiation. We discuss this method with respect to conventional FTIR microscopes. PMID:26191843

The effect of ethanol concentration on the direct ethanol fuel cell performance and products distribution: A study using a single fuel cell/attenuated total reflectance - Fourier transform infrared spectroscopy

NASA Astrophysics Data System (ADS)

Assumpção, M. H. M. T.; Nandenha, J.; Buzzo, G. S.; Silva, J. C. M.; Spinacé, E. V.; Neto, A. O.; De Souza, R. F. B.

2014-05-01

The effect of ethanol concentration on the direct ethanol fuel cell (DEFC) performance and products distribution were studied in situ using a single fuel cell/ATR-FTIR setup. The experiments were performed at 80 °C using commercial Pt3Sn/C as anodic catalyst and the concentrations of ethanol solution were varied from 0.1 to 2.0 mol L-1. An increase in power density was observed with the increase of ethanol concentration to 1.0 mol L-1, while the band intensities analysis in the FTIR spectra revealed an increase of acetic acid/acetaldehyde ratio with the increase of ethanol concentration. Also, from FTIR spectra results, it could be concluded that the acetic acid production follow parallel mechanisms; that is, it does not require the presence of acetaldehyde as an intermediate.

Online high-speed NIR diffuse-reflectance imaging spectroscopy in food quality monitoring

NASA Astrophysics Data System (ADS)

Driver, Richard D.; Didona, Kevin

2009-05-01

The use of hyperspectral technology in the NIR for food quality monitoring is discussed. An example of the use of hyperspectral diffuse reflectance scanning and post-processing with a chemometric model shows discrimination between four pharmaceutical samples comprising Aspirin, Acetaminophen, Vitamin C and Vitamin D.

Application of spectroscopic techniques for the study of the surface changes in poplar wood and possible implications in conservation of wooden artefacts

NASA Astrophysics Data System (ADS)

Pelosi, C.; Agresti, G.; Calienno, L.; Lo Monaco, A.; Picchio, R.; Santamaria, U.; Vinciguerra, V.

2013-05-01

The aim of this work is to study the surface modifications of poplar (Populus spp.) wood by reflectance spectrophotometry and Fourier Transform Infrared (FT-IR) spectroscopy in order to understand the mechanisms that cause the changes and to suggest possible solutions to avoid the degradation phenomena. Since colour changes on wood surfaces are due to photo degradation of its chemical constituents, the study of the relationship between CIELAB colour changes and changes in chemical composition due to irradiation is of practical importance both in cultural heritage and in contemporary artefacts and objects. Concerning the surface protection of wood, starting from the results obtained by testing different commercial products, the attention has been focused on Linfoil®, a novel organic preservative/consolidant product that seems to attract a great interest in the field of conservation of wooden artefacts. Linfoil® was chosen and analysed in order to understand its composition and its time stability using reflectance spectrophotometry, FT-IR spectroscopy and analytical pyrolysis coupled to a gas chromatographic-mass spectrometric system. Colour monitoring allowed to find that wood surface colour undergoes an important variation due to photo-irradiation, occurring within the first 24 hours and mainly due to L* decrease and b* increase. Though Linfoil® treatment modifies wood colour, nevertheless it seems to protect wood surface by reducing the yellowish. FT-IR spectroscopy allowed to investigate the rate of photo-degradation of wood surface due to lignin oxidation. The most important result is that a correlation of the colour changes may be derived with the photo-degradation of lignin obtained by FT-IR analysis.

A simple, sensitive and non-destructive technique for characterizing bovine dental enamel erosion: attenuated total reflection Fourier transform infrared spectroscopy

PubMed Central

Kim, In-Hye; Son, Jun Sik; Min, Bong Ki; Kim, Young Kyoung; Kim, Kyo-Han; Kwon, Tae-Yub

2016-01-01

Although many techniques are available to assess enamel erosion in vitro, a simple, non-destructive method with sufficient sensitivity for quantifying dental erosion is required. This study characterized the bovine dental enamel erosion induced by various acidic beverages in vitro using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy. Deionized water (control) and 10 acidic beverages were selected to study erosion, and the pH and neutralizable acidity were measured. Bovine anterior teeth (110) were polished with up to 1 200-grit silicon carbide paper to produce flat enamel surfaces, which were then immersed in 20 mL of the beverages for 30 min at 37 °C. The degree of erosion was evaluated using ATR-FTIR spectroscopy and Vickers' microhardness measurements. The spectra obtained were interpreted in two ways that focused on the ν1, ν3 phosphate contour: the ratio of the height amplitude of ν3 PO4 to that of ν1 PO4 (Method 1) and the shift of the ν3 PO4 peak to a higher wavenumber (Method 2). The percentage changes in microhardness after the erosion treatments were primarily affected by the pH of the immersion media. Regression analyses revealed highly significant correlations between the surface hardness change and the degree of erosion, as detected by ATR-FTIR spectroscopy (P<0.001). Method 1 was the most sensitive to these changes, followed by surface hardness change measurements and Method 2. This study suggests that ATR-FTIR spectroscopy is potentially advantageous over the microhardness test as a simple, non-destructive, sensitive technique for the quantification of enamel erosion. PMID:27025266

A simple, sensitive and non-destructive technique for characterizing bovine dental enamel erosion: attenuated total reflection Fourier transform infrared spectroscopy.

PubMed

Kim, In-Hye; Son, Jun Sik; Min, Bong Ki; Kim, Young Kyoung; Kim, Kyo-Han; Kwon, Tae-Yub

2016-03-30

Although many techniques are available to assess enamel erosion in vitro, a simple, non-destructive method with sufficient sensitivity for quantifying dental erosion is required. This study characterized the bovine dental enamel erosion induced by various acidic beverages in vitro using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy. Deionized water (control) and 10 acidic beverages were selected to study erosion, and the pH and neutralizable acidity were measured. Bovine anterior teeth (110) were polished with up to 1 200-grit silicon carbide paper to produce flat enamel surfaces, which were then immersed in 20 mL of the beverages for 30 min at 37 °C. The degree of erosion was evaluated using ATR-FTIR spectroscopy and Vickers' microhardness measurements. The spectra obtained were interpreted in two ways that focused on the ν1, ν3 phosphate contour: the ratio of the height amplitude of ν3 PO4 to that of ν1 PO4 (Method 1) and the shift of the ν3 PO4 peak to a higher wavenumber (Method 2). The percentage changes in microhardness after the erosion treatments were primarily affected by the pH of the immersion media. Regression analyses revealed highly significant correlations between the surface hardness change and the degree of erosion, as detected by ATR-FTIR spectroscopy (P<0.001). Method 1 was the most sensitive to these changes, followed by surface hardness change measurements and Method 2. This study suggests that ATR-FTIR spectroscopy is potentially advantageous over the microhardness test as a simple, non-destructive, sensitive technique for the quantification of enamel erosion.

Evaluation of Diffuse Reflection Infrared Spectrometry for End-of-Shift Measurement of α-quartz in Coal Dust Samples

PubMed Central

Miller, Arthur L.; Murphy, Nathaniel C.; Bayman, Sean J.; Briggs, Zachary P.; Kilpatrick, Andrew D.; Quinn, Courtney A.; Wadas, Mackenzie R.; Cauda, Emanuele G.; Griffiths, Peter R.

2015-01-01

The inhalation of toxic substances is a major threat to the health of miners, and dust containing respirable crystalline silica (α-quartz) is of particular concern, due to the recent rise in cases of coal workers’ pneumoconiosis and silicosis in some U.S. mining regions. Currently, there is no field-portable instrument that can measure airborne α-quartz and give miners timely feedback on their exposure. The U.S. National Institute for Occupational Safety and Health (NIOSH) is therefore conducting studies to investigate technologies capable of end-of-shift or real-time measurement of airborne quartz. The present study focuses on the potential application of Fourier transform infrared (FT-IR) spectrometry conducted in the diffuse reflection (DR) mode as a technique for measuring α-quartz in respirable mine dust. A DR accessory was used to analyze lab-generated respirable samples of Min-U-Sil 5 (which contains more than 90% α-quartz) and coal dust, at mass loadings in the ranges of 100–600 μg and 600–5300 μg, respectively. The dust samples were deposited onto three different types of filters, borosilicate fiberglass, nylon, and polyvinyl chloride (PVC). The reflectance, R, was calculated by the ratio of a blank filter and a filter with deposited mine dust. Results suggest that for coal and pure quartz dusts deposited on 37 mm PVC filters, measurements of −log R correlate linearly with known amounts of quartz on filters, with R2 values of approximately 0.99 and 0.94, respectively, for samples loaded up to ~4000 μg. Additional tests were conducted to measure quartz in coal dusts deposited onto the borosilicate fiberglass and nylon filter media used in the NIOSH-developed Personal Dust Monitor (PDM). The nylon filter was shown to be amenable to DR analysis, but quantification of quartz is more accurate when the filter is “free,” as opposed to being mounted in the PDM filter holder. The borosilicate fiberglass filters were shown to produce excessive interference, making quartz quantification impossible. It was concluded that, while the DR/FT-IR method is potentially useful for on-filter measurement of quartz in dust samples, the use of PVC filters produced the most accurate results. PMID:25636081

Evaluation of Diffuse Reflection Infrared Spectrometry for End-of-Shift Measurement of α-quartz in Coal Dust Samples.

PubMed

Miller, Arthur L; Murphy, Nathaniel C; Bayman, Sean J; Briggs, Zachary P; Kilpatrick, Andrew D; Quinn, Courtney A; Wadas, Mackenzie R; Cauda, Emanuele G; Griffiths, Peter R

2015-01-01

The inhalation of toxic substances is a major threat to the health of miners, and dust containing respirable crystalline silica (α-quartz) is of particular concern, due to the recent rise in cases of coal workers' pneumoconiosis and silicosis in some U.S. mining regions. Currently, there is no field-portable instrument that can measure airborne α-quartz and give miners timely feedback on their exposure. The U.S. National Institute for Occupational Safety and Health (NIOSH) is therefore conducting studies to investigate technologies capable of end-of-shift or real-time measurement of airborne quartz. The present study focuses on the potential application of Fourier transform infrared (FT-IR) spectrometry conducted in the diffuse reflection (DR) mode as a technique for measuring α-quartz in respirable mine dust. A DR accessory was used to analyze lab-generated respirable samples of Min-U-Sil 5 (which contains more than 90% α-quartz) and coal dust, at mass loadings in the ranges of 100-600 μg and 600-5300 μg, respectively. The dust samples were deposited onto three different types of filters, borosilicate fiberglass, nylon, and polyvinyl chloride (PVC). The reflectance, R, was calculated by the ratio of a blank filter and a filter with deposited mine dust. Results suggest that for coal and pure quartz dusts deposited on 37 mm PVC filters, measurements of -log R correlate linearly with known amounts of quartz on filters, with R(2) values of approximately 0.99 and 0.94, respectively, for samples loaded up to ∼4000 μg. Additional tests were conducted to measure quartz in coal dusts deposited onto the borosilicate fiberglass and nylon filter media used in the NIOSH-developed Personal Dust Monitor (PDM). The nylon filter was shown to be amenable to DR analysis, but quantification of quartz is more accurate when the filter is "free," as opposed to being mounted in the PDM filter holder. The borosilicate fiberglass filters were shown to produce excessive interference, making quartz quantification impossible. It was concluded that, while the DR/FT-IR method is potentially useful for on-filter measurement of quartz in dust samples, the use of PVC filters produced the most accurate results.

Further laboratory study of the diffuse reflectance spectra of frosts occurring on astronomical objects

NASA Technical Reports Server (NTRS)

Glaser, F. M.

1976-01-01

Oligoclase and bloedite, two mined samples, have been investigated, and the diffuse reflectance spectra are presented. These data are for powdered material, 50 microns to 5 microns size mixture, cooled to 160 K. The reflectivity of the oligoclase sample was also measured at room temperature, about 290 K, and the results at these two temperatures do indicate some tentative differences. A frost of ordinary water was prepared and its spectral reflectance is presented. This result compares reasonably well with measurements made by other investigators.

Preparation and characterization of metoprolol tartrate containing matrix type transdermal drug delivery system.

PubMed

Malipeddi, Venkata Ramana; Awasthi, Rajendra; Ghisleni, Daniela Dal Molim; de Souza Braga, Marina; Kikuchi, Irene Satiko; de Jesus Andreoli Pinto, Terezinha; Dua, Kamal

2017-02-01

The present study aimed to develop matrix-type transdermal drug delivery system (TDDS) of metoprolol tartrate using polyvinyl pyrrolidone (PVP) and polyvinyl alcohol (PVA). The transdermal films were evaluated for physical parameters, Fourier transform infrared spectroscopy analysis (FTIR), differential scanning calorimetry (DSC), in vitro drug release, in vitro skin permeability, skin irritation test and stability studies. The films were found to be tough, non-sticky, easily moldable and possess good tensile strength. As the concentration of PVA was increased, the tensile strength of the films was also increased. Results of FTIR spectroscopy and DSC revealed the absence of any drug-polymer interactions. In vitro release of metoprolol followed zero-order kinetics and the mechanism of release was found to be diffusion rate controlled. In vitro release studies of metoprolol using Keshary-Chein (vertical diffusion cell) indicated 65.5 % drug was released in 24 h. In vitro skin permeation of metoprolol transdermal films showed 58.13 % of the drug was released after 24 h. In vitro skin permeation of metoprolol followed zero-order kinetics in selected formulations. The mechanism of release was found to be diffusion rate controlled. In a 22-day skin irritation test, tested formulation of transdermal films did not exhibit any allergic reactions, inflammation, or contact dermatitis. The transdermal films showed good stability in the 180-day stability study. It can be concluded that the TDDS of MPT can help in bypassing the first-pass effect and will provide patient improved compliance, without sacrificing the therapeutic advantages of the drugs.

pH responsive cross-linked polymeric matrices based on natural polymers: effect of process variables on swelling characterization and drug delivery properties.

PubMed

Naeem, Fahad; Khan, Samiullah; Jalil, Aamir; Ranjha, Nazar Muhammad; Riaz, Amina; Haider, Malik Salman; Sarwar, Shoaib; Saher, Fareha; Afzal, Samrin

2017-01-01

Introduction: The current work was aimed to design and synthesize novel crosslinked pH-sensitive gelatin/pectin (Ge/Pec) hydrogels using different polymeric ratios and to explore the effect of polymers and degree of crosslinking on dynamic, equilibrium swelling and in vitro release behavior of the model drug (Mannitol). Methods: The Ge/Pec based hydrogels were prepared using glutaraldehyde as the crosslinker. Various structural parameters that affect their release behavior were determined, including swelling study, porosity, sol-gel analysis, average molecular weight between crosslinks (Mc), volume fraction of polymer (V2,s), solvent interaction parameter (χ) and diffusion coefficient. The synthesized hydrogels were subjected to various characterization tools like Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) and DSC differential scanning calorimetry (DSC) and scanning electron microscopy (SEM). Results: The hydrogels show highest water uptake and release at lower pH values. The FTIR spectra showed an interaction between Ge and Pec, and the drug-loaded samples also showed the drug-related peaks, indicating proper loading of the drug. DSC and TGA studies confirmed the thermal stability of hydrogel samples, while SEM showed the porous nature of hydrogels. The drug release followed non-Fickian diffusion or anomalous mechanism. Conclusion: Aforementioned characterizations reveal the successful formation of copolymer hydrogels. The pH-sensitive swelling ability and drug release behavior suggest that the rate of polymer chain relaxation and drug diffusion from these hydrogels are comparable which also predicts their possible use for site-specific drug delivery.

pH responsive cross-linked polymeric matrices based on natural polymers: effect of process variables on swelling characterization and drug delivery properties

PubMed Central

Naeem, Fahad; Khan, Samiullah; Jalil, Aamir; Ranjha, Nazar Muhammad; Riaz, Amina; Haider, Malik Salman; Sarwar, Shoaib; Saher, Fareha; Afzal, Samrin

2017-01-01

Introduction: The current work was aimed to design and synthesize novel crosslinked pH-sensitive gelatin/pectin (Ge/Pec) hydrogels using different polymeric ratios and to explore the effect of polymers and degree of crosslinking on dynamic, equilibrium swelling and in vitro release behavior of the model drug (Mannitol). Methods: The Ge/Pec based hydrogels were prepared using glutaraldehyde as the crosslinker. Various structural parameters that affect their release behavior were determined, including swelling study, porosity, sol-gel analysis, average molecular weight between crosslinks (Mc), volume fraction of polymer (V2,s), solvent interaction parameter (χ) and diffusion coefficient. The synthesized hydrogels were subjected to various characterization tools like Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) and DSC differential scanning calorimetry (DSC) and scanning electron microscopy (SEM). Results:The hydrogels show highest water uptake and release at lower pH values. The FTIR spectra showed an interaction between Ge and Pec, and the drug-loaded samples also showed the drug-related peaks, indicating proper loading of the drug. DSC and TGA studies confirmed the thermal stability of hydrogel samples, while SEM showed the porous nature of hydrogels. The drug release followed non-Fickian diffusion or anomalous mechanism. Conclusion: Aforementioned characterizations reveal the successful formation of copolymer hydrogels. The pH-sensitive swelling ability and drug release behavior suggest that the rate of polymer chain relaxation and drug diffusion from these hydrogels are comparable which also predicts their possible use for site-specific drug delivery. PMID:29159145

Synthesis and evaluation of chondroitin sulfate based hydrogels of loxoprofen with adjustable properties as controlled release carriers.

PubMed

Khalid, Ikrima; Ahmad, Mahmood; Usman Minhas, Muhammad; Barkat, Kashif

2018-02-01

Mixtures of polymer (chondroitin sulfate) and monomer (AMPS) in the presence of co-monomer (MBA) were employed for the production of hydrogels, with adjustable properties, following free radical copolymerization. The hydrogel's structural properties were assessed by FTIR, DSC, TGA, SEM and XRD which confirmed the development and stability of synthesized structure. The results from FTIR analysis showed that CS react with the AMPS monomer during the polymerization process and confirmed the grafting of AMPS chains onto CS backbone. The surface morphology of CS-co-poly(AMPS) hydrogels, as evident by SEM, corresponds to their improved swelling ability due to high porosity. Thermal analysis showed that crosslinking formed a stable hydrogel network which is thermally more stable than its basic ingredients. The effects of pH revealed an increasing trend in swelling with increasing concentration of either CS or AMPS. In addition, different modalities for drug loading were studied with respect to drug homogeneous distribution; loxoprofen sodium was employed as model drug and was loaded by swelling-diffusion method. In vitro drug release profiles and kinetics were assessed to confirm their reproducibility and reliability. Higuchi model is the best fit model to explain drug release from formed gels indicating diffusion-controlled release. Similarly, Korsmeyer-Peppas model yields remarkably good adjustments where release kinetics involves a combination of diffusion in hydrated matrix and polymer relaxation. Conclusively, CS-co-poly(AMPS) hydrogels could be a potential alternate to conventional dosage forms for controlled delivery of loxoprofen sodium for extended period of time. Copyright © 2017. Published by Elsevier Ltd.

Synthesis, characterization, temperature dependent electrical and magnetic properties of Ca3Co4O9 by a starch assisted sol-gel combustion method

NASA Astrophysics Data System (ADS)

Agilandeswari, K.; Ruban Kumar, A.

2014-09-01

In this present work we discussed the synthesis of pure Ca3Co4O9 ceramic powder by a starch assisted sol-gel combustion method. The products were characterized by powder X-ray diffraction (XRD), thermogravimetric and differential thermal analyses (TGA-DTA), Fourier transformation infrared spectroscopy (FTIR), scanning electron microscope (SEM) and UV-visible diffuse reflectance spectroscopy (DRS). X-ray diffraction pattern confirmed the formation of single phase Ca3Co4O9 at a sintering temperature of 1073 K, and it is also confirmed in the thermal analysis. SEM images indicate the presence of diffused microporous sphere like morphology and the grain sizes are in the range of 150-300 nm. Optical properties of Ca3Co4O9 ceramic show a band gap at an energy level of 2.10 eV. A maximum electrical resistivity of 0.002 mΩ cm was exhibited by Ca3Co4O9 that was decreased to 0.0012 mΩ cm, when the temperature increased from 300 K to 473 K. Dielectric studies were conducted at various temperatures from room temperature to 673 K and the results indicate that the space charge polarization contributes to the conduction mechanism. It also shows that the dielectric relaxation with activation energy is 0.96 eV. The magnetic properties as a function of temperature represent the ferri-paramagnetic phase transition at above 50 K. M-H curve shows the hysteresis loop with saturation magnetization (Ms) and confirms the presence of soft magnetic materials.

A combination of interdisciplinary analytical tools for evaluation of multi-layered coatings on medical grade stainless steel for biomedical applications.

PubMed

Maver, Uroš; Xhanari, Klodian; Žižek, Marko; Korte, Dorota; Gradišnik, Lidija; Franko, Mladen; Finšgar, Matjaž

2018-05-03

In this comprehensive study several analytical techniques were used in order to evaluate multi--layered biomedical surface coatings composed of a drug (diclofenac) and a polymer (chitosan). Such a thorough examination is of paramount importance in order to assure safety and prove efficiency of potential biomedical materials already at the in vitro level, hence leading to their potentially faster introduction to clinical trials. For the first time a novel technique based on thermal diffusivity and conductivity measurement (photothermal beam deflection spectroscopy - BDS) was employed in order to analyse in a non-destructive way the thickness of respective layers, together with their thermal diffusivity and conductivity. In addition to attenuated total reflection Fourier-transform infrared spectroscopy (ATR-FTIR), BDS confirmed successive surface layers of the prepared coatings. Scanning electron microscopy and atomic force microscopy were used to examine structural information on the macro- and micro/nano-scale, respectively. Surface hydrophilicity was measured with the contact angle analysis, which clearly showed differences in hydrophilicity between coated and non-coated samples. Considering the targeted application of the prepared coatings (as implant in orthopaedic treatments), the in vitro drug release was analysed spectrophotometrically to examine the coatings potential for a controlled drug release. Furthermore, the material was also tested by electrochemical impedance spectroscopy and cyclic polarisation techniques, which were able to detect even minor differences between the performance of the coated and non-coated materials. As the final test, the biocompatibility of the coatings with human osteoblasts was determined. Copyright © 2018. Published by Elsevier B.V.

Adsorption of toxic metal ion Cr(VI) from aqueous state by TiO2-MCM-41: equilibrium and kinetic studies.

PubMed

Parida, Kulamani; Mishra, Krushna Gopal; Dash, Suresh Kumar

2012-11-30

This paper deals with the immobilization of various weight percentage of TiO(2) on mesoporous MCM-41, characterization of the materials by X-ray diffraction (XRD), nitrogen adsorption-desorption, Fourier Transform Infrared (FTIR) analysis, UV-vis diffuse reflectance spectroscopy (DRS) and evaluation of the adsorption capacity toward Cr(VI) removal. It is found that the MCM-41 structure retained after loading of TiO(2) but the surface area and pore diameter decreased due to pore blockage. Adsorption of Cr(VI) from aqueous state was investigated on TiO(2)-MCM-41 by changing various parameters such as pH, metal ion concentration, and the temperature. When TiO(2) loading was more than 20 wt.%, the adsorption activity (25)TiO(2)-MCM-41 reduced significantly due to considerable decrease in the surface area. It is also observed that TiO(2) and neat MCM-41 exhibits very less Cr(VI) adsorption compared to TiO(2)-MCM-41. The adsorption of Cr(VI) onto (20)TiO(2)-MCM-41 at pH~5.5 and temperature 323 K was 91% at 100mg/L Cr(VI) metal ion concentration in 80 min. The experimental data fitted well to Langmuir and Freundlich isotherms. The adsorption of Cr(VI) on TiO(2)-MCM-41 followed a second order kinetics with higher values of intra-particle diffusion rate. Thermodynamic parameters suggested that the adsorption process is endothermic in nature and desorption studies indicated a chemisorption mode. Copyright © 2012 Elsevier B.V. All rights reserved.

The effect of Low Earth Orbit exposure on some experimental fluorine and silicon-containing polymers

NASA Technical Reports Server (NTRS)

Connell, John W.; Young, Philip R.; Kalil, Carol G.; Chang, Alice C.; Siochi, Emilie J.

1994-01-01

Several experimental fluorine and silicon-containing polymers in film form were exposed to low Earth orbit (LEO) on a Space Shuttle flight experiment (STS-46, Evaluation of Oxygen Interaction with Materials, EOIM-3). The environmental parameters of primary concern were atomic oxygen (AO) and ultraviolet (UV) radiation. The materials were exposed to 2.3 plus or minus 0.1 x 10(exp 20) oxygen atoms/sq cm and 30.6 UV sun hours during the flight. In some cases, the samples were exposed at ambient, 120 C and 200 C. The effects of exposure on these materials were assessed utilizing a variety of characterization techniques including optical, scanning electron (SEM) and scanning tunneling (STM) microscopy, UV-visible (UV-VIS) transmission, diffuse reflectance infrared (DR-FTIR), x-ray photoelectron (XPS) spectroscopy, and in a few cases, gel permeation chromatography (GPC). In addition, weight losses of the films, presumably due to AO erosion, were measured. The fluorine-containing polymers exhibited significant AO erosion and exposed films were diffuse or 'frosted' in appearance and consequently displayed dramatic reductions in optical transmission. The silicon-containing films exhibited minimum AO erosion and the optical transmission of exposed films was essentially unchanged. The silicon near the exposed surface in the films was converted to silicate/silicon oxide upon AO exposure which subsequently provided protection for the underlying material. The silicon-containing epoxies are potentially useful as AO resistant coatings and matrix resins as they are readily processed into carbon fiber reinforced composites and cured via electron radiation.

Molecular-level spectroscopic investigations of the complexation and photodegradation of catechol to/by iron(III)

NASA Astrophysics Data System (ADS)

Al-Abadleh, Hind; Tofan-Lazar, Julia; Situm, Arthur; Slikboer, Samantha

2014-05-01

Surface water plays a crucial role in facilitating or inhibiting surface reactions in atmospheric aerosols. Little is known about the role of surface water in the complexation of organic molecules to transition metals in multicomponent aerosol systems. We will show results from real time diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) experiments for the in situ complexation of catechol to Fe(III) and its photosensitized degradation under dry and humid conditions. Catechol was chosen as a simple model for humic-like substances (HULIS) in aerosols and aged polyaromatic hydrocarbons (PAH). It has also been detected in secondary organic aerosols (SOA) formed from the reaction of hydroxyl radicals with benzene. Given the importance of the iron content in aerosols and its biogeochemistry, our studies were conducted using FeCl3. For comparison, these surface-sensitive studies were complemented with bulk aqueous ATR-FTIR, UV-vis, and HPLC measurements for structural, quantitative and qualitative information about complexes in the bulk, and potential degradation products. The implications of our studies on understanding interfacial and condensed phase chemistry relevant to multicomponent aerosols, water thin islands on buildings, and ocean surfaces containing transition metals will be discussed.

Surface-Sensitive and Bulk Studies on the Complexation and Photosensitized Degradation of Catechol by Iron(III) as a Model for Multicomponent Aerosol Systems

NASA Astrophysics Data System (ADS)

Al-abadleh, H. A.; Tofan-Lazar, J.; Situm, A.; Ruffolo, J.; Slikboer, S.

2013-12-01

Surface water plays a crucial role in facilitating or inhibiting surface reactions in atmospheric aerosols. Little is known about the role of surface water in the complexation of organic molecules to transition metals in multicomponent aerosol systems. We will show results from real time diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) experiments for the in situ complexation of catechol to Fe(III) and its photosensitized degradation under dry and humid conditions. Catechol was chosen as a simple model for humic-like substances (HULIS) in aerosols and aged polyaromatic hydrocarbons (PAH). It has also been detected in secondary organic aerosols (SOA) formed from the reaction of hydroxyl radicals with benzene. Given the importance of the iron content in aerosols and its biogeochemistry, our studies were conducted using FeCl3. For comparison, these surface-sensitive studies were complemented with bulk aqueous ATR-FTIR, UV-vis, and HPLC measurements for structural, quantitative and qualitative information about complexes in the bulk, and potential degradation products. The implications of our studies on understanding interfacial and condensed phase chemistry relevant to multicomponent aerosols, water thin islands on buildings, and ocean surfaces containing transition metals will be discussed.

Sorption of perfluorooctanoic acid, perfluorooctane sulfonate and perfluoroheptanoic acid on granular activated carbon.

PubMed

Zhang, Di; Luo, Qi; Gao, Bin; Chiang, Sheau-Yun Dora; Woodward, David; Huang, Qingguo

2016-02-01

The sorption of perfluorooctane sulfonate (PFOS), perfluorooctanoic acid (PFOA), and perfluoroheptanoic acid (PFHpA) on granular activated carbon (GAC) was characterized and compared to explore the underlying mechanisms. Sorption of the three perfluoroalkyl acids (PFAAs) on GAC appeared to be a rapid intra-particle diffusion process, which were well represented by the pseudo-second-order rate model with the sorption rate following the order PFOS > PFOA > PFHpA. Sorption isotherm data were well fitted by the Freundlich model with the sorption capacity (Kf) of PFOS, PFOA and PFHpA being 4.45, 2.42 and 1.66 respectively. This suggests that the hydrophilic head group on PFAAs, i.e. sulfonate vs carboxylic, has a strong influence on their sorption. Comparison between PFOA and PFHpA revealed that hydrophobicity could also play a role in the sorption of PFAAs on GAC when the fluorocarbon chain length is different. Analyses using Attenuated Total Reflection (ATR)-Fourier Transform Infrared (FTIR) spectroscopy suggested possible formation of a negative charge-assisted H-bond between PFAAs and the functionalities on GAC surfaces, including non-aromatic ketones, sulfides, and halogenated hydrocarbons. Copyright © 2015 Elsevier Ltd. All rights reserved.

High photoactive and visible-light responsive graphene/titanate nanotubes photocatalysts: preparation and characterization.

PubMed

Qianqian, Zhai; Tang, Bo; Guoxin, Hu

2011-12-30

A series of graphene/titanate nanotubes (TNTs) photocatalysts using graphene and nanoscale TiO(2) or P25 as original materials were fabricated by hydrothermal method. Both low hydrothermal temperature and proper amount of graphene are propitious to better photoactivity. The photocatalytic activities of these nanocomposites far exceed that of P25, pure TNTs and reported TiO(2)-based nanocomposites for the degradation of Rhodamine-B under visible-light irradiation. These prepared photocatalysts were characterized by TEM, XRD, XPS, BET, FTIR and UV-vis diffuse reflection spectra, and the results indicate that the outstanding photoactivities in visible-light region result from sensitization effect of graphene rather than impurity level in the band gap of TNTs. Furthermore, large BET surface areas of these photocatalysts (almost 10 times larger than that of previously reported graphene/TiO(2) nanoparticles) evidently enhance their absorption abilities and photocatalytic performances (the rate constants of degrading Rhodamine-B are at least 5 times higher than that of previously reported photocatalysts). These photocatalysts show good stability, and their photoactivities do not obviously decrease after four times of repeated uses. A detailed photocatalytic mechanism is suggested, as well. Copyright © 2011 Elsevier B.V. All rights reserved.

Influence of humidity on spectral performance for near-infrared detection of fruit

NASA Astrophysics Data System (ADS)

Zhou, Ying; Fu, Xiaping; Ying, Yibin

2006-10-01

Spectral performance would be affected by many factors such as temperature, equipment parameters and so on. Humidity fluctuations may occur in practice because of varying weather conditions. The objective of this research was to find out whether the change of humidity would influence the near infrared spectrum of samples. In this trial, an airproof, humidity-controllable test-bed was established to change the humidity of the mini environment. At 40%, 50%, 60%, 70% and 80% degrees of humidity, each sample's final spectrum was attained by removing the background's spectrum from the sample's. For whether the influence of the sample's and the background's spectrum are equal was not known, This trial was divided into two groups: detecting background and sample at each degree of humidity (group 1) and background's detecting just happened at 40% degree of humidity (group 2). This research was based on the hardware of NEXUS intelligent FT-IR spectrometer, made by Nicolet instrument company U.S.A, with using fiber optic diffuse reflectance accessory. The final spectrum was analysed using single variance analysis and Mahalanobis Distance methods. The result shows that neither in group 1 nor 2, humidity had little influence on NIR.

Photocatalytic degradation of metronidazole and methylene blue by PVA-assisted Bi2WO6-CdS nanocomposite film under visible light irradiation

NASA Astrophysics Data System (ADS)

Rajendran, Ranjith; Varadharajan, Krishnakumar; Jayaraman, Venkatesan; Singaram, Boobas; Jeyaram, Jayaprakash

2018-02-01

The enhanced photocatalytic performance of nanocomposite is synthesized via the hydrothermal method and characterized using X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (FESEM), Fourier transform infrared spectroscopy (FT-IR), UV-visible diffuse reflectance spectroscopy (UV-Vis DRS) and photoluminescence spectroscopy (PL). Under visible light irradiation, PVA assisted Bi2WO6-CdS nanocomposite film displayed enhanced photocatalytic efficiency and inhibition of photocorrosion as compared with pure CdS, pure Bi2WO6 and Bi2WO6-CdS composite. The PVA assisted Bi2WO6-CdS composite film catalyst showed stable catalytic performance until seven successive runs with 92% of methylene blue(MB) degradation, and easy to recover after degradation of organic pollutant. PVA assisted Bi2WO6-CdS nanocomposite film has optimal band edge position for superior photocatalytic degradation. Furthermore, the trapping experiment was carried out using different scavenger for active species. Among the active species, OH· are the most responsive species which play a vital role in the degradation of metronidazole and MB.

Synthesis and characterization of Ag embedded graphitic carbon nitride

NASA Astrophysics Data System (ADS)

Patra, P. C.; Mohapatra, Y. N.

2018-05-01

Silver embedded graphitic carbon nitride (g-C3N4:Ag) was prepared by a simple wet chemical pathway using dimethylformamide (DMF) as a common solvent which facilitate homogenous distribution of Ag nanoparticles under ambient conditions. The phase, chemical structure and thermal stability of the as prepared g-C3N4:Ag composite was characterized by X-ray diffraction (XRD), Fourier transmission infrared (FTIR) spectroscopy and Thermo gravimetric analysis (TGA). The optical properties of g-C3N4:Ag were investigated by diffuse reflectance UV/vis spectroscopy and steady state photoluminescence (PL) spectroscopy. The bandgap of g-C3N4:Ag is determined to be 2.72 eV compared to 2.85 eV for that of pure g-C3N4 using Kubelka-Monk function. Comparing the UV/vis spectra, there is a broad spectrum in the region 2.3 to 2.6 eV in the case of g-C3N4:Ag, which is attributed to the presence of Ag nanoparticles. The emission peak of g-C3N4:Ag is slightly broadened and quenched in intensity to that of pure g-C3N4.

Facile room-temperature synthesis of carboxylated graphene oxide-copper sulfide nanocomposite with high photodegradation and disinfection activities under solar light irradiation

PubMed Central

Yu, Shuyan; Liu, Jincheng; Zhu, Wenyu; Hu, Zhong-Ting; Lim, Teik-Thye; Yan, Xiaoli

2015-01-01

Carboxylic acid functionalized graphene oxide-copper (II) sulfide nanoparticle composite (GO-COOH-CuS) was prepared from carboxylated graphene oxide and copper precursor in dimethyl sulfoxide (DMSO) by a facile synthesis process at room temperature. The high-effective combination, the interaction between GO-COOH sheets and CuS nanoparticles, and the enhanced visible light absorption were confirmed by transmission electron microscopy (TEM), field emission scanning electron microscopy (FESEM), X-ray powder diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), thermo gravimetric analysis (TGA), X-ray photoelectron spectroscopy (XPS), UV-vis diffuse reflectance spectra (DRS) and Photoluminescence (PL) spectra. The as-synthesized GO-COOH-CuS nanocomposite exhibited excellent photocatalytic degradation performance of phenol and rhodamine B, high antibacterial activity toward E. coli and B. subtilis, and good recovery and reusability. The influence of CuS content, the synergistic reaction between CuS and GO-COOH, and the charge-transfer mechanism were systematically investigated. The facile and low-energy synthesis process combined with the excellent degradation and antibacterial performance signify that the GO-COOH-CuS has a great potential for water treatment application. PMID:26553709

Synthesis aspects, structural, spectroscopic, antimicrobial and room temperature ferromagnetism of zinc iodide complex with Schiff based ligand

NASA Astrophysics Data System (ADS)

Shakila, K.; Kalainathan, S.

2015-01-01

In this paper, we report the successful growth of complex compound of zinc iodide with thiocarbamide by slow evaporation method. The single crystal XRD study reveals that the crystal belongs to monoclinic system with centrosymmetric space group and powder XRD analysis shows that the perfect crystalline nature of the crystal. The presence of functional group and element were confirmed from FT-IR and EDAX analysis. Optical absorbance of the grown crystal was studied by UV-Vis spectrophotometer. The optical constants were calculated from the optical absorbance data such as refractive index (n), extinction coefficient (K) and reflectance (R). The optical band gap (Eg) of thiocarbamide zinc iodide crystal is 4.22 eV. The magnetic properties of grown crystal have been determined by Vibrating Sample Magnetometry (VSM). Room temperature magnetization revealed a ferromagnetic behaviour for the grown crystal. The antibacterial and antifungal activities of the title compound were performed by well diffusion method and MIC method against the standard bacteria like Staphylococcus aureus, Escherichia coli, Klebsiella pneumonia and against fungus like Aspergillus niger, Rhizopus sps and Penicillium sps. Thermal behaviour of the crystal has been investigated using thermogravimetric analysis (TGA) and differential thermal analysis (DTA).

As-synthesis of nanostructure AgCl/Ag/MCM-41 composite

NASA Astrophysics Data System (ADS)

Sohrabnezhad, Sh.; Pourahmad, A.

2012-02-01

In this work, we present the simple synthetic route for silver chloride/silver nanoparticles (AgCl/Ag-NPs) using as-synthesis method. The structure, composition and optical properties of such material were investigated by transmission electron microscopy (TEM), UV-visible diffuse reflectance spectroscopy (UV-vis DRS), X-ray diffraction (XRD) and FTIR. Powder X-ray diffraction showed that when AgNO 3 content is below 0.1 wt.% in synthetic gel, the guest AgCl/Ag-NPs is formed on the silica channel wall, and lower exists in the crystalline state. When AgNO 3 content exceeds this value, AgCl/Ag nanoparticles can be observed in high crystalline state. The absorption at 327 nm ascribed to the characteristic absorption of the AgCl semiconductor. Ag nanoparticles have been shown to exist in the nanocomposite at 375 nm. When AgNO 3 content is above 0.1 wt.% in synthetic gel, spectra exhibited stronger absorption at 450-700 nm that was attributed to the surface plasmonic resonance of silver nanoparticles. The obtained AgCl/Ag/MCM-41 sample exhibit enhanced photocatalytic activity for the degradation of methylene blue under visible-light irradiation.

Reduced graphene oxide modified NiFe-calcinated layered double hydroxides for enhanced photocatalytic removal of methylene blue

NASA Astrophysics Data System (ADS)

Zhao, Guoqing; Li, Caifeng; Wu, Xia; Yu, Jingang; Jiang, Xinyu; Hu, Wenjihao; Jiao, Feipeng

2018-03-01

Calcined layered double hydroxides (CLDH) are one of the remarkable photocatalysts passionately studied for photodecolorization of organic dyes. NiFe-CLDH was successfully modified by reduced graphene oxide (RGO) through a facile in situ crystallization technique. The obtained RGO/NiFe-CLDH composites were fully characterized by powder X-ray diffraction (XRD), Scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), Fourier transform infrared (FT-IR), and UV-vis diffuse reflectance spectroscopy (DRS). The results analysis indicated that RGO sheets could work as base course to prompt the growth of LDH crystallites and NiFe-LDH lamellar crystal promiscuously distributed on the sheets with a strong interplay between each other. The photocatalytic performance of RGO/NiFe-CLDH composites toward decolorization of methylene blue tightly depended on the mass fraction of RGO and calcinated temperature. At the RGO weight loading of 1%, calcination temperature of 500 °C, the photocatalytic degradation efficiency of RGO/NiFe-CLDH composites reached 93.0% within 5.0 h. The enhanced activity of RGO/NiFe-CLDH composites may be due to the concerted catalysis effect between two constituents of as-prepared composites.

Preparation of poly-o-phenylenediamine/TiO 2/fly-ash cenospheres and its photo-degradation property on antibiotics

NASA Astrophysics Data System (ADS)

Huo, Pengwei; Yan, Yongsheng; Li, Songtian; Li, Huaming; Huang, Weihong

2010-03-01

A series of poly-o-phenylenediamine/TiO 2/fly-ash cenospheres(POPD/TiO 2/fly-ash cenospheres) composites have been prepared from o-phenylenediamine and TiO 2/fly-ash cenospheres under various polymerization conditions. The properties of the samples were characterized by scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), specific surface area (BET), X-ray diffraction (XRD), Fourier transform infrared (FT-IR) and UV-vis diffuse reflectance spectrum (UV-vis DRS). Photocatalytic activity was studied by degradation of antibiotics waste water under visible light. The results indicate that the photo-induced method is viable for preparing modified photocatalysts, and the modified photocatalysts have good absorption in visible light range. The photocatalysts of POPD/TiO 2/fly-ash cenospheres which have good performance are prepared at pH 3 and 4, and the polymerized time around 40 min. When the photocatalysts are prepared under the conditions of pH 3 and polymerized time 40 min, the degradation rate of roxithromycin waste water could reach near 60%, and it indicates that the way of POPD modified TiO 2/fly-ash cenospheres to degrade the antibiotics waste water is viable.

Synthesis and characterization of TiO2 loaded cashew nut shell activated carbon and photocatalytic activity on BG and MB dyes under sunlight radiation.

PubMed

Ragupathy, S; Raghu, K; Prabu, P

2015-03-05

Synthesis of titanium dioxide (TiO2) nanoparticles and TiO2 loaded cashew nut shell activated carbon (TiO2/CNSAC) had been undertaken using sol-gel method and their application in BG and MB dyes removal under sunlight radiation has been investigated. The synthesized photocatalysts were characterized by X-ray diffraction analysis (XRD), Fourier infra-red spectroscopy (FT-IR), UV-Vis-diffuse reflectance spectroscopy (DRS) and scanning electron microscopy (SEM) with energy dispersive X-ray analysis (EDX). The various experimental parameters like amount of catalyst, contact time for efficient dyes degradation of BG and MB were concerned in this study. Activity measurements performed under solar irradiation has shown good results for the photodegradation of BG and MB in aqueous solution. It was concluded that the higher photocatalytic activity in TiO2/CNSAC was due to parameters like band-gap, number of hydroxyl groups, surface area and porosity of the catalyst. The kinetic data were also described by the pseudo-first-order and pseudo-second-order kinetic models. Copyright © 2014 Elsevier B.V. All rights reserved.

Elaboration of nano titania-magnetic reduced graphene oxide for degradation of tartrazine dye in aqueous solution

NASA Astrophysics Data System (ADS)

Nada, Amr A.; Tantawy, Hesham R.; Elsayed, Mohamed A.; Bechelany, Mikhael; Elmowafy, Mohamed E.

2018-04-01

In this paper, magnetic nanocomposites are synthesized by loading reduced graphene oxide (RG) with two components of nanoparticles consisting of titanium dioxide (TiO2) and magnetite (Fe3O4) with varying amounts. The structural and magnetic features of the prepared composite photocatalysts were investigated by powder X-ray diffraction (XRD), Fourier transform infrared spectra (FT-IR), transmission electron microscopy (TEM), UV-vis diffuse reflectance spectra (UV-vis/DRS), Raman and vibrating sample magnetometer (VSM). The resulting TiO2/magnetite reduced graphene oxide (MRGT) composite demonstrated intrinsic visible light photocatalytic activity, on degradation of tartrazine (TZ) dye from a synthetic aqueous solution. Specifically, it exhibits higher photocatalytic activity than magnetite reduced graphene oxide (MRG) and TiO2 nanoparticles. The photocatalytic degradation of TZ dye when using MRG and TiO2 for 3 h under visible light was 35% and 10% respectively, whereas for MRGT it was more than 95%. The higher photocatalytic efficiency of MRGT is due to the existence of reduced graphene oxide and magnetite which enhances the photocatalytic efficiency of the composite in visible light towards the degradation of harmful soluble azo dye (tartrazine).

Synthesis, crystal structure, and properties of new lead barium borate with B3O6 plane hexagonal rings

NASA Astrophysics Data System (ADS)

Zhao, Wenwu

2017-08-01

A new lead barium borate Ba8.02Pb0.98(B3O6)6 with B3O6 plane hexagonal rings was synthesized through spontaneous nucleation from a high-temperature solution utilizing PbO, H3BO3, and BaF2 as reagents. Its crystal structure was determined from single-crystal X-ray diffraction data and further characterized by FT-IR. It crystallizes in space group R32 and the crystallographic structure of Ba8.02Pb0.98(B3O6)6 can be described as a layer-like structure, there is stacking along the c-axis of B3O6 plane hexagonal rings with the Ba2 and Pb/Ba1 atoms alternately occupying sites between the B3O6 sheets. A comparison of the structures of Ba8.02Pb0.98(B3O6)6, PbBa2(B3O6)2 and α-BaB2O4 is presented. UV-Vis-NIR diffuse-reflectance spectrum indicates that the absorption edge of Ba8.02Pb0.98(B3O6)6 is about 399 nm.

Facile Preparation of Nano-Bi₂MoO₆/Diatomite Composite for Enhancing Photocatalytic Performance under Visible Light Irradiation.

PubMed

Cai, Lu; Gong, Jiuyan; Liu, Jianshe; Zhang, Hailong; Song, Wendong; Ji, Lili

2018-02-09

In this work, a new nano-Bi₂MoO₆/diatomite composite photocatalyst was successfully synthesized by a facile solvothermal method. Scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), and UV-vis diffuse reflection spectroscopy (DRS) were employed to investigate the morphology, crystal structure, and optical properties. It was shown that nanometer-scaled Bi₂MoO₆ crystals were well-deposited on the surface of Bi₂MoO₆/diatomite. The photocatalytic activity of the obtained samples was evaluated by the degradation of rhodamine B (RhB) under the visible light (λ > 420 nm) irradiation. Moreover, trapping experiments were performed to investigate the possible photocatalytic reaction mechanism. The results showed that the nano-Bi₂MoO₆/diatomite composite with the mass ratio of Bi₂MoO₆ to diatomaceous earth of 70% exhibited the highest activity, and the RhB degradation efficiency reached 97.6% within 60 min. The main active species were revealed to be h⁺ and•O 2- . As a photocatalytic reactor, its recycling performance showed a good stability and reusability. This new composite photocatalyst material holds great promise in the engineering field for the environmental remediation.

Enhanced photocatalytic activity of graphitic carbon nitride/cadmium sulfide heterojunctions by protonating treatment

NASA Astrophysics Data System (ADS)

Yan, Mengdie; Ma, Yushuang; Zhang, Huanhuan; Ye, Boyong; Dong, Xiaoping

2018-05-01

Highly efficient visible-light-driven protonated g-C3N4 (pg-C3N4)/CdS heterojunctions with different weight ratios of CdS were prepared by treating g-C3N4 with hydrochloric acid and using an in-situ precipitation method. The structure and morphology of heterojunctions were investigated by X-ray powder diffraction (XRD), transmission electron microscopy (TEM), UV-vis diffuse reflectance spectroscopy (DRS), Fourier transform infrared spectroscopy (FTIR) and nitrogen adsorption technology. The as-prepared pg-C3N4/CdS heterojunction with 50 wt% of g-C3N4 exhibited much higher photocatalytic activity for photodegradation of methyl orange (MO) than pg-C3N4, CdS and g-C3N4/CdS without protonation as well, which could be contributed to the activation of hydrochloric acid treatment and the improved electron-hole separation due to their overlapping band structure of CdS and pg-C3N4. A possible photocatalytic mechanism of the pg-C3N4/CdS heterojunctions with superoxide radical species as the main active species in photocatalysis was proposed on the basis of experimental results.

Precursor effect on the property and catalytic behavior of Fe-TS-1 in butadiene epoxidation

NASA Astrophysics Data System (ADS)

Wu, Mei; Zhao, Huahua; Yang, Jian; Zhao, Jun; Song, Huanling; Chou, Lingjun

2017-11-01

The effect of iron precursor on the property and catalytic behavior of iron modified titanium silicalite molecular sieve (Fe-TS-1) catalysts in butadiene selective epoxidation has been studied. Three Fe-TS-1 catalysts were prepared, using iron nitrate, iron chloride and iron sulfate as precursors, which played an important role in adjusting the textural properties and chemical states of TS-1. Of the prepared Fe-TS-1 catalysts, those modified by iron nitrate (FN-TS-1) exhibited a significant enhanced performance in butadiene selective epoxidation compared to those derived from iron sulfate (FS-TS-1) or iron chloride (FC-TS-1) precursors. To obtain a deep understanding of their structure-performance relationship, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Temperature programmed desorption of NH3 (NH3-TPD), Diffuse reflectance UV-Vis spectra (DR UV-Vis), Fourier transformed infrared spectra (FT-IR) and thermal gravimetric analysis (TGA) were conducted to characterize Fe-TS-1 catalysts. Experimental results indicated that textural structures and acid sites of modified catalysts as well as the type of Fe species influenced by the precursors were all responsible for the activity and product distribution.

Rapid and quantitative detection of the microbial spoilage in milk using Fourier transform infrared spectroscopy and chemometrics.

PubMed

Nicolaou, Nicoletta; Goodacre, Royston

2008-10-01

Microbiological safety plays a very significant part in the quality control of milk and dairy products worldwide. Current methods used in the detection and enumeration of spoilage bacteria in pasteurized milk in the dairy industry, although accurate and sensitive, are time-consuming. FT-IR spectroscopy is a metabolic fingerprinting technique that can potentially be used to deliver results with the same accuracy and sensitivity, within minutes after minimal sample preparation. We tested this hypothesis using attenuated total reflectance (ATR), and high throughput (HT) FT-IR techniques. Three main types of pasteurized milk - whole, semi-skimmed and skimmed - were used and milk was allowed to spoil naturally by incubation at 15 degrees C. Samples for FT-IR were obtained at frequent, fixed time intervals and pH and total viable counts were also recorded. Multivariate statistical methods, including principal components-discriminant function analysis and partial least squares regression (PLSR), were then used to investigate the relationship between metabolic fingerprints and the total viable counts. FT-IR ATR data for all milks showed reasonable results for bacterial loads above 10(5) cfu ml(-1). By contrast, FT-IR HT provided more accurate results for lower viable bacterial counts down to 10(3) cfu ml(-1) for whole milk and, 4 x 10(2) cfu ml(-1) for semi-skimmed and skimmed milk. Using FT-IR with PLSR we were able to acquire a metabolic fingerprint rapidly and quantify the microbial load of milk samples accurately, with very little sample preparation. We believe that metabolic fingerprinting using FT-IR has very good potential for future use in the dairy industry as a rapid method of detection and enumeration.

Synthesis, spectroscopic and electrochemical performance of pasted β-nickel hydroxide electrode in alkaline electrolyte

NASA Astrophysics Data System (ADS)

Shruthi, B.; Bheema Raju, V.; Madhu, B. J.

2015-01-01

β-Nickel hydroxide (β-Ni(OH)2) was successfully synthesized using precipitation method. The structure and property of the β-Ni(OH)2 were characterized by X-ray diffraction (XRD), Fourier Transform infra-red (FT-IR), Raman spectra and thermal gravimetric-differential thermal analysis (TG-DTA). The results of the FTIR spectroscopy and TG-DTA studies indicate that the β-Ni(OH)2 contains water molecules and anions. The microstructural and composition studies have been performed using Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray (EDX) analysis. A pasted-type electrode is prepared using β-Ni(OH)2 powder as the active material on a nickel sheet as a current collector. Cyclic voltammetry (CV) and Electrochemical impedance spectroscopy (EIS) studies were performed to evaluate the electrochemical performance of the β-Ni(OH)2 electrode in 6 M KOH electrolyte. CV curves showed a pair of strong redox peaks as a result of the Faradaic redox reactions of β-Ni(OH)2. The proton diffusion coefficient (D) for the present β-Ni(OH)2 electrode material is found to be 1.44 × 10-12 cm2 s-1. Further, electrochemical impedance studies confirmed that the β-Ni(OH)2 electrode reaction processes are diffusion controlled.

Synthesis, spectroscopic and electrochemical performance of pasted β-nickel hydroxide electrode in alkaline electrolyte.

PubMed

Shruthi, B; Bheema Raju, V; Madhu, B J

2015-01-25

β-Nickel hydroxide (β-Ni(OH)2) was successfully synthesized using precipitation method. The structure and property of the β-Ni(OH)2 were characterized by X-ray diffraction (XRD), Fourier Transform infra-red (FT-IR), Raman spectra and thermal gravimetric-differential thermal analysis (TG-DTA). The results of the FTIR spectroscopy and TG-DTA studies indicate that the β-Ni(OH)2 contains water molecules and anions. The microstructural and composition studies have been performed using Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray (EDX) analysis. A pasted-type electrode is prepared using β-Ni(OH)2 powder as the active material on a nickel sheet as a current collector. Cyclic voltammetry (CV) and Electrochemical impedance spectroscopy (EIS) studies were performed to evaluate the electrochemical performance of the β-Ni(OH)2 electrode in 6M KOH electrolyte. CV curves showed a pair of strong redox peaks as a result of the Faradaic redox reactions of β-Ni(OH)2. The proton diffusion coefficient (D) for the present β-Ni(OH)2 electrode material is found to be 1.44×10(-12) cm(2) s(-1). Further, electrochemical impedance studies confirmed that the β-Ni(OH)2 electrode reaction processes are diffusion controlled. Copyright © 2014 Elsevier B.V. All rights reserved.

Limitations of the commonly used simplified laterally uniform optical fiber probe-tissue interface in Monte Carlo simulations of diffuse reflectance

PubMed Central

Naglič, Peter; Pernuš, Franjo; Likar, Boštjan; Bürmen, Miran

2015-01-01

Light propagation models often simplify the interface between the optical fiber probe tip and tissue to a laterally uniform boundary with mismatched refractive indices. Such simplification neglects the precise optical properties of the commonly used probe tip materials, e.g. stainless steel or black epoxy. In this paper, we investigate the limitations of the laterally uniform probe-tissue interface in Monte Carlo simulations of diffuse reflectance. In comparison to a realistic probe-tissue interface that accounts for the layout and properties of the probe tip materials, the simplified laterally uniform interface is shown to introduce significant errors into the simulated diffuse reflectance. PMID:26504647

[Application of near-infrared diffuse reflectance spectroscopy to the detection and identification of transgenic corn].

PubMed

Rui, Yu-kui; Luo, Yun-bo; Huang, Kun-lun; Wang, Wei-min; Zhang, Lu-da

2005-10-01

With the rapid development of the GMO, more and more GMO food has been pouring into the market. Much attention has been paid to GMO labeling under the controversy of GMO safety. Transgenic corns and their parents were scanned by continuous wave of near infrared diffuse reflectance spectroscopy range of 12000-4000 cm(-1); the resolution was 4 cm(-1); scanning was carried out for 64 times; BP algorithm was applied for data processing. The GMO food was easily resolved. Near-infrared diffuse reflectance spectroscopy is unpolluted and inexpensive compared with PCR and ELISA, so it is a very promising detection method for GMO food.

Non-invasive identification of organic materials in historical stringed musical instruments by reflection infrared spectroscopy: a methodological approach.

PubMed

Invernizzi, Claudia; Daveri, Alessia; Vagnini, Manuela; Malagodi, Marco

2017-05-01

The analysis of historical musical instruments is becoming more relevant and the interest is increasingly moving toward the non-invasive reflection FTIR spectroscopy, especially for the analysis of varnishes. In this work, a specific infrared reflectance spectral library of organic compounds was created with the aim of identifying musical instrument materials in a totally non-invasive way. The analyses were carried out on pure organic compounds, as bulk samples and laboratory wooden models, to evaluate the diagnostic reflection mid-infrared (MIR) bands of proteins, polysaccharides, lipids, and resins by comparing reflection spectra before and after the KK correction. This methodological approach was applied to real case studies represented by four Stradivari violins and a Neapolitan mandolin.

Transfer matrix method for four-flux radiative transfer.

PubMed

Slovick, Brian; Flom, Zachary; Zipp, Lucas; Krishnamurthy, Srini

2017-07-20

We develop a transfer matrix method for four-flux radiative transfer, which is ideally suited for studying transport through multiple scattering layers. The model predicts the specular and diffuse reflection and transmission of multilayer composite films, including interface reflections, for diffuse or collimated incidence. For spherical particles in the diffusion approximation, we derive closed-form expressions for the matrix coefficients and show remarkable agreement with numerical Monte Carlo simulations for a range of absorption values and film thicknesses, and for an example multilayer slab.

ATR-FTIR membrane-based sensor for the simultaneous determination of surfactant and oil total indices in industrial degreasing baths.

PubMed

Lucena, Rafael; Cárdenas, Soledad; Gallego, Mercedes; Valcárcel, Miguel

2006-03-01

Monitoring the exhaustion of alkaline degreasing baths is one of the main aspects in metal mechanizing industrial process control. The global level of surfactant, and mainly grease, can be used as ageing indicators. In this paper, an attenuated total reflection-Fourier transform infrared (ATR-FTIR) membrane-based sensor is presented for the determination of these parameters. The system is based on a micro-liquid-liquid extraction of the analytes through a polymeric membrane from the aqueous to the organic solvent layer which is in close contact with the internal reflection element and continuously monitored. Samples are automatically processed using a simple, robust sequential injection analysis (SIA) configuration, on-line coupled to the instrument. The global signal obtained for both families of compounds are processed via a multivariate calibration technique (partial least squares, PLS). Excellent correlation was obtained for the values given by the proposed method compared to those of the gravimetric reference one with very low error values for both calibration and validation.

Identification of trace additives in polymer materials by attenuated total reflection Fourier transform infrared mapping coupled with multivariate curve resolution

NASA Astrophysics Data System (ADS)

Li, Qian; Tang, Yongjiao; Yan, Zhiwei; Zhang, Pudun

2017-06-01

Although multivariate curve resolution (MCR) has been applied to the analysis of Fourier transform infrared (FTIR) imaging, it is still problematic to determine the number of components. The reported methods at present tend to cause the components of low concentration missed. In this paper a new idea was proposed to resolve this problem. First, MCR calculation was repeated by increasing the number of components sequentially, then each retrieved pure spectrum of as-resulted MCR component was directly compared with a real-world pixel spectrum of the local high concentration in the corresponding MCR map. One component was affirmed only if the characteristic bands of the MCR component had been included in its pixel spectrum. This idea was applied to attenuated total reflection (ATR)/FTIR mapping for identifying the trace additives in blind polymer materials and satisfactory results were acquired. The successful demonstration of this novel approach opens up new possibilities for analyzing additives in polymer materials.

Innovative FT-IR imaging of protein film secondary structure before and after heat treatment.

PubMed

Bonwell, Emily S; Wetzel, David L

2009-11-11

Changes in the secondary structure of globular protein occur during thermal processing. An infrared reflecting mirrored optical substrate that is unaffected by heat allows recording infrared spectra of protein films in a reflection absorption mode on the stage of an FT-IR microspectrometer. Hydrated films of myoglobin protein cast from solution on the mirrored substrate are interrogated before and after thermal denaturation to allow a direct comparison. Focal plane array imaging of 280 protein films allowed selection of the same area in the image from which to extract spectra. After treatment, 110 of 140 spectra from multiple films showed a dramatic shift from the alpha-helix form (1650 +/- 5 cm(-1)) to aggregated forms on either side of the original band. Seventy maxima were near 1625 cm(-1), and 40 shifted in the direction of 1670 cm(-1). The method developed was applied to films cast from two other commercial animal and plant protein sources.

Minimally invasive screening for colitis using attenuated total internal reflectance Fourier transform infrared spectroscopy

PubMed Central

Titus, Jitto; Viennois, Emilie; Merlin, Didier; Perera, A. G. Unil

2016-01-01

This article describes a rapid, simple and cost-effective technique that could lead to a screening method for colitis without the need for biopsies or in vivo measurements. This screening technique includes the testing of serum using Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) spectroscopy for the colitis-induced increased presence of mannose. Chronic (Interleukin 10 knockout) and acute (Dextran Sodium Sulphate-induced) models for colitis are tested using the ATR-FTIR technique. Arthritis (Collagen Antibody Induced Arthritis) and metabolic syndrome (Toll like receptor 5 knockout) models are also tested as controls. The marker identified as mannose uniquely screens and distinguishes the colitic from the non-colitic samples and the controls. The reference or the baseline spectrum could be the pooled and averaged spectra of non-colitic samples or the subject's previous sample spectrum. This shows the potential of having individualized route maps of disease status, leading to personalized diagnosis and drug management. PMID:27094092

Differentiation of Body Fluid Stains on Fabrics Using External Reflection Fourier Transform Infrared Spectroscopy (FT-IR) and Chemometrics.

PubMed

Zapata, Félix; de la Ossa, Ma Ángeles Fernández; García-Ruiz, Carmen

2016-04-01

Body fluids are evidence of great forensic interest due to the DNA extracted from them, which allows genetic identification of people. This study focuses on the discrimination among semen, vaginal fluid, and urine stains (main fluids in sexual crimes) placed on different colored cotton fabrics by external reflection Fourier transform infrared spectroscopy (FT-IR) combined with chemometrics. Semen-vaginal fluid mixtures and potential false positive substances commonly found in daily life such as soaps, milk, juices, and lotions were also studied. Results demonstrated that the IR spectral signature obtained for each body fluid allowed its identification and the correct classification of unknown stains by means of principal component analysis (PCA) and soft independent modeling of class analogy (SIMCA). Interestingly, results proved that these IR spectra did not show any bands due to the color of the fabric and no substance of those present in daily life which were analyzed, provided a false positive. © The Author(s) 2016.

Analysis of grain boundary phase devitrification of Y2O3- and Al2O3-doped Si3N4

NASA Technical Reports Server (NTRS)

Hench, L. L.; Vaidyanathan, P. N.

1983-01-01

The present study has the objective to show that a Fourier Transform IR (FTIR) spectrometer in a single-beam reflection mode can be used for direct comparison of fractured vs nonfractured Si3N4 surfaces. This can be done because the FTIR method permits a digital summation of nearly 1000 scans of the fracture surface. Commercial-grade Si3N4, Y2O3, and Al2O3 were used in the study. The samples were heat treated in a vacuum induction heating furnace at either 1000 C for 10 h or 1200 C for 10 h each. Use of Fourier transform IR reflection spectroscopic analysis and X-ray diffraction shows that 10 h at 1200 C is sufficient to devitrify the amorphous grain boundary phase of Si3N4 containing 15 percent Y2O3 + 2 percent Al2O3 densification aids.

Reflectance Infrared Spectroscopy on Operating Surface Acoustic Wave Chemical Sensors During Exposure to Gas-Phase Analytes

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

Hierlemann, A.; Hill, M.; Ricco, A.J.

We have developed instrumentation to enable the combination of surface acoustic wave (SAW) sensor measurements with direct, in-situ molecular spectroscopic measurements to understand the response of the SAW sensors with respect to the interfacial chemistry of surface-confined sensing films interacting with gas-phase analytes. Specifically, the instrumentation and software was developed to perform in-situ Fourier-transform infrared external-reflectance spectroscopy (FTIR-ERS) on operating SAW devices during dosing of their chemically modified surfaces with analytes. By probing the surface with IR spectroscopy during gas exposure, it is possible to understand in unprecedented detail the interaction processes between the sorptive SAW coatings and the gaseousmore » analyte molecules. In this report, we provide details of this measurement system, and also demonstrate the utility of these combined measurements by characterizing the SAW and FTIR-ERS responses of organic thin-film sensor coatings interacting with gas-phase analytes.« less

Selective mode excitation in finite size plasma crystals by diffusely reflected laser light

NASA Astrophysics Data System (ADS)

Schablinski, Jan; Block, Dietmar

2015-02-01

The possibility to use diffuse reflections of a laser beam to exert a force on levitating dust particles is studied experimentally. Measurements and theoretical predictions are found to be in good agreement. Further, the method is applied to test the selective excitation of breathing-like modes in finite dust clusters.

Diffuse-reflectance fourier-transform mid-infrared spectroscopy as a method of characterizing changes in soil organic matter

USDA-ARS?s Scientific Manuscript database

Diffuse-Reflectance Fourier-Transform Mid-Infrared Spectroscopy (MidIR) can identify the presence of important organic functional groups in soil organic matter (SOM). Soils contain myriad organic and inorganic components that absorb in the MidIR so spectral interpretation needs to be validated in or...

Relating structure with morphology: A comparative study of perfect Langmuir Blodgett multilayers

NASA Astrophysics Data System (ADS)

Mukherjee, Smita; Datta, Alokmay; Giglia, Angelo; Mahne, Nichole; Nannarone, Stefano

2008-01-01

Atomic force microscopy and X-ray reflectivity of metal-stearate (MSt) Langmuir-Blodgett films on hydrophilic Silicon (1 0 0), show dramatic reduction in 'pinhole' defects when metal M is changed from Cd to Co, along with excellent periodicity in multilayer, with hydrocarbon tails tilted 9.6° from vertical for CoSt (untilted for CdSt). Near edge X-ray absorption fine structure (NEXAFS) and Fourier transform infra-red (FTIR) spectroscopies indicate bidentate bridging metal-carboxylate coordination in CoSt (unidentate in CdSt), underscoring role of headgroup structure in determining morphology. FTIR studies also show increased packing density in CoSt, consistent with increased coverage.

Interface morphology of Mo/Si multilayer systems with varying Mo layer thickness studied by EUV diffuse scattering.

PubMed

Haase, Anton; Soltwisch, Victor; Braun, Stefan; Laubis, Christian; Scholze, Frank

2017-06-26

We investigate the influence of the Mo-layer thickness on the EUV reflectance of Mo/Si mirrors with a set of unpolished and interface-polished Mo/Si/C multilayer mirrors. The Mo-layer thickness is varied in the range from 1.7 nm to 3.05 nm. We use a novel combination of specular and diffuse intensity measurements to determine the interface roughness throughout the multilayer stack and do not rely on scanning probe measurements at the surface only. The combination of EUV and X-ray reflectivity measurements and near-normal incidence EUV diffuse scattering allows to reconstruct the Mo layer thicknesses and to determine the interface roughness power spectral density. The data analysis is conducted by applying a matrix method for the specular reflection and the distorted-wave Born approximation for diffuse scattering. We introduce the Markov-chain Monte Carlo method into the field in order to determine the respective confidence intervals for all reconstructed parameters. We unambiguously detect a threshold thickness for Mo in both sample sets where the specular reflectance goes through a local minimum correlated with a distinct increase in diffuse scatter. We attribute that to the known appearance of an amorphous-to-crystallization transition at a certain thickness threshold which is altered in our sample system by the polishing.

Epithelial cancers and photon migration: Monte Carlo simulations and diffuse reflectance measurements

NASA Astrophysics Data System (ADS)

Tubiana, Jerome; Kass, Alex J.; Newman, Maya Y.; Levitz, David

2015-07-01

Detecting pre-cancer in epithelial tissues such as the cervix is a challenging task in low-resources settings. In an effort to achieve low cost cervical cancer screening and diagnostic method for use in low resource settings, mobile colposcopes that use a smartphone as their engine have been developed. Designing image analysis software suited for this task requires proper modeling of light propagation from the abnormalities inside tissues to the camera of the smartphones. Different simulation methods have been developed in the past, by solving light diffusion equations, or running Monte Carlo simulations. Several algorithms exist for the latter, including MCML and the recently developed MCX. For imaging purpose, the observable parameter of interest is the reflectance profile of a tissue under some specific pattern of illumination and optical setup. Extensions of the MCX algorithm to simulate this observable under these conditions were developed. These extensions were validated against MCML and diffusion theory for the simple case of contact measurements, and reflectance profiles under colposcopy imaging geometry were also simulated. To validate this model, the diffuse reflectance profiles of tissue phantoms were measured with a spectrometer under several illumination and optical settings for various homogeneous tissues phantoms. The measured reflectance profiles showed a non-trivial deviation across the spectrum. Measurements of an added absorber experiment on a series of phantoms showed that absorption of dye scales linearly when fit to both MCX and diffusion models. More work is needed to integrate a pupil into the experiment.

Time-dependent diffuse reflectance spectroscopy for in vivo characterization of pediatric epileptogenic brain lesions

NASA Astrophysics Data System (ADS)

Oh, Sanghoon; Ragheb, John; Bhatia, Sanjiv; Sandberg, David; Johnson, Mahlon; Fernald, Bradley; Lin, Wei-Chiang

2008-02-01

Optical spectroscopy for in vivo tissue diagnosis is performed traditionally in a static manner; a snap shot of the tissue biochemical and morphological characteristics is captured through the interaction between light and the tissue. This approach does not capture the dynamic nature of a living organ, which is critical to the studies of brain disorders such as epilepsy. Therefore, a time-dependent diffuse reflectance spectroscopy system with a fiber-optic probe was designed and developed. The system was designed to acquire broadband diffuse reflectance spectra (240 ~ 932 nm) at an acquisition rate of 33 Hz. The broadband spectral acquisition feature allows simultaneous monitoring of various physiological characteristics of tissues. The utility of such a system in guiding pediatric epilepsy surgery was tested in a pilot clinical study including 13 epilepsy patients and seven brain tumor patients. The control patients were children undergoing suregery for brain tumors in which measurements were taken from normal brain exposed during the surgery. Diffuse reflectance spectra were acquired for 12 seconds from various parts of the brain of the patients during surgery. Recorded spectra were processed and analyzed in both spectral and time domains to gain insights into the dynamic changes in, for example, hemodynamics of the investigated brain tissue. One finding from this pilot study is that unsynchronized alterations in local blood oxygenation and local blood volume were observed in epileptogenic cortex. These study results suggest the advantage of using a time-dependent diffuse reflectance spectroscopy system to study epileptogenic brain in vivo.

Infrared deflectometry for the inspection of diffusely specular surfaces

NASA Astrophysics Data System (ADS)

Höfer, Sebastian; Burke, Jan; Heizmann, Michael

2016-12-01

Deflectometry is a full-field gradient technique that lends itself very well to testing specular surfaces. It uses the geometry of specular reflection to determine the gradient of the surface under inspection. In consequence, a necessary precondition to apply deflectometry is the presence of at least partially specular reflection. Surfaces with larger roughness have increasingly diffuse reflection characteristics, making them inaccessible to usual deflectometry. However, many industrially relevant surfaces exist that change their reflection characteristic during production and processing. An example is metal sheets that are used as car body parts. Whereas the molded but otherwise raw metal sheets show a mostly diffuse reflection without sufficient specular reflection, the final car body panels have a high specular reflectance due to the lacquering. In consequence, it would be advantageous to apply the same inspection approach both for the raw material and for the final product. To solve this challenge, specular reflection from rough surfaces can be achieved using light with a larger wavelength, as the specular reflectivity of a surface depends on the ratio of the surface roughness and the wavelength of the light applied. Wavelengths in the thermal infrared range create enough specular reflection to apply deflectometry on many visually rough metal surfaces. This contribution presents the principles of thermal deflectometry, its special challenges, and illustrates its use with examples from the inspection of industrially produced surfaces.

Nanocrystalline diamond sensor targeted for selective CRP detection: an ATR-FTIR spectroscopy study.

PubMed

Andersson, Per Ola; Viberg, Pernilla; Forsberg, Pontus; Nikolajeff, Fredrik; Österlund, Lars; Karlsson, Mikael

2016-05-01

Protein immobilization on functionalized fluorine-terminated nanocrystalline (NCD) films was studied by attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy using an immobilization protocol developed to specifically bind C-reactive protein (CRP). Using an ATR-FTIR spectroscopy method employing a force-controlled anvil-type configuration, three critical steps of the ex situ CRP immobilization were analyzed. First, the NCD surface was passivated by deposition of a copolymer layer consisting of polyethylene oxide and polypropylene oxide. Second, a synthetic modified polypeptide binder with high affinity to CRP was covalently attached to the polymeric film. Third, CRP dissolved in aqueous buffer in concentrations of 10-20 μg/mL was added on the functionalized NCD surface. Both the amide I and II bands, due to the polypeptide binder and CRP, were clearly observed in ATR-FTIR spectra. CRP amide I bands were extracted from difference spectra and yielded bands that agreed well with the reported amide I band of free (non-bonded) CRP in solution. Thus, our results show that CRP retains its secondary structure when it is attached to the polypeptide binders. Compared to previous IR studies of CRP in solution, about 200 times lower concentration was applied in the present study. Graphical Abstract Direct non-destructive ATR-FTIR analysis of C-reactive protein (CRP) selectively bound to functionalized nanocrystalline diamond (NCD) sensor surface.

Human papillomavirus detection using PCR and ATR-FTIR for cervical cancer screening

NASA Astrophysics Data System (ADS)

Rymsza, Taciana; Ribeiro, Eliane Aline; de Carvalho, Luis Felipe das Chagas e. Silva; Bhattacharjee, Tanmoy; de Azevedo Canevari, Renata

2018-05-01

The human papillomavirus (HPV) genital infection is considered one of the most common sexually transmitted diseases worldwide, and has been associated with cervical cancer. The objective of this study was to investigate the efficacy of the diagnostic methods: polymerase chain reaction (PCR) and Fourier transform infrared (FTIR) equipped with an ATR (Attenuated Total Reflectance) unit (Pike Tech) spectroscopy, to diagnose HPV infection in women undergoing gynecological examination. Seventeen patients (41.46%) of the 41 patients analyzed were diagnosed with exophytic/condyloma acuminate lesions by clinical analysis, 29 patients (70.7%) (G1 group) of the 41 patients, showed positive result for HPV cell injury by oncotic colpocitology and 12 patients (29.3%) (G2 group), presented negative result for cellular lesion and absence of clinical HPV lesion. Four samples were obtained per patient, which were submitted oncotic colpocitology analysis (Papanicolau staining, two samples), PCR (one sample) and ATR-FTIR analysis (one sample). L1 gene was amplified by PCR technique with specific GP5+/GP6+ and MY09/MY11 primers. PCR results were uniformly positive for presence of HPV in all analyzed samples. Multivariate analysis of ATR-FTIR spectra suggests no significant biochemical changes between groups and no clustering formed, concurring with results of PCR. This study suggests that PCR and ATR-FTIR are highly sensitive technique for HPV detection.

A comparative investigation of metal-support interactions on the catalytic activity of Pt nanoparticles for ethanol oxidation in alkaline medium

NASA Astrophysics Data System (ADS)

Godoi, Denis R. M.; Villullas, Hebe M.; Zhu, Fu-Chun; Jiang, Yan-Xia; Sun, Shi-Gang; Guo, Junsong; Sun, Lili; Chen, Rongrong

2016-04-01

The effects of interactions of Pt nanoparticles with hybrid supports on reactivity towards ethanol oxidation in alkaline solution are investigated. Studies involve catalysts with identical Pt nanoparticles on six hybrid supports containing carbon powder and transition metal oxides (TiO2, ZrO2, SnO2, CeO2, MoO3 and WO3). In situ X-ray absorption spectroscopy (XAS) results evidence that metal-support interactions produce changes in the Pt 5d band vacancy, which appears to determine the catalytic activity. The highest and lowest activities are observed for Pt nanoparticles on hybrid supports containing TiO2 and CeO2, respectively. Further studies are presented for these two catalysts. In situ FTIR reflection spectroscopy measurements, taken using both multi-stepped FTIR spectroscopy (MS-FTIR) and single potential alteration FTIR spectroscopy (SPA-FTIR), evidence that the main product of ethanol oxidation is acetate, although signals attributed to carbonate and CO2 indicate some differences in CO2 production. Fuel cell performances of these catalysts, tested in a 4.5 cm2 single cell at different temperatures (40-90 °C) show good agreement with data obtained by electrochemical techniques. Results of this comprehensive study point out the possibility of compensating a reduction of noble metal load with an increase in activity promoted by interactions between metallic nanoparticles and a support.

Human papillomavirus detection using PCR and ATR-FTIR for cervical cancer screening.

PubMed

Rymsza, Taciana; Ribeiro, Eliane Aline; de Carvalho, Luis Felipe das Chagas E Silva; Bhattacharjee, Tanmoy; de Azevedo Canevari, Renata

2018-05-05

The human papillomavirus (HPV) genital infection is considered one of the most common sexually transmitted diseases worldwide, and has been associated with cervical cancer. The objective of this study was to investigate the efficacy of the diagnostic methods: polymerase chain reaction (PCR) and Fourier transform infrared (FTIR) equipped with an ATR (Attenuated Total Reflectance) unit (Pike Tech) spectroscopy, to diagnose HPV infection in women undergoing gynecological examination. Seventeen patients (41.46%) of the 41 patients analyzed were diagnosed with exophytic/condyloma acuminate lesions by clinical analysis, 29 patients (70.7%) (G1 group) of the 41 patients, showed positive result for HPV cell injury by oncotic colpocitology and 12 patients (29.3%) (G2 group), presented negative result for cellular lesion and absence of clinical HPV lesion. Four samples were obtained per patient, which were submitted oncotic colpocitology analysis (Papanicolau staining, two samples), PCR (one sample) and ATR-FTIR analysis (one sample). L1 gene was amplified by PCR technique with specific GP5+/GP6+ and MY09/MY11 primers. PCR results were uniformly positive for presence of HPV in all analyzed samples. Multivariate analysis of ATR-FTIR spectra suggests no significant biochemical changes between groups and no clustering formed, concurring with results of PCR. This study suggests that PCR and ATR-FTIR are highly sensitive technique for HPV detection. Copyright © 2018 Elsevier B.V. All rights reserved.

Study of fibrinogen adsorption on hydroxyapatite and TiO2 surfaces by electrochemical piezoelectric quartz crystal impedance and FTIR-ATR spectroscopy.

PubMed

Yang, Qin; Zhang, Youyu; Liu, Meiling; Ye, Min; Zhang, YuQin; Yao, Shouzhuo

2007-07-30

The electrochemical piezoelectric quartz crystal impedance (EQCI), a combined technique of piezoelectric quartz crystal impedance (PQCI), electrochemical impedance (EI), and Fourier transform infrared spectroscopy-attenuated total internal reflectance spectroscopy (FTIR-ATR) were used to in situ study the adsorption process of fibrinogen onto the surface of biomaterials-TiO2 and hydroxyapatite (Ca5(PO4)3OH, HAP). The equivalent circuit parameters, the resonance frequencies and the half peak width of the conductance spectrum of the two biomaterial-modified piezoelectric quartz crystal (PQC) resonances as well as the FTIR-ATR spectra of fibrinogen during fibrinogen adsorption on TiO2 and HAP particles modified electrode surface were obtained. The adsorption kinetics and mechanism of fibrinogen were investigated and discussed as well. The results suggested that two consecutive steps occurred during the adsorption of fibrinogen onto TiO2 and hydroxyapatite (HAP) surface. The fibrinogen molecules were firstly adsorbed onto the surface, and then the rearrangement of adsorbed fibrinogen or multi-layered adsorption occurred. The FTIR-ATR spectroscopy investigations showed that the secondary structure of fibrinogen molecules was altered during the adsorption and the adsorption kinetics of fibrinogen related with the variety of biomaterials. These experimental results suggest a way for enriching biological analytical science and developing new applications of analytical techniques, such as PQCI, EI, and FTIR-ATR.

Analysis of Moisture Content in Beetroot using Fourier Transform Infrared Spectroscopy and by Principal Component Analysis.

PubMed

Nesakumar, Noel; Baskar, Chanthini; Kesavan, Srinivasan; Rayappan, John Bosco Balaguru; Alwarappan, Subbiah

2018-05-22

The moisture content of beetroot varies during long-term cold storage. In this work, we propose a strategy to identify the moisture content and age of beetroot using principal component analysis coupled Fourier transform infrared spectroscopy (FTIR). Frequent FTIR measurements were recorded directly from the beetroot sample surface over a period of 34 days for analysing its moisture content employing attenuated total reflectance in the spectral ranges of 2614-4000 and 1465-1853 cm -1 with a spectral resolution of 8 cm -1 . In order to estimate the transmittance peak height (T p ) and area under the transmittance curve [Formula: see text] over the spectral ranges of 2614-4000 and 1465-1853 cm -1 , Gaussian curve fitting algorithm was performed on FTIR data. Principal component and nonlinear regression analyses were utilized for FTIR data analysis. Score plot over the ranges of 2614-4000 and 1465-1853 cm -1 allowed beetroot quality discrimination. Beetroot quality predictive models were developed by employing biphasic dose response function. Validation experiment results confirmed that the accuracy of the beetroot quality predictive model reached 97.5%. This research work proves that FTIR spectroscopy in combination with principal component analysis and beetroot quality predictive models could serve as an effective tool for discriminating moisture content in fresh, half and completely spoiled stages of beetroot samples and for providing status alerts.

Physiological basis for noninvasive skin cancer diagnosis using diffuse reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, Yao; Markey, Mia K.; Tunnell, James W.

2017-02-01

Diffuse reflectance spectroscopy offers a noninvasive, fast, and low-cost alternative to visual screening and biopsy for skin cancer diagnosis. We have previously acquired reflectance spectra from 137 lesions in 76 patients and determined the capability of spectral diagnosis using principal component analysis (PCA). However, it is not well elucidated why spectral analysis enables tissue classification. To provide the physiological basis, we used the Monte Carlo look-up table (MCLUT) model to extract physiological parameters from those clinical data. The MCLUT model results in the following physiological parameters: oxygen saturation, hemoglobin concentration, melanin concentration, vessel radius, and scattering parameters. Physiological parameters show that cancerous skin tissue has lower scattering and larger vessel radii, compared to normal tissue. These results demonstrate the potential of diffuse reflectance spectroscopy for detection of early precancerous changes in tissue. In the future, a diagnostic algorithm that combines these physiological parameters could be enable non-invasive diagnosis of skin cancer.

Reflectance spectroscopy for noninvasive evaluation of hair follicle stage

NASA Astrophysics Data System (ADS)

Liu, Caihua; Guan, Yue; Wang, Jianru; Zhong, Xiewei; Liu, Xiuli; Zhu, Dan

2015-05-01

Hair follicle offers an excellent model for systems biology and regenerative medicine. So far, the stages of hair follicle growth have been evaluated by histological examination. In this work, a noninvasive spectroscopy was proposed by measuring the diffuse reflectance of mouse skin and analyzing the melanin value. Results show that the skin diffuse reflectance was relatively high when hair follicles were at the telogen stage and at the beginning of the anagen stage, and decreased with the progression of the anagen stage. When the hair follicle entered into the catagen stage, the diffuse reflectance gradually increased. The changes in the melanin content of skin had contrary dynamics. Substages of the hair follicle cycle could be distinguished by comparing the changes in melanin value with the histological examination. This study provided a new method for noninvasive evaluation of the hair follicle stage, and should be valuable for basic and therapeutic investigations on hair regeneration.

Sound propagation in street canyons: comparison between diffusely and geometrically reflecting boundaries

PubMed

Kang

2000-03-01

This paper systematically compares the sound fields in street canyons with diffusely and geometrically reflecting boundaries. For diffuse boundaries, a radiosity-based theoretical/computer model has been developed. For geometrical boundaries, the image source method has been used. Computations using the models show that there are considerable differences between the sound fields resulting from the two kinds of boundaries. By replacing diffuse boundaries with geometrical boundaries, the sound attenuation along the length becomes significantly less; the RT30 is considerably longer; and the extra attenuation caused by air or vegetation absorption is reduced. There are also some similarities between the sound fields under the two boundary conditions. For example, in both cases the sound attenuation along the length with a given amount of absorption is the highest if the absorbers are arranged on one boundary and the lowest if they are evenly distributed on all boundaries. Overall, the results suggest that, from the viewpoint of urban noise reduction, it is better to design the street boundaries as diffusely reflective rather than acoustically smooth.

FTIR as an easy and fast analytical approach to follow up microbial growth during fungal pretreatment of poplar wood with Phanerochaete chrysosporium.

PubMed

Cornet, I; Wittner, N; Tofani, G; Tavernier, S

2018-02-01

Since the determination of the fermentation kinetics is one of the main challenges in solid state fermentation, the quantitative measurement of biomass growth during microbial pretreatment by FTIR spectroscopy in Attenuated Total Reflectance mode was evaluated. Peaks at wave numbers of 1651 cm -1 and 1593 cm -1 showed to be affected during pretreatment of poplar wood particles by Phanerochaete chrysosporium MUCL 19343. Samples with different microbial biomass fractions were obtained from two different experiments, i.e., shake flask and fixed-bed reactor experiments. The glucosamine concentration was compared to the normalized absorbance ratio of the 1651 cm -1 to 1593 cm -1 peak, measured by FTIR-ATR, and resulted in a linear relationship. The application of a normalized absorbance ratio in function of time provided a graph that was similar to the microbial growth curve. Application of FTIR in ATR mode to follow-up kinetics during solid state fermentation seems to be a fast and easy alternative to laborious measurement techniques, such as glucosamine determination. Copyright © 2018 Elsevier B.V. All rights reserved.

Rapid detection of gelatin in dental materials using attenuated total reflection fourier transform infrared spectroscopy (ATR-FTIR)

NASA Astrophysics Data System (ADS)

Irfanita, N.; Jaswir, I.; Mirghani, M. E. S.; Sukmasari, S.; Ardini, Y. D.; Lestari, W.

2017-08-01

The presence of gelatin is not limited to food products but has also been found in pharmaceuticals. Most dental materials available in Malaysia are imported from other countries and might contain gelatin which is a protein derived either from porcine, bovine or other animal sources. Authentication of gelatin is crucial due to religious and health concerns. Therefore, this study aimed to detect gelatin in dental materials using ATR-FTIR. Forty two samples of dental material were purchased from dental suppliers and detection was done using ATR-FTIR. The spectrum from each sample was compared against standard bovine and porcine gelatin. Experimental dental paste containing bovine and porcine gelatin at concentrations of 5, 10, 15 and 20% were also prepared for quantification analysis. The results showed that gelatin was present in nine out of forty two samples of dental materials but the species of origin was not confirmed. Meanwhile, in the experimental bovine and porcine dental paste, it was seen that as the concentration increased, the intensity of the absorption of Amide group also increased. Thus, ATR-FTIR can be utilized as a reliable tool to detect gelatin in dental materials and other pharmaceuticals.

DSC, X-ray and FTIR studies of a gemfibrozil/dimethyl-β-cyclodextrin inclusion complex produced by co-grinding.

PubMed

Aigner, Z; Berkesi, O; Farkas, G; Szabó-Révész, P

2012-01-05

The steps of formation of an inclusion complex produced by the co-grinding of gemfibrozil and dimethyl-β-cyclodextrin were investigated by differential scanning calorimetry (DSC), X-ray powder diffractometry (XRPD) and Fourier transform infrared (FTIR) spectroscopy with curve-fitting analysis. The endothermic peak at 59.25°C reflecting the melting of gemfibrozil progressively disappeared from the DSC curves of the products on increase of the duration of co-grinding. The crystallinity of the samples too gradually decreased, and after 35min of co-grinding the product was totally amorphous. Up to this co-grinding time, XRPD and FTIR investigations indicated a linear correlation between the cyclodextrin complexation and the co-grinding time. After co-grinding for 30min, the ratio of complex formation did not increase. These studies demonstrated that co-grinding is a suitable method for the complexation of gemfibrozil with dimethyl-β-cyclodextrin. XRPD analysis revealed the amorphous state of the gemfibrozil-dimethyl-β-cyclodextrin product. FTIR spectroscopy with curve-fitting analysis may be useful as a semiquantitative analytical method for discriminating the molecular and amorphous states of gemfibrozil. Copyright © 2011 Elsevier B.V. All rights reserved.

Relationships between diffuse reflectance and vegetation canopy variables based on the radiative transfer theory

NASA Technical Reports Server (NTRS)

Park, J. K.; Deering, D. W.

1981-01-01

Out of the lengthy original expression of the diffuse reflectance formula, simple working equations were derived by employing characteristic parameters, which are independent of the canopy coverage and identifiable by field observations. The typical asymptotic nature of reflectance data that is usually observed in biomass studies was clearly explained. The usefulness of the simplified equations was demonstrated by the exceptionally close fit of the theoretical curves to two separately acquired data sets for alfalfa and shortgrass prairie canopies.

Diffusely Reflecting Paints Containing TFE

NASA Technical Reports Server (NTRS)

Shai, M. C.; Schutt, J. B.

1985-01-01

Highly reflective, diffused coatings developed by incorporating polytetrafluoroethylene (TFE) pigment with alcohol-soluble binders. Alcohol and binder mixed together in blender before adding TFE. TFE preferably outgassed in mechanical-pump vacuum for typical interval of 4 hours before adding to liquid. Like wetting agent, vacuum treatment helps to prevent clumping of TFE and eases dispersion throughout mixture. Mixture blended for 3 to 5 minutes before used. Coatings useful on reflectance-standard surfaces for calibrating radiometric instruments in both laboratory and field. Paints washable and usable as optical reference surfaces.

Noninvasive diagnostics of skin microphysical parameters based on spatially resolved diffuse reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Lisenko, S. A.; Kugeiko, M. M.

2013-01-01

The ability to determine noninvasively microphysical parameters (MPPs) of skin characteristic of malignant melanoma was demonstrated. The MPPs were the melanin content in dermis, saturation of tissue with blood vessels, and concentration and effective size of tissue scatterers. The proposed method was based on spatially resolved spectral measurements of skin diffuse reflectance and multiple regressions between linearly independent measurement components and skin MPPs. The regressions were established by modeling radiation transfer in skin with a wide variation of its MPPs. Errors in the determination of skin MPPs were estimated using fiber-optic measurements of its diffuse reflectance at wavelengths of commercially available semiconductor diode lasers (578, 625, 660, 760, and 806 nm) at source-detector separations of 0.23-1.38 mm.

Determination of optical band gap of powder-form nanomaterials with improved accuracy

NASA Astrophysics Data System (ADS)

Ahsan, Ragib; Khan, Md. Ziaur Rahman; Basith, Mohammed Abdul

2017-10-01

Accurate determination of a material's optical band gap lies in the precise measurement of its absorption coefficients, either from its absorbance via the Beer-Lambert law or diffuse reflectance spectrum via the Kubelka-Munk function. Absorption coefficients of powder-form nanomaterials calculated from absorbance spectrum do not match those calculated from diffuse reflectance spectrum, implying the inaccuracy of the traditional optical band gap measurement method for such samples. We have modified the Beer-Lambert law and the Kubelka-Munk function with proper approximations for powder-form nanomaterials. Applying the modified method for powder-form nanomaterial samples, both absorbance and diffuse reflectance spectra yield exactly the same absorption coefficients and therefore accurately determine the optical band gap.

Landsat test of diffuse reflectance models for aquatic suspended solids measurement

NASA Technical Reports Server (NTRS)

Munday, J. C., Jr.; Alfoldi, T. T.

1979-01-01

Landsat radiance data were used to test mathematical models relating diffuse reflectance to aquatic suspended solids concentration. Digital CCT data for Landsat passes over the Bay of Fundy, Nova Scotia were analyzed on a General Electric Co. Image 100 multispectral analysis system. Three data sets were studied separately and together in all combinations with and without solar angle correction. Statistical analysis and chromaticity analysis show that a nonlinear relationship between Landsat radiance and suspended solids concentration is better at curve-fitting than a linear relationship. In particular, the quasi-single-scattering diffuse reflectance model developed by Gordon and coworkers is corroborated. The Gordon model applied to 33 points of MSS 5 data combined from three dates produced r = 0.98.

Cortexin diffusion in human eye sclera

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

Genina, Elina A; Bashkatov, A N; Tuchin, Valerii V

2011-05-31

Investigation of the diffusion of cytamines, a typical representative of which is cortexin, is important for evaluating the drug dose, necessary to provide sufficient concentration of the preparation in the inner tissues of the eye. In the present paper, the cortexin diffusion rate in the eye sclera is measured using the methods of optical coherence tomography (OCT) and reflectance spectroscopy. The technique for determining the diffusion coefficient is based on the registration of temporal dependence of the eye sclera scattering parameters caused by partial replacement of interstitial fluid with the aqueous cortexin solution, which reduces the level of the OCTmore » signal and decreases the reflectance of the sclera. The values of the cortexin diffusion coefficient obtained using two independent optical methods are in good agreement. (optical technologies in biophysics and medicine)« less

Characteristic Study of Shenmu Bituminous Coal Combustion with Online TG-MS-FTIR

NASA Astrophysics Data System (ADS)

Pan, Guanfu

2018-01-01

The combustion characteristics of Shenmu bituminous pulverized coal (SBC) were comprehensively investigated with a combined TG-MS-FTIR system by considering the effect of particle size, heating rate and total flowrate. The combustion products were accurately quantified by normalization and numerical analysis of MS results. The results indicate that the decrease of the particle size, heating rate and total flowrate result in lower ignition and burnout temperatures. The activation energy tends to be lower with smaller particle size, lower heating rate and total flowrate. The MS and FTIR results demonstrate that lower concentrations of different products, such as NO, NO2, HCN, CH4 and SO2 were produced with smaller particle size, slower heating rate and lower total flowrate. The decrease of particle size would lead to more contact area with oxygen and slower heating rate could provide more sufficient time for the diffusion. High total flowrate would reduce the oxygen adsorbability on the coal particle surface and shorten the residence time of oxygen, which makes the ignition difficult to occur. This work will guide to understand the combustion kinetics of pulverized coals and be beneficial to control the formation of pollutants.

Surveillance system for air pollutants by combination of the decision support system COMPAS and optical remote sensing systems

NASA Astrophysics Data System (ADS)

Flassak, Thomas; de Witt, Helmut; Hahnfeld, Peter; Knaup, Andreas; Kramer, Lothar

1995-09-01

COMPAS is a decision support system designed to assist in the assessment of the consequences of accidental releases of toxic and flammable substances. One of the key elements of COMPAS is a feedback algorithm which allows us to calculate the source term with the aid of concentration measurements. Up to now the feedback technique is applied to concentration measurements done with test tubes or conventional point sensors. In this paper the extension of the actual method is presented which is the combination of COMPAS and an optical remote sensing system like the KAYSER-THREDE K300 FTIR system. Active remote sensing methods based on FTIR are, among other applications, ideal for the so-called fence line monitoring of the diffuse emissions and accidental releases from industrial facilities, since from the FTIR spectra averaged concentration levels along the measurement path can be achieved. The line-averaged concentrations are ideally suited as on-line input for COMPAS' feedback technique. Uncertainties in the assessment of the source term related with both shortcomings of the dispersion model itself and also problems of a feedback strategy based on point measurements are reduced.

Laser induced Te diffusion in amorphous As50Se50 thin films probed by FTIR and XPS

NASA Astrophysics Data System (ADS)

Behera, Mukta; Panda, Rozalin; Naik, Ramakanta

2017-05-01

In the present report, we have demonstrated the combine effect of deposition and photo diffusion of Te into As50Se50 chalcogenide thin films. The influence of Te deposition onto As50Se50 layer has modified the optical parameters. The thermally evaporated Te/As50Se50 bilayer film is irradiated with near bandgap laser light. The optical and structural property of Te/As50Se50 bilayer film under the influence of laser irradiation has been investigated by X-ray photo electron spectroscopy and Fourier transform infrared spectroscopy. The As3d, Se3d and Te4d core level peaks of the photo diffused film show significant changes in shape and position in comparisons with those obtained for non irradiated films. The extensive analysis by deconvoluting the spectra shows the Te diffusion into As50Se50 matrix by forming Te-As-Se layer. The optical band gap of the diffused region is found to be decreased with the increase of density of states in the band edge. The change in transmissivity and absorption coefficient modified the optical constants which is discussed in the light of the present result.

Implementation of cost-effective diffuse light source mechanism to reduce specular reflection and halo effects for resistor-image processing

NASA Astrophysics Data System (ADS)

Chen, Yung-Sheng; Wang, Jeng-Yau

2015-09-01

Light source plays a significant role to acquire a qualified image from objects for facilitating the image processing and pattern recognition. For objects possessing specular surface, the phenomena of reflection and halo appearing in the acquired image will increase the difficulty of information processing. Such a situation may be improved by the assistance of valuable diffuse light source. Consider reading resistor via computer vision, due to the resistor's specular reflective surface it will face with a severe non-uniform luminous intensity on image yielding a higher error rate in recognition without a well-controlled light source. A measurement system including mainly a digital microscope embedded in a replaceable diffuse cover, a ring-type LED embedded onto a small pad carrying a resistor for evaluation, and Arduino microcontrollers connected with PC, is presented in this paper. Several replaceable cost-effective diffuse covers made by paper bowl, cup and box inside pasted with white paper are presented for reducing specular reflection and halo effects and compared with a commercial diffuse some. The ring-type LED can be flexibly configured to be a full or partial lighting based on the application. For each self-made diffuse cover, a set of resistors with 4 or 5 color bands are captured via digital microscope for experiments. The signal-to-noise ratio from the segmented resistor-image is used for performance evaluation. The detected principal axis of resistor body is used for the partial LED configuration to further improve the lighting condition. Experimental results confirm that the proposed mechanism can not only evaluate the cost-effective diffuse light source but also be extended as an automatic recognition system for resistor reading.

Diffuse interstellar bands in reflection nebulae

NASA Technical Reports Server (NTRS)

Fischer, O.; Henning, Thomas; Pfau, Werner; Stognienko, R.

1994-01-01

A Monte Carlo code for radiation transport calculations is used to compare the profiles of the lambda lambda 5780 and 6613 Angstrom diffuse interstellar bands in the transmitted and the reflected light of a star embedded within an optically thin dust cloud. In addition, the behavior of polarization across the bands were calculated. The wavelength dependent complex indices of refraction across the bands were derived from the embedded cavity model. In view of the existence of different families of diffuse interstellar bands the question of other parameters of influence is addressed in short.

MODIS Solar Diffuser Attenuation Screen Modeling Results

NASA Technical Reports Server (NTRS)

Waluschka, Eugene; Xuong, Xiaoxiong; Guenther, Bruce; Barnes, William

2004-01-01

On-orbit calibration of the reflected solar bands on the EOS Moderate Resolution Imaging Spectroradiometer (MODIS) is accomplished by have the instrument view a high reflectance diffuse surface illuminated by the sun. For some of the spectral bands this proves to be much too bright a signal that results in the saturation of detectors designed for measuring low reflectance (ocean) surfaces signals. A mechanical attenuation device in the form of a pin hole screen is used to reduce the signals to calibrate these bands. The sensor response to solar illumination of the SD with and without the attenuation screen in place will be presented. The MODIS detector response to the solar diffuser is smooth when the attenuation screen is absent, but has structures up to a few percent when the attenuation screen is present. This structure corresponds to non-uniform illumination from the solar diffuser. Each pin hole produces a pin-hole image of the sun on the solar diffuser, and there are very many pin hole images of the sun on the solar diffuser for each MODIS detector. Even though there are very many pin-hole images of the sun on the solar diffuser, it is no longer perfectly uniformly illuminated. This non-uniformly illuminated solar diffuser produces intensity variation on the focal planes. The results of a very detailed simulation will be discussed which show how the illumination of the focal plane changes as a result of the attenuation, and the impacts on the calibration will be discussed.

Direct, non-destructive, and rapid evaluation of developmental cotton fibers by ATR FT-IR spectroscopy

USDA-ARS?s Scientific Manuscript database

Chemical, compositional, and structural differences within the fibers at different growth stages have been investigated considerably through a number of methodologies. Due to its direct, non-destructive, and rapid attribute, this study reports the utilization of attenuated total reflection Fourier t...

Bidirectional reflectance distribution function effects in ladar-based reflection tomography.

PubMed

Jin, Xuemin; Levine, Robert Y

2009-07-20

Light reflection from a surface is described by the bidirectional reflectance distribution function (BRDF). In this paper, BRDF effects in reflection tomography are studied using modeled range-resolved reflection from well-characterized geometrical surfaces. It is demonstrated that BRDF effects can cause a darkening at the interior boundary of the reconstructed surface analogous to the well-known beam hardening artifact in x-ray transmission computed tomography (CT). This artifact arises from reduced reflection at glancing incidence angles to the surface. It is shown that a purely Lambertian surface without shadowed components is perfectly reconstructed from range-resolved measurements. This result is relevant to newly fabricated carbon nanotube materials. Shadowing is shown to cause crossed streak artifacts similar to limited-angle effects in CT reconstruction. In tomographic reconstruction, these effects can overwhelm highly diffuse components in proximity to specularly reflecting elements. Diffuse components can be recovered by specialized processing, such as reducing glints via thresholded measurements.

Sustained Release of Naproxen in a New Kind Delivery System of Carbon Nanotubes Hydrogel

PubMed Central

Peng, Xiahui; Zhuang, Qiang; Peng, Dongming; Dong, Qiuli; Tan, Lini; Jiao, Feipeng; Liu, Linqi; Liu, jingyu; Zhao, Chenxi; Wang, Xiaomei

2013-01-01

In this paper, carbon nanotubes (CNTs) were added into chitosan (CS) hydrogels in the form of chitosan modified CNTs (CS-CNTs) composites to prepare carbon nanotubes hydrogels (CNTs-GEL). The products, named CS-MWCNTs, were characterized by scanning electron microscope (SEM) and Fourier transform infrared (FTIR) spectroscopy. Swelling properties and effect of pH on controlled release performance of the two kinds of hydrogels, CNTs- GEL and pure chitosan hydrogels without CNTs (GEL), were investigated respectively. The results showed that CNTs-GEL possess better controlled release performance than GEL. The releasing equilibrium time of CNTs-GEL was longer than that of GEL in both pH = w7.4 and pH=1.2 conditions, although the release ratios of the model drug are similar in the same pH buffer solutions. It is found that release kinetics is better fitted Ritger-Peppas empirical model indicating a fick-diffusion process in pH = 1.2, while in pH = 7.4 it was non-fick diffusion involving surface diffusion and corrosion diffusion processes. PMID:24523738

Numerical Modelling of the Sound Fields in Urban Streets with Diffusely Reflecting Boundaries

NASA Astrophysics Data System (ADS)

KANG, J.

2002-12-01

A radiosity-based theoretical/computer model has been developed to study the fundamental characteristics of the sound fields in urban streets resulting from diffusely reflecting boundaries, and to investigate the effectiveness of architectural changes and urban design options on noise reduction. Comparison between the theoretical prediction and the measurement in a scale model of an urban street shows very good agreement. Computations using the model in hypothetical rectangular streets demonstrate that though the boundaries are diffusely reflective, the sound attenuation along the length is significant, typically at 20-30 dB/100 m. The sound distribution in a cross-section is generally even unless the cross-section is very close to the source. In terms of the effectiveness of architectural changes and urban design options, it has been shown that over 2-4 dB extra attenuation can be obtained either by increasing boundary absorption evenly or by adding absorbent patches on the façades or the ground. Reducing building height has a similar effect. A gap between buildings can provide about 2-3 dB extra sound attenuation, especially in the vicinity of the gap. The effectiveness of air absorption on increasing sound attenuation along the length could be 3-9 dB at high frequencies. If a treatment is effective with a single source, it is also effective with multiple sources. In addition, it has been demonstrated that if the façades in a street are diffusely reflective, the sound field of the street does not change significantly whether the ground is diffusely or geometrically reflective.

MODIS Solar Diffuser On-orbit Performance

NASA Technical Reports Server (NTRS)

Xiong, Xiaoxiong; Chen, H.; Choi, T.; Sun, J.; Angal, A.

2008-01-01

MODIS is a key instrument for the NASA Earth Observing System (EOS), currently operated on both the Terra and Aqua missions. Each MODIS instrument has 20 reflective solar bands (RSBs) and 16 thermal emissive bands (TEBs). MODIS RSB on-orbit calibration is reflectance based using an on-board solar diffuser (SD). The SD bi-directional reflectance factors (BRFs) were characterized pre-launch using reference diffuser samples, which are traceable to NIST reflectance standards. The SD BRF on-orbit degradation (or change) is tracked by another onboard device, called the solar diffuser stability monitor (SDSM). The SDSM is operated during each scheduled SD calibration event, making alternate observations of direct sunlight and the diffusely reflected sunlight from the SD. The time series of the ratios of SDSM's SD view to its Sun view provide SD degradation information. This paper presents and compares the Terra and Aqua MODIS SD on-orbit performance. Results show that the SD on-orbit degradation depends on the amount of solar exposure of the SD plate. In addition, it is strongly wavelengthdependent, with a larger degradation rate at shorter wavelengths. For Terra MODIS, an SD door anomaly occurred in May 2003 that led to a decision to fix the door permanently at an "open" position. Since then, the SD degradation rate has significantly increased due to more frequent solar exposure. As expected, the SD on-orbit performance directly impacts the RSB calibration performance. The lessons learned from MODIS on-orbit calibration will provide useful insights into the development and operation of future SD calibration systems.

Accelerated rescaling of single Monte Carlo simulation runs with the Graphics Processing Unit (GPU).

PubMed

Yang, Owen; Choi, Bernard

2013-01-01

To interpret fiber-based and camera-based measurements of remitted light from biological tissues, researchers typically use analytical models, such as the diffusion approximation to light transport theory, or stochastic models, such as Monte Carlo modeling. To achieve rapid (ideally real-time) measurement of tissue optical properties, especially in clinical situations, there is a critical need to accelerate Monte Carlo simulation runs. In this manuscript, we report on our approach using the Graphics Processing Unit (GPU) to accelerate rescaling of single Monte Carlo runs to calculate rapidly diffuse reflectance values for different sets of tissue optical properties. We selected MATLAB to enable non-specialists in C and CUDA-based programming to use the generated open-source code. We developed a software package with four abstraction layers. To calculate a set of diffuse reflectance values from a simulated tissue with homogeneous optical properties, our rescaling GPU-based approach achieves a reduction in computation time of several orders of magnitude as compared to other GPU-based approaches. Specifically, our GPU-based approach generated a diffuse reflectance value in 0.08ms. The transfer time from CPU to GPU memory currently is a limiting factor with GPU-based calculations. However, for calculation of multiple diffuse reflectance values, our GPU-based approach still can lead to processing that is ~3400 times faster than other GPU-based approaches.

Attenuated Total Reflection Fourier Transform Infrared Spectroscopy (ATR FT-IR) Applied to Study the Distribution of Ink Components in Printed Newspapers.

PubMed

Gómez, Nuria; Molleda, Cristina; Quintana, Ester; Carbajo, José M; Rodríguez, Alejandro; Villar, Juan C

2016-09-01

A new method was developed to study how the oil and cyan pigments of cold-set ink are distributed in newspaper thickness. The methodology involved laboratory printing followed by delamination of the printed paper. The unprinted side, printed side, and resulting layers were analyzed using attenuated total reflection Fourier transform infrared spectroscopy (ATR FT-IR). Three commercial newspapers and black and cyan cold-set inks were chosen for the study. Attenuated total reflection Fourier transform infrared spectroscopy enabled the proportion of oil and cyan pigment on the printed surface and throughout the sheet thickness to be measured. Oil percentage was evaluated as the area increment of the region from 2800 cm(-1) to 3000 cm(-1) The relative amount of cyan pigment was determined as the area of the absorption band at 730 cm(-1) The ink oil was found mainly below half the paper thickness, whereas the pigment was detected at the layers closer to the printed surface, at a depth penetration of less than 15 µm (20% of thickness). Distribution of these two components in paper thickness depended on the type of cold-set ink, the amount of ink transferred, and the newspaper properties. © The Author(s) 2016.

Reflectance spectroscopy can quantify cutaneous haemoglobin oxygenation by oxygen uptake from the atmosphere after epidermal barrier disruption.

PubMed

Heise, H M; Lampen, P; Stücker, M

2003-11-01

The supply of oxygen to the viable skin tissue within the upper layers is not only secured by the cutaneous blood vascular system, but to a significant part also by oxygen diffusion from the atmosphere through the horny layer. The aim of this study was to examine whether changes in haemoglobin oxygenation can be observed within the isolated perfused bovine udder skin used as a skin model by removing the upper horny layer by adhesive tape stripping. Diffuse reflectance spectroscopy in the visible spectral range was used for non-invasive characterisation of haemoglobin oxygenation in skin under in vitro conditions. Mid-infrared attenuated total reflectance spectroscopy was employed for analysing the surface layer of the stratum corneum with respect to keratin, water and lipid components. Skin barrier disruption was achieved by repeated stripping of superficial corneocyte layers by adhesive tape. Significant changes in skin haemoglobin oxygenation were observed for skin areas with reduced lipid concentration and a reduced stratum corneum layer, as determined from the quantitative evaluation of the diffuse reflectance skin spectra. The result can be interpreted as an increase of oxygen diffusion after the removal of the upper horny layer.

Technique for examining biological materials using diffuse reflectance spectroscopy and the kubelka-munk function

DOEpatents

Alfano, Robert R.; Yang, Yuanlong

2003-09-02

Method and apparatus for examining biological materials using diffuse reflectance spectroscopy and the Kubelka-Munk function. In one aspect, the method is used to determine whether a tissue sample is cancerous or not and comprises the steps of (a) measuring the diffuse reflectance from the tissue sample at a first wavelength and at a second wavelength, wherein the first wavelength is a wavelength selected from the group consisting of 255-265 nm and wherein the second wavelength is a wavelength selected from the group consisting of 275-285 nm; (b) using the Kubelka-Munk function to transform the diffuse reflectance measurement obtained at the first and second wavelengths; and (c) comparing a ratio or a difference of the transformed Kubelka-Munk measurements at the first and second wavelengths to appropriate standards determine whether or not the tissue sample is cancerous. One can use the spectral profile of KMF between 250 nm to 300 nm to determine whether or not the tissue sample is cancerous or precancerous. According to the value at the first and second wavelengths determine whether or not the malignant tissue is invasive or mixed invasive and in situ or carcinoma in situ.

Role of Multiple Atmospheric Reflections in Formation of Electron Distribution Function in the Diffuse Aurora Region. Chapter 9

NASA Technical Reports Server (NTRS)

Khazanov, George V.; Himwich, Elizabeth W.; Glocer, Alex; Sibeck, David G.

2015-01-01

The precipitation of high-energy magnetospheric electrons (E greater than 500-600 electronvolts) in the diffuse aurora contributes significant energy flux into Earth's ionosphere. In the diffuse aurora, precipitating electrons initially injected from the plasmasheet via wave-particle interaction processes degrade in the atmosphere toward lower energies and produce secondary electrons via impact ionization of the neutral atmosphere. These initially precipitating electrons of magnetospheric origin can be additionally reflected back into the magnetosphere by the two magnetically conjugated atmospheres, leading to a series of multiple reflections that can greatly influence the initially precipitating flux at the upper ionospheric boundary (700-800 kilometers) and the resultant population of secondary electrons and electrons cascading toward lower energies. We present the solution of the Boltzmann.Landau kinetic equation that uniformly describes the entire electron distribution function in the diffuse aurora, including the affiliated production of secondary electrons (E is less than or equal to 600 electronvolts) and their energy interplay in the magnetosphere and two conjugated ionospheres. This solution takes into account the role of multiple atmospheric reflections of the precipitated electrons that were initially moved into the loss cone via wave.particle interaction processes in Earth's plasmasheet.

Spatially resolved, diffuse reflectance imaging for subsurface pattern visualization toward development of a lensless imaging platform: phantom experiments

NASA Astrophysics Data System (ADS)

Schelkanova, Irina; Pandya, Aditya; Saiko, Guennadi; Nacy, Lidia; Babar, Hannan; Shah, Duoaud; Lilge, Lothar; Douplik, Alexandre

2016-01-01

A portable, spatially resolved, diffuse reflectance lensless imaging technique based on the charge-coupled device or complementary metal-oxide semiconductor sensor directly coupled to the fiber optic bundle is proposed for visualization of subsurface structures such as superficial microvasculature in the epithelium. We discuss an experimental method for emulating a lensless imaging setup via raster scanning a single fiber-optic cable over a microfluidic phantom containing periodic hemoglobin absorption contrast. To evaluate the ability of the technique to recover information about the subsurface linear structures, scattering layers formed of the Sylgard® 184 Silicone Elastomer and titanium dioxide were placed atop the microfluidic phantom. Thickness of the layers ranged from 0.2 to 0.7 mm, and the values of the reduced scattering coefficient (μs‧) were between 0.85 and 4.25 mm-1. The results demonstrate that fiber-optic, lensless platform can be used for two-dimensional imaging of absorbing inclusions in diffuse reflectance mode. In these experiments, it was shown that diffuse reflectance imaging can provide sufficient spatial sampling of the phantom for differentiation of 30 μm structural features of the embedded absorbing pattern inside the scattering media.

ANALYTICAL SOLUTIONS OF THE ATMOSPHERIC DIFFUSION EQUATION WITH MULTIPLE SOURCES AND HEIGHT-DEPENDENT WIND SPEED AND EDDY DIFFUSIVITIES. (R825689C072)

EPA Science Inventory

Abstract

Three-dimensional analytical solutions of the atmospheric diffusion equation with multiple sources and height-dependent wind speed and eddy diffusivities are derived in a systematic fashion. For homogeneous Neumann (total reflection), Dirichlet (total adsorpti...

ANALYTICAL SOLUTIONS OF THE ATMOSPHERIC DIFFUSION EQUATION WITH MULTIPLE SOURCES AND HEIGHT-DEPENDENT WIND SPEED AND EDDY DIFFUSIVITIES. (R825689C048)

EPA Science Inventory

Abstract

Three-dimensional analytical solutions of the atmospheric diffusion equation with multiple sources and height-dependent wind speed and eddy diffusivities are derived in a systematic fashion. For homogeneous Neumann (total reflection), Dirichlet (total adsorpti...

Application of infrared spectroscopy in the identification of Ewing sarcoma: A preliminary report

NASA Astrophysics Data System (ADS)

Chaber, Radosław; Łach, Kornelia; Szmuc, Kamil; Michalak, Elżbieta; Raciborska, Anna; Mazur, Damian; Machaczka, Maciej; Cebulski, Józef

2017-06-01

Fourier transform infrared (FTIR) spectroscopy is a highly sensitive, non-invasive analytical technique that can provide information about molecular changes in a biological sample. FTIR spectrum is a sum of the frequencies of many biomolecules which reveals a biochemical fingerprint for mineral identification, and can be analyzed for information about the mineral structure of malignant cells. This gives us the potential to differentiate tumor cells from normal cells in the early stage of relapse, before the tumor cells would be detectable in light microscopy. Ewing sarcoma (ES) is the second most common malignant bone tumor found in children and adolescents. ES affects annually almost 3 persons/1,000,000 mostly children and young adults under 20 years of age annually. ES originates from primitive, low-differentiated neuroectodermal cells. The current standard of therapy for ES is the surgical resection of the primary tumor and metastasis in combination with the chemo- and radiotherapy. The aim of this study was to compare the spectra of ES bone samples and the spectra of normal bone tissues, analyzed before and after induction chemotherapy, by means of FTIR spectroscopy. Six patients with ES affecting bones aged 5.5-16.5 years (median age 11.2 years), who were treated between 2011 and 2015, were included to the study. In all analyzed patients, the diagnosis of ES and the assessment of response to the chemotherapy were performed according to the Euro-EWING-2008 protocol. The Fourier transform infrared spectroscope (FT-IR; Vertex 70v from Bruker) was used in this study. Tissue specimens were applied to the attenuated total reflection (ATR) in the infrared (IR) radiation from the mid-infrared range using a single-reflection snap ATR crystal diamond. In the FTIR spectra we observed a shift in the wave number of the phosphate ion (from 3 to 26 [cm-1]) associated with the presence of tumor tissue. After chemotherapy, a change of the FTIR spectrum was associated with the ES's histopathological response. In patients with a high ratio of the necrotic cells in the tumor (>90% of cells) after chemotherapy, we showed a shift of the peak ⧹ absorption bands to the higher wave numbers. In contrast, in patients with a poor chemotherapy response (<30% of necrotic cells in the tumor), we observed a decline in the peak absorption bands to the lower wave numbers. The results showed that analysis of the spectrum changes of tissue specimens in ES can be helpful in the assessment of clinical response to cancer therapy. It seems that FTIR spectroscopy is a valuable tool for his purpose. The issue awaits full elucidation in further studies on larger groups of patients with ES.

Kinetics and characterization of radiation-induced grafting of styrene on fluoropolymers

NASA Astrophysics Data System (ADS)

Guilmeau, I.; Esnouf, S.; Betz, N.; Le Moël, A.

1997-08-01

Grafting of styrene solution onto poly(ethylene-co-tetrafluoroethylene) (ETFE) was carried out by the pre-irradiation method. ETFE films were irradiated by 1.5 MeV electron beams in air. The influence of grafting temperature (50 to 80°C) has been investigated. It was found that the saturation grafting yield and the initial rate follow an Arrhenius law. The volume grafting yields were measured by FTIR spectroscopy in transmission and by weighing and the 'surface' grafting yields by FTIR-ATR. The results showed that grafting reaction is not monomer diffusion controlled in 30 μm film, nevertheless heterogeneities are revealed. By in-situ ESR, the decay of peroxy radicals was recorded under various heating and grafting conditions. These experiments suggest that the peroxy radicals react rapidly with monomer, but do not initiate the grafting process. The propagating radicals were not detectable, which may indicate that polystyrene chains are very long.

Effect of SiO2/Al2O3 Ratio on Micro-Mesopore Formation for Pt/Beta-MCM-41 via NaOH Treatment and the Catalytic Performance in N-heptane Hydro isomerization

NASA Astrophysics Data System (ADS)

Gao, Li; Shi, Zhiyuan; Liu, Yingming; Zhao, Yuanshou; Liu, Qinghua; Xu, Chengguo; Bai, Peng; Yan, Zifeng

2018-01-01

Micro-mesoporous composite material Beta-MCM-41(BM) were hydrothermally synthesized by treating parent beta with molar SiO2/Al2O3 ratios of 12.5, 20 and 30 as precursors. The influence of SiO2/Al2O3 ratio of zeolite beta on effective micro-mesoporous composite formation was studied by investigating the crystallinity, morphology, chemical composition, acidity and textural property of Beta-MCM-41 through XRD, nitrogen adsorption, SEM, TEM, NH3-TPD, FTIR and Pyridine-FTIR. The catalytic performance was evaluated in terms of n-heptane hydro isomerization. The results demonstrated that Beta-MCM-41 supported Pt catalysts showed higher selectivity to isoheptanes than Pt/Beta. It was attributed to the superiorities of the pore structure and mesoporous accelerated the diffusion of larger molecules of isoheptanes.

Effective emissivities of isothermal blackbody cavities calculated by the Monte Carlo method using the three-component bidirectional reflectance distribution function model.

PubMed

Prokhorov, Alexander

2012-05-01

This paper proposes a three-component bidirectional reflectance distribution function (3C BRDF) model consisting of diffuse, quasi-specular, and glossy components for calculation of effective emissivities of blackbody cavities and then investigates the properties of the new reflection model. The particle swarm optimization method is applied for fitting a 3C BRDF model to measured BRDFs. The model is incorporated into the Monte Carlo ray-tracing algorithm for isothermal cavities. Finally, the paper compares the results obtained using the 3C model and the conventional specular-diffuse model of reflection.

Retrieval of optical properties of skin from measurement and modeling the diffuse reflectance

NASA Astrophysics Data System (ADS)

Douven, Lucien F. A.; Lucassen, Gerald W.

2000-06-01

We present results on the retrieval of skin optical properties obtained by fitting of measurements of the diffuse reflectance of human skin. Reflectance spectra are simulated using an analytical model based on the diffusion approximation. This model is implemented in a simplex fit routine. The skin optical model used consists of five layers representing epidermis, capillary blood plexus, dermis, deep blood plexus and hypodermis. The optical properties of each layer are assumed homogeneously distributed. The main optical absorbers included are melanin in epidermis and blood. The experimental setup consists of a HP photospectrometer equipped with a remote fiber head. Total reflectance spectra were measured in the 400 - 820 nm wavelength range on the volar underarm of 19 volunteers under various conditions influencing the blood content and oxygenation degree. Changes in the reflectance spectra were observed. Using the fit routine changes in blood content in the capillary blood plexus and in the deep blood plexus could be quantified. These showed different influences on the total reflectance. The method can be helpful to quantitatively assess changes in skin color appearance such as occurs in the treatment of port wine stains, blanching, skin irritation and tanning.

Thermal Annealing Effect on Optical Properties of Binary TiO₂-SiO₂ Sol-Gel Coatings.

PubMed

Wang, Xiaodong; Wu, Guangming; Zhou, Bin; Shen, Jun

2012-12-24

TiO₂-SiO₂ binary coatings were deposited by a sol-gel dip-coating method using tetrabutyl titanate and tetraethyl orthosilicate as precursors. The structure and chemical composition of the coatings annealed at different temperatures were analyzed by Raman spectroscopy and Fourier Transform Infrared (FTIR) spectroscopy. The refractive indices of the coatings were calculated from the measured transmittance and reflectance spectra. An increase in refractive index with the high temperature thermal annealing process was observed. The Raman and FTIR results indicate that the refractive index variation is due to changes in the removal of the organic component, phase separation and the crystal structure of the binary coatings.

An FTIR point sensor for identifying chemical WMD and hazardous materials

NASA Astrophysics Data System (ADS)

Norman, Mark L.; Gagnon, Aaron M.; Reffner, John A.; Schiering, David W.; Allen, Jeffrey D.

2004-03-01

A new point sensor for identifying chemical weapons of mass destruction and other hazardous materials based on Fourier transform infrared (FT-IR) spectroscopy is presented. The sensor is a portable, fully functional FT-IR system that features a miniaturized Michelson interferometer, an integrated diamond attenuated total reflection (ATR) sample interface, and an embedded on-board computer. Samples are identified by an automated search algorithm that compares their infrared spectra to digitized databases that include reference spectra of nerve and blister agents, toxic industrial chemicals, and other hazardous materials. The hardware and software are designed for use by technicians with no background in infrared spectroscopy. The unit, which is fully self-contained, can be hand-carried and used in a hot zone by personnel in Level A protective gear, and subsequently decontaminated by spraying or immersion. Wireless control by a remote computer is also possible. Details of the system design and performance, including results of field validation tests, are discussed.

An empirical evaluation of three vibrational spectroscopic methods for detection of aflatoxins in maize.

PubMed

Lee, Kyung-Min; Davis, Jessica; Herrman, Timothy J; Murray, Seth C; Deng, Youjun

2015-04-15

Three commercially available vibrational spectroscopic techniques, including Raman, Fourier transform near infrared reflectance (FT-NIR), and Fourier transform infrared (FTIR) were evaluated to help users determine the spectroscopic method best suitable for aflatoxin analysis in maize (Zea mays L.) grain based on their relative efficiency and predictive ability. Spectral differences of Raman and FTIR spectra were more marked and pronounced among aflatoxin contamination groups than those of FT-NIR spectra. From the observations and findings in our current and previous studies, Raman and FTIR spectroscopic methods are superior to FT-NIR method in terms of predictive power and model performance for aflatoxin analysis and they are equally effective and accurate in predicting aflatoxin concentration in maize. The present study is considered as the first attempt to assess how spectroscopic techniques with different physical processes can influence and improve accuracy and reliability for rapid screening of aflatoxin contaminated maize samples. Copyright © 2014 Elsevier Ltd. All rights reserved.

Application of FTIR-ATR spectroscopy to the quantification of sugar in honey.

PubMed

Anjos, Ofélia; Campos, Maria Graça; Ruiz, Pablo Contreras; Antunes, Paulo

2015-02-15

A Fourier transform infrared spectroscopic method with attenuated total reflectance (FTIR-ATR) and partial least squares (PLS) regression model for the prediction of sugar content in honey samples was calculated. Standards of trehalose, glucose, fructose, sucrose, melezitose, turanose and maltose were used to identify and quantify the individual sugar components in 63 honey samples by HPAEC-IPAD. Fructose and glucose are the highest sugars in honey with an average value of 36% and 26%, respectively. The 1stDer spectra with MSC or SLS in the wave number range from 1500 to 750cm(-1) provide the best calibration model with a r(2) of 86.60 and 86.01 with RPD of 2.6 and 2.55, respectively for fructose and glucose. For turanose and melezitose good models were also found. The FTIR-ATR showed to be a good methodology to quantify the main sugar content in honey and easily adapted to routine analysis. Copyright © 2014 Elsevier Ltd. All rights reserved.

Monitoring of caffeine consumption effect on skin blood properties by diffuse reflectance spectroscopy

NASA Astrophysics Data System (ADS)

Milanic, Matija; Marin, Ana; Stergar, Jost; Verdel, Nina; Majaron, Boris

2017-07-01

Caffeine is the most widely consumed psychoactive substance in the world. It affects many tissues and organs, in particular central nervous system, heart, and blood vessels. The effect of caffeine on vascular smooth muscle cells is an initial transient contraction followed by significant vasodilatation. In this study we investigate the use of diffuse reflectance spectroscopy (DRS) for monitoring of vascular changes in human skin induced by caffeine consumption. DRS spectra were recorded on volar sides of the forearms of ten healthy volunteers at time delays of 0, 30, 60, 120, and 180 minutes after consumption of caffeine, while one subject served as a negative control. Analytical diffusion approximation solutions for diffuse reflectance from three-layer structures were used to assess skin composition (e.g., dermal blood volume fraction and oxygen saturation) by fitting to experimental data. The results demonstrate that cutaneous vasodynamics induced by caffeine consumption can be monitored by DRS, while changes in the control subject not consuming caffeine were insignificant.

Method for Calculating the Optical Diffuse Reflection Coefficient for the Ocular Fundus

NASA Astrophysics Data System (ADS)

Lisenko, S. A.; Kugeiko, M. M.

2016-07-01

We have developed a method for calculating the optical diffuse reflection coefficient for the ocular fundus, taking into account multiple scattering of light in its layers (retina, epithelium, choroid) and multiple refl ection of light between layers. The method is based on the formulas for optical "combination" of the layers of the medium, in which the optical parameters of the layers (absorption and scattering coefficients) are replaced by some effective values, different for cases of directional and diffuse illumination of the layer. Coefficients relating the effective optical parameters of the layers and the actual values were established based on the results of a Monte Carlo numerical simulation of radiation transport in the medium. We estimate the uncertainties in retrieval of the structural and morphological parameters for the fundus from its diffuse reflectance spectrum using our method. We show that the simulated spectra correspond to the experimental data and that the estimates of the fundus parameters obtained as a result of solving the inverse problem are reasonable.

Characterization of LANDSAT Panels Using the NIST BRDF Scale from 1100 nm to 2500 nm

NASA Technical Reports Server (NTRS)

Markham, Brian; Tsai, Benjamin K.; Allen, David W.; Cooksey, Catherine; Yoon, Howard; Hanssen, Leonard; Zeng, Jinan; Fulton, Linda; Biggar, Stuart; Markham, Brian

2010-01-01

Many earth observing sensors depend on white diffuse reflectance standards to derive scales of radiance traceable to the St Despite the large number of Earth observing sensors that operate in the reflective solar region of the spectrum, there has been no direct method to provide NIST traceable BRDF measurements out to 2500 rim. Recent developments in detector technology have allowed the NIST reflectance measurement facility to expand the operating range to cover the 250 nm to 2500 nm range. The facility has been modified with and additional detector using a cooled extended range indium gallium arsenide (Extended InGaAs) detector. Measurements were made for two PTFE white diffuse reflectance standards over the 1100 nm to 2500 nm region at a 0' incident and 45' observation angle. These two panels will be used to support the OLI calibration activities. An independent means of verification was established using a NIST radiance transfer facility based on spectral irradiance, radiance standards and a diffuse reflectance plaque. An analysis on the results and associated uncertainties will be discussed.

[Comparative study of reflectance spectroscopy of women's acupoints around menstruation].

PubMed

Jiang, Xing-Hui; Liu, Han-Ping; Guo, Zhou-Yi; Meng, Yao-Yong; Zeng, Chang-Chun; Liu, Song-Hao

2010-12-01

Acupoint was reaction of viscera and its optical parameter was an important characteristic of tissue. In the present work, in order to discuss specificity of acupuncture on the response of qi and blood in human body, we compared the diffuse reflectance of Taichong (LV3), Taibai (SP3), and Chongyang (ST42) before, during and after menstruation. All the acupoints had the same shape of the spectrum and troughs were all at 423.16, 544.06 and 577.47 nm. The values of reflectance during menstruation were greater than before and after menstruation, especially for SP3 and ST42 (P < 0.05). SP3 and ST42 were more sensitive to the changes of qi and blood than LV3, and it was asymmetric and we found no evidence for the imbalance of the left side and right. These results indicated that acupoint diffuse reflectance changed with qi and blood, and that SP3 and ST42 had close relationship with menstruation. Diffuse reflectance may be possibly used in the quantitative analysis of qi and blood.

Photothermal Radiometry and Diffuse Reflectance Analysis of Thermally Treated Bones

NASA Astrophysics Data System (ADS)

Trujillo, S.; Martínez-Torres, P.; Quintana, P.; Alvarado-Gil, Juan Jose

2010-05-01

Different fields such as archaeology, biomedicine, forensic science, and pathology involve the analysis of burned bones. In this work, the effects of successive thermal treatments on pig long bones, measured by photothermal radiometry and diffuse reflectance are reported. Measurements were complemented by X-ray diffraction and infrared spectroscopy. Samples were thermally treated for 1 h within the range of 25 °C to 350 °C. The thermal diffusivity and reflectance increase in the low-temperature range, reaching a maximum around 125 °C and decaying at higher temperatures. These results are the consequence of complex modifications occurring in the inorganic and organic bone structure. For lower temperatures dehydration, dehydroxilation, and carbonate loss processes are dominant, followed by collagen denaturing and decompositions, which have an influence on the bone microstructure.

Spectral Mining for Discriminating Blood Origins in the Presence of Substrate Interference via Attenuated Total Reflection Fourier Transform Infrared Spectroscopy: Postmortem or Antemortem Blood?

PubMed

Takamura, Ayari; Watanabe, Ken; Akutsu, Tomoko; Ikegaya, Hiroshi; Ozawa, Takeaki

2017-09-19

Often in criminal investigations, discrimination of types of body fluid evidence is crucially important to ascertain how a crime was committed. Compared to current methods using biochemical techniques, vibrational spectroscopic approaches can provide versatile applicability to identify various body fluid types without sample invasion. However, their applicability is limited to pure body fluid samples because important signals from body fluids incorporated in a substrate are affected strongly by interference from substrate signals. Herein, we describe a novel approach to recover body fluid signals that are embedded in strong substrate interferences using attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy and an innovative multivariate spectral processing. This technique supported detection of covert features of body fluid signals, and then identified origins of body fluid stains on substrates. We discriminated between ATR FT-IR spectra of postmortem blood (PB) and those of antemortem blood (AB) by creating a multivariate statistics model. From ATR FT-IR spectra of PB and AB stains on interfering substrates (polyester, cotton, and denim), blood-originated signals were extracted by a weighted linear regression approach we developed originally using principal components of both blood and substrate spectra. The blood-originated signals were finally classified by the discriminant model, demonstrating high discriminant accuracy. The present method can identify body fluid evidence independently of the substrate type, which is expected to promote the application of vibrational spectroscopic techniques in forensic body fluid analysis.

Comparison of Fiber Optic and Conduit Attenuated Total Reflection (ATR) Fourier Transform Infrared (FT-IR) Setup for In-Line Fermentation Monitoring.

PubMed

Koch, Cosima; Posch, Andreas E; Herwig, Christoph; Lendl, Bernhard

2016-12-01

The performance of a fiber optic and an optical conduit in-line attenuated total reflection mid-infrared (IR) probe during in situ monitoring of Penicillium chrysogenum fermentation were compared. The fiber optic probe was connected to a sealed, portable, Fourier transform infrared (FT-IR) process spectrometer via a plug-and-play interface. The optical conduit, on the other hand, was connected to a FT-IR process spectrometer via a knuckled probe with mirrors that had to be adjusted prior to each fermentation, which were purged with dry air. Penicillin V (PenV) and its precursor phenoxyacetic acid (POX) concentrations were determined by online high-performance liquid chromatography and the obtained concentrations were used as reference to build partial least squares regression models. Cross-validated root-mean-square errors of prediction were found to be 0.2 g L -1 (POX) and 0.19 g L -1 (PenV) for the fiber optic setup and 0.17 g L -1 (both POX and PenV) for the conduit setup. Higher noise-levels and spectrum-to-spectrum variations of the fiber optic setup lead to higher noise of estimated (i.e., unknown) POX and PenV concentrations than was found for the conduit setup. It seems that trade-off has to be made between ease of handling (fiber optic setup) and measurement accuracy (optical conduit setup) when choosing one of these systems for bioprocess monitoring. © The Author(s) 2016.

An Experimental Characterization System for Deep Ultra-Violet (UV) Photoresists

NASA Astrophysics Data System (ADS)

Drako, Dean M.; Partlo, William N.; Oldham, William G.; Neureuther, Andrew R.

1989-08-01

A versatile system designed specifically for experimental automated photoresist characterization has been constructed utilizing an excimer laser source for exposure at 248nm. The system was assembled, as much as possible, from commercially available components in order to facilitate its replication. The software and hardware are completely documented in a University of California-Berkeley Engineering Research Lab Memo. An IBM PC-AT compatible computer controls an excimer laser, operates a Fourier Transform Infrared (FTIR) Spectrometer, measures and records the energy of each laser pulse (incident, reflected, and transmitted), opens and closes shutters, and operates two linear stages for sample movement. All operations (except FTIR data reduction) are managed by a control program written in the "C" language. The system is capable of measuring total exposure dose, performing bleaching measurements, creating and recording exposure pulse sequences, and generating exposure patterns suitable for multiple channel monitoring of the development. The total exposure energy, energy per pulse, and pulse rate are selectable over a wide range. The system contains an in-situ Fourier Transform Infrared Spectrometer for qualitative and quantitative analysis of the photoresist baking and exposure processes (baking is not done in-situ). FIIR may be performed in transmission or reflection. The FTIR data will form the basis of comprehensive multi-state resist models. The system's versatility facilitates the development of new automated and repeatable experiments. Simple controlling software, utilizing the provided interface sub-routines, can be written to control new experiments and collect data.

Modelling mercury accumulation in minerogenic peat combining FTIR-ATR spectroscopy and partial least squares (PLS)

NASA Astrophysics Data System (ADS)

Pérez-Rodríguez, Marta; Horák-Terra, Ingrid; Rodríguez-Lado, Luis; Martínez Cortizas, Antonio

2016-11-01

Despite its potential, infrared spectroscopy combined with multivariate statistics has been seldom used to model peat properties with environmental value, such us the concentration of potentially toxic metals. In this research, we applied attenuated total reflectance (ATR) Fourier-Transform Infrared (FTIR) spectroscopy to evaluate the ability of the technique to predict mercury concentrations in late-Pleistocene/Holocene peat from a minerogenic peatland from Minas Gerais (Brazil). Mercury concentrations were analysed using a Milestone DMA-80 analyzer and attenuated total reflectance FTIR-ATR was performed using a Gladi-ATR (Pike Technologies) in the mid IR spectrum (4000-400 cm- 1). Concentrations were modelled using principal components (PCR) and partial least squares regression (PLS). The performance of the models varied between moderate and very good (R2 0.67-0.90), with low RMSD values (0.35-1.06). A PLS model based on three latent vectors (LV1 to LV3) provided the best (R2 0.90, RMSD 0.35) results. LV1 reflected total organic matter content versus mineral matter (mainly quartz from local fluxes), LV2 was related to dust deposition from regional sources, and LV3 reflected peat organic matter decomposition. Compared to a previous investigation based on geochemical data, the spectroscopy-based PLS model performed better, but it has to be complemented with additional data (as δ13 C ratios) to reliably reproduce the changes of the factors controlling mercury accumulation over time. This, time- and cost-effective, methodology may help to develop multi-core approaches to study the within and between mire (of a similar type and area) variability in mercury accumulation, and probably also other peat properties. Fig. S2 Loadings weights of the three and two significant components from the direct (dPCR) and transposed (trPCR) PCR models. Fig. S3 Depth records of the cumulative effects of the factors involved in the variation of mercury concentrations. Left, MIR-PLS model; centre, MIR-PLS + δ13 C data model; right, geochemical model from Pérez-Rodríguez et al. [44].

Light polarization measurements - A method to determine the specular and diffuse light-scattering properties of both leaves and plant canopies

NASA Technical Reports Server (NTRS)

Vanderbilt, V. C.; Grant, L.

1984-01-01

The contributions of diffuse and specular reflection to the total canopy reflection of sunlight are determined experimentally for wheat at two stages of development using spectroradiometer measurements obtained at 13 wavelengths in the 480-720-nm range with a polarizing film in maximum and minimum signal-amplitude positions. The data and computation techniques are presented in tables, diagrams, and graphs, and the need to take specular reflection into account in constructing models of light/canopy interaction is stressed.

Ultraviolet stability and contamination analysis of Spectralon diffuse reflectance material

NASA Technical Reports Server (NTRS)

Stiegman, Albert E.; Bruegge, Carol J.; Springsteen, Arthur W.

1993-01-01

A detailed chemical analysis was carried out on Spectralon, a highly Lambertian, diffuse reflectance material. Results of this investigation unambiguously identified the presence of an organic (hydrocarbon) impurity intrinsic to the commercial material. This impurity could be removed by a vacuum bake-out procedure and was identified as the cause of optical changes (degradation) that occur in the material when exposed to UV light. It was found that when this impurity was removed, the Spectralon material was photochemically stable and maintained its reflectance properties even after extensive solar UV exposure.

An efficient adsorption of indigo carmine dye from aqueous solution on mesoporous Mg/Fe layered double hydroxide nanoparticles prepared by controlled sol-gel route.

PubMed

Ahmed, M A; Brick, A A; Mohamed, A A

2017-05-01

A new approach for removal of indigo carmine blue (IC) dye which is extensively used in jeans manufacture was successfully performed on novel mesoporous [LDH] nanoparticles prepared by sol-gel route using CTAB as shape and pore directing agent. The physicochemical features were monitored by X-ray diffraction (XRD), Fourier transformer infra-red (FTIR), N 2 adsorption-desorption isotherm, Field emission electron microscope (FESEM) and high resolution transmission electron microscope (HRTEM). The influence of reaction parameters affecting dye adsorption including contact time, initial dye concentration, pH and temperature were investigated. Textural analysis and HRTEM images indicate the existence of mesoporous spherical nanoparticles of size = 26 nm connected to each other's and embedded large numbers of mesopores of average pore radius = 43.5 Å. A successful adsorption of IC on LDH nanoparticles of surface area = 85.6 m 2 /g at various pH with maximum adsorption capacity = 62.8 mg/g at pH = 9.5. Langmuir model is more favorable to describe the adsorption of IC rather than Freundlich model which reflecting the preferential formation of monolayer on the surface of LDH. Both film diffusion and the intraparticle diffusion affect the dye adsorption. The values of enthalpy change (ΔH) for and (ΔS) are + 28.18 and + 0.118 kJ/mol, respectively indicating that the removal process is endothermic. The results indicated that LDH nanoparticles conserved a good activity even after five consecutive cycles of reuse. Our results suggest that mesoporous LDH nanoparticles are considered a potential novel adsorbent for remediation of wastewater containing IC. Copyright © 2017 Elsevier Ltd. All rights reserved.

Synthesis and characterization of pharmaceutical surfactant templated mesoporous silica: Its application to controlled delivery of duloxetine

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

Mani, Ganesh; Pushparaj, Hemalatha; Peng, Mei Mei

2014-03-01

Graphical abstract: - Highlights: • Usefulness of dual pharmaceutical surfactants in silica synthesis was evaluated. • Effects of concentration of secondary template (Tween-40) were studied. • Effects of fixed solvothermal condition on mesostructure formation were studied. • Duloxetine drug loading capability was studied. • Sustained release of duloxetine was evaluated. - Abstract: A new group of mesoporous silica nanoparticles (MSNs) were synthesized using combination pharmaceutical surfactants, Triton X-100 and Tween-40 as template and loaded with duloxetine hydrochloride (DX), for improving the sustained release of DX and patterns with high drug loading. Agglomerated spherical silica MSNs were synthesized by sol–gel andmore » solvothermal methods. The calcined and drug loaded MSNs were characterized using X-ray diffraction (XRD), Braunner–Emmett–Teller (BET), thermogravimetric analysis (TGA), Fourier-transform infrared (FT-IR) spectroscopy, scanning electron microscopy (SEM), differential scanning calorimetry (DSC), diffuse reflectance ultraviolet–visible (DRS-UV–vis) spectroscopy. MSNs with high surface area and pore volume were selected and studied for their DX loading and release. The selected MSNs can accommodate a maximum of 34% DX within it. About 90% was released at 200 h and hence, the synthesized MSNs were capable of engulfing DX and sustain its release. Further form the Ritger and Peppas, Higuchi model for mechanism drug release from all the MSN matrices follows anomalous transport or Non-Fickian diffusion with the ‘r’ and ‘n’ value 0.9 and 0.45 < n < 1, respectively. So, from this study it could be concluded that the MSNs synthesized using pharmaceutical templates were better choice of reservoir for the controlled delivery of drug which requires sustained release.« less

Radiative transfer simulations of the two-dimensional ocean glint reflectance and determination of the sea surface roughness.

PubMed

Lin, Zhenyi; Li, Wei; Gatebe, Charles; Poudyal, Rajesh; Stamnes, Knut

2016-02-20

An optimized discrete-ordinate radiative transfer model (DISORT3) with a pseudo-two-dimensional bidirectional reflectance distribution function (BRDF) is used to simulate and validate ocean glint reflectances at an infrared wavelength (1036 nm) by matching model results with a complete set of BRDF measurements obtained from the NASA cloud absorption radiometer (CAR) deployed on an aircraft. The surface roughness is then obtained through a retrieval algorithm and is used to extend the simulation into the visible spectral range where diffuse reflectance becomes important. In general, the simulated reflectances and surface roughness information are in good agreement with the measurements, and the diffuse reflectance in the visible, ignored in current glint algorithms, is shown to be important. The successful implementation of this new treatment of ocean glint reflectance and surface roughness in DISORT3 will help improve glint correction algorithms in current and future ocean color remote sensing applications.

Radiative Transfer Simulations of the Two-Dimensional Ocean Glint Reflectance and Determination of the Sea Surface Roughness

NASA Technical Reports Server (NTRS)

Lin, Zhenyi; Li, Wei; Gatebe, Charles; Poudyal, Rajesh; Stamnes, Knut

2016-01-01

An optimized discrete-ordinate radiative transfer model (DISORT3) with a pseudo-two-dimensional bidirectional reflectance distribution function (BRDF) is used to simulate and validate ocean glint reflectances at an infrared wavelength (1036 nm) by matching model results with a complete set of BRDF measurements obtained from the NASA cloud absorption radiometer (CAR) deployed on an aircraft. The surface roughness is then obtained through a retrieval algorithm and is used to extend the simulation into the visible spectral range where diffuse reflectance becomes important. In general, the simulated reflectances and surface roughness information are in good agreement with the measurements, and the diffuse reflectance in the visible, ignored in current glint algorithms, is shown to be important. The successful implementation of this new treatment of ocean glint reflectance and surface roughness in DISORT3 will help improve glint correction algorithms in current and future ocean color remote sensing applications.

Classification of road sign type using mobile stereo vision

NASA Astrophysics Data System (ADS)

McLoughlin, Simon D.; Deegan, Catherine; Fitzgerald, Conor; Markham, Charles

2005-06-01

This paper presents a portable mobile stereo vision system designed for the assessment of road signage and delineation (lines and reflective pavement markers or "cat's eyes"). This novel system allows both geometric and photometric measurements to be made on objects in a scene. Global Positioning System technology provides important location data for any measurements made. Using the system it has been shown that road signs can be classfied by nature of their reflectivity. This is achieved by examining the changes in the reflected light intensity with changes in range (facilitated by stereo vision). Signs assessed include those made from retro-reflective materials, those made from diffuse reflective materials and those made from diffuse reflective matrials with local illumination. Field-testing results demonstrate the systems ability to classify objects in the scene based on their reflective properties. The paper includes a discussion of a physical model that supports the experimental data.

Diffusion, sorption, and retardation processes of anions in bentonite and organo-bentonites for multibarrier systems

NASA Astrophysics Data System (ADS)

Schampera, Birgit; Dultz, Stefan

2013-04-01

The low permeability, high cation exchange capacity (CEC) and plasticity of bentonites favor their use in multibarrier systems of waste deposits [1]. Bentonites have a high CEC but their ability to sorb anions is very low. There is, however, need for retardation of anions and organic pollutants in many applications. Bentonites, modified with certain organic cations, have the capacity to sorb anions and non-polar organic compounds in addition to cations. Investigations on organically modified clays address a wide variety of applications including immobilization of pollutants in contaminated soils, waste water treatment and in situ placement for the protection of ground water [2]. Many experiments on anion and cation sorption of organo-clays were conducted in the batch mode which does not reflect solid-liquid ratios and material densities in barrier systems. Diffusion experiments on compacted clays allow the evaluation of transport processes and sorption of pollutants at conditions relevant for repositories. For organo-clays only few diffusion studies are published e.g. [3] measured the diffusion of tritium and [4] the diffusion of H2O in bentonite and organo-bentonites. The organic cation hexadecylpyridinium (HDPy) was added to Wyoming bentonite (MX-80) in amounts corresponding to 2-400 % of the CEC. The uptake of organic cations was determined by the C-content, XRD and IR-spectroscopy. Wettability was analyzed by the contact angle. Physical, chemical and mineralogical properties of clays were characterized. Diffusion experiments were carried out in situ in a cell attached to the ATR-unit of a FTIR-spectrometer. For H2O-diffusion the compacted organo-clays are saturated first with D2O, afterwards H2O is supplied to the surface at the top of the clay platelet. Anion-diffusion was conducted with NO3--solution instead of H2O only having characteristic IR band positions at 1350 cm-1. Three different concentrations (0.25M, 0.5M and 1M) were used. Additional batch experiments with NO3- will support the understanding of sorption behavior of the anions. All hydrophilic samples have a higher retardation capacity, indicated by diffusion coefficients of 2.44 x 10-11 m/s2 for original bentonite and ˜2.1 x 10-11m/s2 for hydrophilic organo-clays. For hydrophobic organo-clays the H2O diffusion can be higher and is increased at high bulk density (1-1.5 g/m3) up to 2.76 x 10-10m2/s. Experiments with NO3- at bulk density of 1.5 g/m3 reveal that the apparent diffusion coefficients of nitrate are with results up to 5.61 x 1012 m2/s distinctively lower than free diffusion of nitrate in pure water (6.46 x 1010 m2/s at experimental conditions) and nitrate diffusion in natural bentonite (2.63 x 1011 m2/s). The measurements allow the interpretation of the different sorption mechanisms, retardation capacity and diffusion behavior of the analyzed clays at different anion concentrations. Ongoing molecular dynamic simulations will contribute understanding of diffusion processes in organo-clays including the conditions at the interface of the clay minerals and in solution. References: [1] Shackelford, C.D., Moore S.M. (2013) Fickian diffusion of radionuclides for engineered containment barriers: Diffusion coefficients, porosities, and complicating issues. Engineering Geology, 152, 133-147. [2] Rytwo, G., Nir, S., Shuali, U. (2012) Clay and water treatment. Applied Clay Science, 67-68, 117-118. [3] Lorenzetti, R.L., Bartelt-Hunt, S.L., Burns, S.E., Smith, J.A. (2005) Hydraulic conductivities and effective diffusion coefficients of geosynthetic clay liners with organobentonite amendments. Geotextiles and Geomembranes, 23, 385-400. [4] Schampera, B., Dultz, S. (2011) H2O self-diffusion in compacted clays as influenced by surface charge and wettability - obstruction effects of bound H2O layers. Clay and Clay Minerals,59, 42-57.

Rapid investigation of α-glucosidase inhibitory activity of Phaleria macrocarpa extracts using FTIR-ATR based fingerprinting.

PubMed

Easmin, Sabina; Sarker, Md Zaidul Islam; Ghafoor, Kashif; Ferdosh, Sahena; Jaffri, Juliana; Ali, Md Eaqub; Mirhosseini, Hamed; Al-Juhaimi, Fahad Y; Perumal, Vikneswari; Khatib, Alfi

2017-04-01

Phaleria macrocarpa, known as "Mahkota Dewa", is a widely used medicinal plant in Malaysia. This study focused on the characterization of α-glucosidase inhibitory activity of P. macrocarpa extracts using Fourier transform infrared spectroscopy (FTIR)-based metabolomics. P. macrocarpa and its extracts contain thousands of compounds having synergistic effect. Generally, their variability exists, and there are many active components in meager amounts. Thus, the conventional measurement methods of a single component for the quality control are time consuming, laborious, expensive, and unreliable. It is of great interest to develop a rapid prediction method for herbal quality control to investigate the α-glucosidase inhibitory activity of P. macrocarpa by multicomponent analyses. In this study, a rapid and simple analytical method was developed using FTIR spectroscopy-based fingerprinting. A total of 36 extracts of different ethanol concentrations were prepared and tested on inhibitory potential and fingerprinted using FTIR spectroscopy, coupled with chemometrics of orthogonal partial least square (OPLS) at the 4000-400 cm -1 frequency region and resolution of 4 cm -1 . The OPLS model generated the highest regression coefficient with R 2 Y = 0.98 and Q 2 Y = 0.70, lowest root mean square error estimation = 17.17, and root mean square error of cross validation = 57.29. A five-component (1+4+0) predictive model was build up to correlate FTIR spectra with activity, and the responsible functional groups, such as -CH, -NH, -COOH, and -OH, were identified for the bioactivity. A successful multivariate model was constructed using FTIR-attenuated total reflection as a simple and rapid technique to predict the inhibitory activity. Copyright © 2016. Published by Elsevier B.V.

Multivariate analysis of ATR-FTIR spectra for assessment of oil shale organic geochemical properties

USGS Publications Warehouse

Washburn, Kathryn E.; Birdwell, Justin E.

2013-01-01

In this study, attenuated total reflectance (ATR) Fourier transform infrared spectroscopy (FTIR) was coupled with partial least squares regression (PLSR) analysis to relate spectral data to parameters from total organic carbon (TOC) analysis and programmed pyrolysis to assess the feasibility of developing predictive models to estimate important organic geochemical parameters. The advantage of ATR-FTIR over traditional analytical methods is that source rocks can be analyzed in the laboratory or field in seconds, facilitating more rapid and thorough screening than would be possible using other tools. ATR-FTIR spectra, TOC concentrations and Rock–Eval parameters were measured for a set of oil shales from deposits around the world and several pyrolyzed oil shale samples. PLSR models were developed to predict the measured geochemical parameters from infrared spectra. Application of the resulting models to a set of test spectra excluded from the training set generated accurate predictions of TOC and most Rock–Eval parameters. The critical region of the infrared spectrum for assessing S1, S2, Hydrogen Index and TOC consisted of aliphatic organic moieties (2800–3000 cm−1) and the models generated a better correlation with measured values of TOC and S2 than did integrated aliphatic peak areas. The results suggest that combining ATR-FTIR with PLSR is a reliable approach for estimating useful geochemical parameters of oil shales that is faster and requires less sample preparation than current screening methods.

Diffusely reflecting paints including polytetrafluoroethylene and method of manufacture

NASA Technical Reports Server (NTRS)

Schutt, J. B.; Shai, M. C. (Inventor)

1985-01-01

The invention pertains to a high diffuse, reflective paint comprising an alcohol soluble binder, polytetrafluoroethylene (TFE) and an alcohol for coating a substrate and forming an optical reference with a superior Lambertian characteristic. A method for making the paint by first mixing the biner and alcohol, and thereafter by mixing in outgassed TFE is described. A wetting agent may be employed to aid the mixing process.

Improvement of direct determination of trace nickel in environmental samples by diffuse reflection spectroscopy using chromaticity characteristics.

PubMed

Ershova, N I; Ivanov, V M

2000-05-01

Cellulose and chromaton-N-super as solid supports for direct determination of the immobilized nickel complexes with dimethylglyoxime and benzyldioxime by diffuse reflection spectroscopy were compared. The advantage of chromaton-N-super with use of benzyldioxime is shown. Detection limit is 0.02 microg/mL. The proposed method was applied for the analysis of soil.

Two years comparative studies on biological effects of environmental UV radiation

NASA Astrophysics Data System (ADS)

Grof, P.; Ronto, Gyorgyi; Gaspar, S.; Berces, A.; Szabo, Laszlo D.

1994-07-01

A method has been developed for determination of the biologically effective UV dose based on T7 phage as biosensor. In field experiments clockwork driven telescope has been used for determining doses from direct and global (direct plus diffuse) solar radiation. On fine summer days at mid-latitude this arrangement allowed the following comparisons: measured doses from direct and global radiation obtained at the same time and measuring site reflecting the biological importance of diffuse radiation; direct and global radiation obtained at the same time and measuring site reflecting the biological importance of diffuse radiation; direct and global doses obtained at the same time on different measuring sites (downtown, suburb, outside the town) reflecting the differences caused by air quality; direct and global doses obtained on the same measuring place, in summertime of two different years reflecting the importance of the long-term measurements for estimating the biological risk caused by increased UV-B radiation; measured data and model calculations.

Using MicroFTIR to Map Mineral Distributions in Serpentinizing Systems

NASA Astrophysics Data System (ADS)

Johnson, A.; Kubo, M. D.; Cardace, D.

2016-12-01

Serpentinization, the water-rock reaction forming serpentine mineral assemblages from ultramafic precursors, can co-occur with the production of hydrogen, methane, and diverse organic compounds (McCollom and Seewald, 2013), evolving water appropriate for carbonate precipitation, including in ophiolite groundwater flow systems and travertine-producing seeps/springs. Serpentinization is regarded as a geologic process important to the sustainability of the deep biosphere (Schrenk et al., 2013) and the origin of life (Schulte et al., 2006). In this study, we manually polished wafers of ultramafic rocks/associated minerals (serpentinite, peridotite, pyroxenite, dunite; olivine, diopside, serpentine, magnetite), and travertine/constituent minerals (carbonate crusts; calcite, dolomite), and observed mineral boundaries and interfaces using µFTIR analysis in reflection mode. We used a Thermo Nicolet iS50 FTIR spectrometer coupled with a Continuum IR microscope to map minerals/boundaries. We identify, confirm, and document FTIR wavenumber regions linked to serpentinite- and travertine-associated minerals by referencing IR spectra (RRUFF) and aligning with x-ray diffraction. The ultramafic and carbonate samples are from the following field localities: McLaughlin Natural Reserve - a UC research reserve, Lower Lake, CA; Zambales, PH; Ontario, CA; Yellow Dog, MI; Taskesti, TK; Twin Sisters Range, WA; Sharon, MA; Klamath Mountains, CA; Dun Mountain, NZ; and Sussex County, NJ. Our goals are to provide comprehensive µFTIR characterization of mineral profiles important in serpentinites and related rocks, and evaluate the resolving power of µFTIR for the detection of mineral-encapsulated, residual organic compounds from biological activity. We report on µFTIR data for naturally occurring ultramafics and travertines and also estimate the limit of detection for cell membrane components in mineral matrices, impregnating increasing mass proportions of xanthan gum in a peridotite sand derived from drilling at the Coast Range Ophiolite Microbial Observatory (CROMO, Cardace et al., 2013). Preservation and well resolved description of organic compounds in secondary minerals in ultramafic rocks may allow assessment of changing habitability of past microenvironments fueled by serpentinization.

[Research on Application of Fourier Transform Infrared Spectrometry in the Diagnosis of Lymph Node Metastasis in Gastric Cancer].

PubMed

Bai, Yue-kui; Yu, Li-wei; Zhang, Le; Fu, Jing; Leng, Hui; Yang, Xiao-jun; Ma, Jun-qiang; Li, Xiao-juan; Li, Xiu-juan; Zhu, Qing; Zhang, Yuan-fu; Ling, Xiao-feng; Cao, Wen-lan

2015-03-01

To explore the feasibility of quick intraoperative in situ and noninvasive diagnosis of lymph node metastasis in gastric cancer by Fourier transform infrared (FTIR) spectrometry. FTIR spectra of surgically removed fresh lymph nodes were measured by FTIR via probe of attenuated total reflection (ATR). For each spectrum, 13 bands were indentified and assigned between 3 000 and 1 000 cm(-1). Peaks in the spectra were measured and relative intensity ratios were calculated and compared between the spectra of Metastatic lymph nodes (MLN) and Non-metastatic lymph nodes (NMLN). Standard statistic analysis was performed. 720 lymph nodes were measured in 38 gastric cancer patients. Results show that there were significant differences between the FTIR of 540 MLN and 180 NMLN. (1) For the band related to nucleic acid: The ratios of I1240/I1460 (p = 0.015) and I1080/I1460 (p = 0.034) increased in MLN, which shows that the relative quantity of nucleic acid was more in MLN than that in NMLN. (2) For the bands related to protein: The ratios of I1640 /I1460 (p = 0.001) and I146/I1460 (p = 0.027) increased in MLN, which shows that the relative quantity of protein was more in MLN. (3) For the bands related to lipid: The ratio of I2855/I460 and I1740/I1460 decreased in MLN FTIR spectrum, indicating the lower relative quantity of lipid in MLN. (4) For the bands related to carbohydrate: The ratio of I1160/I1460 (p = 0.023) decreased in MLN FTIR spectrum, indicating the lower relative quantity of carbohydrate in MLN. The results demonstrate that the FTIR spectroscopy technique maybe develop into a promising method for in situ and quick intraoperative differential diagnosis of lymph node metastasis in gastric cancer.

Enhancing forensic science with spectroscopic imaging

NASA Astrophysics Data System (ADS)

Ricci, Camilla; Kazarian, Sergei G.

2006-09-01

This presentation outlines the research we are developing in the area of Fourier Transform Infrared (FTIR) spectroscopic imaging with the focus on materials of forensic interest. FTIR spectroscopic imaging has recently emerged as a powerful tool for characterisation of heterogeneous materials. FTIR imaging relies on the ability of the military-developed infrared array detector to simultaneously measure spectra from thousands of different locations in a sample. Recently developed application of FTIR imaging using an ATR (Attenuated Total Reflection) mode has demonstrated the ability of this method to achieve spatial resolution beyond the diffraction limit of infrared light in air. Chemical visualisation with enhanced spatial resolution in micro-ATR mode broadens the range of materials studied with FTIR imaging with applications to pharmaceutical formulations or biological samples. Macro-ATR imaging has also been developed for chemical imaging analysis of large surface area samples and was applied to analyse the surface of human skin (e.g. finger), counterfeit tablets, textile materials (clothing), etc. This approach demonstrated the ability of this imaging method to detect trace materials attached to the surface of the skin. This may also prove as a valuable tool in detection of traces of explosives left or trapped on the surfaces of different materials. This FTIR imaging method is substantially superior to many of the other imaging methods due to inherent chemical specificity of infrared spectroscopy and fast acquisition times of this technique. Our preliminary data demonstrated that this methodology will provide the means to non-destructive detection method that could relate evidence to its source. This will be important in a wider crime prevention programme. In summary, intrinsic chemical specificity and enhanced visualising capability of FTIR spectroscopic imaging open a window of opportunities for counter-terrorism and crime-fighting, with applications ranging from analysis of trace evidence (e.g. in soil), tablets, drugs, fibres, tape explosives, biological samples to detection of gunshot residues and imaging of fingerprints.

Infrared and colorimetric characterization of discolored kiln-dried hard maple lumber

Treesearch

Benjamin E. Dawson-Andoh; Michael Wiemann; Laurent Matuana; John Baumgras

2004-01-01

Discoloration of hard maple lumber commonly occurs during kiln-drying. In this study, discolored andnondiscolored kiln-dried hard maple lumber boards were characterized using a colorimetric method and Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR). Colorimetric measurements (L*, a*, b*) were found to be in good agreement with visual...

Use of ATR FT-IR spectroscopy in non-destructive and rapid assessment of developmental cotton fibers

USDA-ARS?s Scientific Manuscript database

The knowledge of chemical and compositional components in cotton fibers is of value to cotton breeders and growers for cotton enhancement and to textile processors for quality control. In this work, we applied the previously proposed simple algorithms to analyze the attenuated total reflection Fouri...

Infrared spectral properties of germ, pericarp, and endosperm sections of sound wheat kernels and those damaged by Fusarium graminearum

USDA-ARS?s Scientific Manuscript database

Mid-infrared attenuated total reflectance (MIR-ATR) spectra (4000-380 cm-1) of pericarp, germ, and endosperm sections from sound and Fusarium-damaged wheat kernels of cultivars Everest and Tomahawk were collected using a Fourier Transform Infrared (FTIR) spectrometer. The differences in infrared abs...

Polarimetric phenomenology in the reflective regime: a case study using polarized hyperspectral data

NASA Astrophysics Data System (ADS)

Gibney, Mark

2016-05-01

Understanding the phenomenology of polarimetric data is necessary if we want to obtain the maximum benefit when we exploit that data. To first order, polarimetric phenomenology is driven by two things; the target material type (specular or diffuse) and the illuminating source (point (sun) or extended (body emission)). Polarimetric phenomenology can then be broken into three basic categories; ([specular material/sun source], [diffuse/sun], [specular/body]) where we have assigned body emission to the IR passband where materials are generally specular. The task of interest determines the category of interest since the task determines the dominant target material and the illuminating source (eg detecting diffuse targets under trees in VNIR = [diffuse/sun] category). In this paper, a specific case study for the important [diffuse/sun] category will be presented. For the reflective regime (0.3 - 3.0um), the largest polarimetric signal is obtained when the sun illuminates a significant portion of the material BRDF lobe. This naturally points us to problems whose primary target materials are diffuse since the BRDF lobe for specular materials is tiny (low probability of acquiring on the BRDF lobe) and glinty (high probability of saturating the sensor when on lobe). In this case study, we investigated signatures of solar illuminated diffuse paints acquired by a polarimetric hyperspectral sensor. We will discuss the acquisition, reduction and exploitation of that data, and use it to illustrate the primary characteristics of reflective polarimetric phenomenology.

Preliminary results of BTDF calibration of transmissive solar diffusers for remote sensing

NASA Astrophysics Data System (ADS)

Georgiev, Georgi T.; Butler, James J.; Thome, Kurt; Cooksey, Catherine; Ding, Leibo

2016-09-01

Satellite instruments operating in the reflected solar wavelength region require accurate and precise determination of the optical properties of their diffusers used in pre-flight and post-flight calibrations. The majority of recent and current space instruments use reflective diffusers. As a result, numerous Bidirectional Reflectance Distribution Function (BRDF) calibration comparisons have been conducted between the National Institute of Standards and Technology (NIST) and other industry and university-based metrology laboratories. However, based on literature searches and communications with NIST and other laboratories, no Bidirectional Transmittance Distribution Function (BTDF) measurement comparisons have been conducted between National Measurement Laboratories (NMLs) and other metrology laboratories. On the other hand, there is a growing interest in the use of transmissive diffusers in the calibration of satellite, air-borne, and ground-based remote sensing instruments. Current remote sensing instruments employing transmissive diffusers include the Ozone Mapping and Profiler Suite instrument (OMPS) Limb instrument on the Suomi-National Polar-orbiting Partnership (S-NPP) platform,, the Geostationary Ocean Color Imager (GOCI) on the Korea Aerospace Research Institute's (KARI) Communication, Ocean, and Meteorological Satellite (COMS), the Ozone Monitoring Instrument (OMI) on NASA's Earth Observing System (EOS) Aura platform, the Tropospheric Emissions: Monitoring of Pollution (TEMPO) instrument and the Geostationary Environmental Monitoring Spectrometer (GEMS).. This ensemble of instruments requires validated BTDF measurements of their onboard transmissive diffusers from the ultraviolet through the near infrared. This paper presents the preliminary results of a BTDF comparison between the NASA Diffuser Calibration Laboratory (DCL) and NIST on quartz and thin Spectralon samples.

Discovery of the linear region of Near Infrared Diffuse Reflectance spectra using the Kubelka-Munk theory

NASA Astrophysics Data System (ADS)

Dai, Shengyun; Pan, Xiaoning; Ma, Lijuan; Huang, Xingguo; Du, Chenzhao; Qiao, Yanjiang; Wu, Zhisheng

2018-05-01

Particle size is of great importance for the quantitative model of the NIR diffuse reflectance. In this paper, the effect of sample particle size on the measurement of harpagoside in Radix Scrophulariae powder by near infrared diffuse (NIR) reflectance spectroscopy was explored. High-performance liquid chromatography (HPLC) was employed as a reference method to construct the quantitative particle size model. Several spectral preprocessing methods were compared, and particle size models obtained by different preprocessing methods for establishing the partial least-squares (PLS) models of harpagoside. Data showed that the particle size distribution of 125-150 μm for Radix Scrophulariae exhibited the best prediction ability with R2pre=0.9513, RMSEP=0.1029 mg·g-1, and RPD = 4.78. For the hybrid granularity calibration model, the particle size distribution of 90-180 μm exhibited the best prediction ability with R2pre=0.8919, RMSEP=0.1632 mg·g-1, and RPD = 3.09. Furthermore, the Kubelka-Munk theory was used to relate the absorption coefficient k (concentration-dependent) and scatter coefficient s (particle size-dependent). The scatter coefficient s was calculated based on the Kubelka-Munk theory to study the changes of s after being mathematically preprocessed. A linear relationship was observed between k/s and absorption A within a certain range and the value for k/s was greater than 4. According to this relationship, the model was more accurately constructed with the particle size distribution of 90-180 μm when s was kept constant or in a small linear region. This region provided a good reference for the linear modeling of diffuse reflectance spectroscopy. To establish a diffuse reflectance NIR model, further accurate assessment should be obtained in advance for a precise linear model.

Quick detection and quantification of iron-cyanide complexes using fourier transform infrared spectroscopy.

PubMed

Sut-Lohmann, Magdalena; Raab, Thomas

2017-08-01

The continuous release of persistent iron-cyanide (Fe-CN) complexes from various industrial sources poses a high hazard to the environment and indicates the necessity to analyze a considerable amount of samples. Conventional flow injection analysis (FIA) is a time and cost consuming method for cyanide (CN) determination. Thus, a rapid and economic alternative needs to be developed to quantify the Fe-CN complexes. 52 soil samples were collected at a former Manufactured Gas Plant (MGP) site in order to determine the feasibility of diffuse reflectance infrared Fourier spectroscopy (DRIFTS). Soil analysis revealed CN concentrations in a range from 8 to 14.809 mg kg -1 , where 97% was in the solid form (Fe 4 [Fe(CN) 6 ] 3 ), which is characterized by a single symmetrical CN band in the range 2092-2084 cm -1 . The partial least squares (PLS) calibration-validation model revealed IR response to CN tot which exceeds 2306 mg kg -1 (limit of detection, LOD). Leave-one-out cross-validation (LOO-CV) was performed on soil samples, which contained low CN tot (<900 mg kg -1 ). This improved the sensitivity of the model by reducing the LOD to 154 mg kg -1 . Finally, the LOO-CV conducted on the samples with CN tot  > 900 mg kg -1 resulted in LOD equal to 3751 mg kg -1 . It was found that FTIR spectroscopy provides the information concerning different CN species in the soil samples. Additionally, it is suitable for quantifying Fe-CN species in matrixes with CN tot  > 154 mg kg -1 . Thus, FTIR spectroscopy, in combination with the statistical approach applied here seems to be a feasible and quick method for screening of contaminated sites. Copyright © 2017 Elsevier Ltd. All rights reserved.

Sol-Gel Synthesis of Fe-Doped TiO2 Nanocrystals

NASA Astrophysics Data System (ADS)

Marami, Mohammad Bagher; Farahmandjou, Majid; Khoshnevisan, Bahram

2018-03-01

Fe-doped TiO2 powders were synthesized by the sol-gel method using titanium (IV) isopropoxide (TTIP) as the starting material, ethanol as solvent, and ethylene glycol (EG) as stabilizer. These prepared samples were characterized by x-ray diffractometer (XRD), field emission scanning electron microscope (FESEM), Fourier-transform infrared (FTIR) spectroscopy, diffuse reflection spectroscopy (DRS), energy-dispersive x-ray spectroscopy (EDX), and photoluminescence (PL) analyses to study their structure, morphology, and optical properties. The particle size of Fe-doped TiO2 was in the range of 18-39 nm and the minimum crystallite size was achieved for 4 mol.% of Fe. The XRD result of the samples that were doped with Fe showed a tetragonal structure. It also revealed the coexistence of the anatase and rutile phases, and showed that their ratio changed with various molar concentrations of Fe dopant. FTIR spectroscopy showed the presence of the Ti-O vibration band in the samples. PL analysis revealed the PL property in the UV region. Visible irradiation and the intensity of PL spectra were both reduced by doping TiO2 with 3 mol.% of Fe as compared to the pure variety. The spectra from the DRS showed a red shift and a reduction of 2.6 eV in the band gap energy for 4 mol.% Fe-doped TiO2. The optimum level of impurity (4 mol.%) for Fe-doped TiO2 nanoparticles (NPs), which improve the optical and electrical properties by using new precursors and can be used in solar cells and electronic devices, was determined. The novelty of this work consists of: the Fe/TiO2 NPs are synthesized by new precursors from sol-gel synthesis of iron and TTIP using acetic acid-catalyzed solvolysis (original idea) and the optical properties optimized with a mixture of phases (anatase/rutile) of Fe-doped TiO2 by this facile method.

Investigation of polypyrrole/polyvinyl alcohol-titanium dioxide composite films for photo-catalytic applications

NASA Astrophysics Data System (ADS)

Cao, Shaoqiang; Zhang, Hongyang; Song, Yuanqing; Zhang, Jianling; Yang, Haigang; Jiang, Long; Dan, Yi

2015-07-01

Polypyrrole/polyvinyl alcohol-titanium dioxide (PPy/PVA-TiO2) composite films used as photo-catalysts were fabricated by combining TiO2 sol with PPy/PVA solution in which PPy was synthesized by in situ polymerization of pyrrole (Py) in polyvinyl alcohol (PVA) matrix and loaded on glass. The prepared photo-catalysts were investigated by X-ray diffraction (XRD), ultraviolet-visible diffuse reflection spectroscopy (UV-vis DRS), scanning electron microscopy (SEM), Fourier transform infrared (FT-IR) spectra and photoluminescence (PL). The results indicate that the composites have same crystal structure as the TiO2 and extend the optic absorption from UV region to visible light region. By detecting the variation ratio, detected by ultraviolet-vis spectroscopy, of model pollutant rhodamine B (RhB) solution in the presence of the composite films under both UV and visible light irradiation, the photo-catalytic performance of the composite films was investigated. The results show that the PPy/PVA-TiO2 composite films show better photo-catalytic properties than TiO2 film both under UV and visible light irradiation, and the photo-catalytic degradation of RhB follows the first-order kinetics. The effects of the composition of composite films and the concentration of RhB on the photo-catalytic performance, as well as the possible photo-catalytic mechanism, were also discussed. By photo-catalytic recycle experiments, the structure stability of the PPy/PVA-TiO2 composite film was investigated and the results show that the photo-catalytic activity under both UV and visible light irradiation have no significant decrease after four times of recycle experiments, suggesting that the photo-catalyst film is stable during the photo-catalytic process, which was also confirmed by the XRD pattern and FT-IR spectra of the composite film before and after photo-catalytic.

Down-top nanofabrication of binary (CdO)x (ZnO)1-x nanoparticles and their antibacterial activity.

PubMed

Al-Hada, Naif Mohammed; Mohamed Kamari, Halimah; Abdullah, Che Azurahanim Che; Saion, Elias; Shaari, Abdul H; Talib, Zainal Abidin; Matori, Khamirul Amin

2017-01-01

In the present study, binary oxide (cadmium oxide [CdO]) x (zinc oxide [ZnO]) 1-x nanoparticles (NPs) at different concentrations of precursor in calcination temperature were prepared using thermal treatment technique. Cadmium and zinc nitrates (source of cadmium and zinc) with polyvinylpyrrolidone (capping agent) have been used to prepare (CdO) x (ZnO) 1-x NPs samples. The sample was characterized by X-ray diffraction (XRD), scanning electron microscopy, energy-dispersive X-ray (EDX), transmission electron microscopy (TEM), and Fourier transform infrared (FTIR) spectroscopy. XRD patterns analysis revealed that NPs were formed after calcination, which showed a cubic and hexagonal crystalline structure of (CdO) x (ZnO) 1-x NPs. The phase analysis using EDX spectroscopy and FTIR spectroscopy confirmed the presence of Cd and Zn as the original compounds of prepared (CdO) x (ZnO) 1-x NP samples. The average particle size of the samples increased from 14 to 33 nm as the concentration of precursor increased from x=0.20 to x=0.80, as observed by TEM results. The surface composition and valance state of the prepared product NPs were determined by X-ray photoelectron spectroscopy (XPS) analyses. Diffuse UV-visible reflectance spectra were used to determine the optical band gap through the Kubelka-Munk equation; the energy band gap was found to decrease for CdO from 2.92 to 2.82 eV and for ZnO from 3.22 to 3.11 eV with increasing x value. Additionally, photoluminescence (PL) spectra revealed that the intensity in PL increased with an increase in particle size. In addition, the antibacterial activity of binary oxide NP was carried out in vitro against Escherichia coli ATCC 25922 Gram (-ve), Salmonella choleraesuis ATCC 10708, and Bacillus subtilis UPMC 1175 Gram (+ve). This study indicated that the zone of inhibition of 21 mm has good antibacterial activity toward the Gram-positive B. subtilis UPMC 1175.

Sol-Gel Synthesis of Fe-Doped TiO2 Nanocrystals

NASA Astrophysics Data System (ADS)

Marami, Mohammad Bagher; Farahmandjou, Majid; Khoshnevisan, Bahram

2018-07-01

Fe-doped TiO2 powders were synthesized by the sol-gel method using titanium (IV) isopropoxide (TTIP) as the starting material, ethanol as solvent, and ethylene glycol (EG) as stabilizer. These prepared samples were characterized by x-ray diffractometer (XRD), field emission scanning electron microscope (FESEM), Fourier-transform infrared (FTIR) spectroscopy, diffuse reflection spectroscopy (DRS), energy-dispersive x-ray spectroscopy (EDX), and photoluminescence (PL) analyses to study their structure, morphology, and optical properties. The particle size of Fe-doped TiO2 was in the range of 18-39 nm and the minimum crystallite size was achieved for 4 mol.% of Fe. The XRD result of the samples that were doped with Fe showed a tetragonal structure. It also revealed the coexistence of the anatase and rutile phases, and showed that their ratio changed with various molar concentrations of Fe dopant. FTIR spectroscopy showed the presence of the Ti-O vibration band in the samples. PL analysis revealed the PL property in the UV region. Visible irradiation and the intensity of PL spectra were both reduced by doping TiO2 with 3 mol.% of Fe as compared to the pure variety. The spectra from the DRS showed a red shift and a reduction of 2.6 eV in the band gap energy for 4 mol.% Fe-doped TiO2. The optimum level of impurity (4 mol.%) for Fe-doped TiO2 nanoparticles (NPs), which improve the optical and electrical properties by using new precursors and can be used in solar cells and electronic devices, was determined. The novelty of this work consists of: the Fe/TiO2 NPs are synthesized by new precursors from sol-gel synthesis of iron and TTIP using acetic acid-catalyzed solvolysis (original idea) and the optical properties optimized with a mixture of phases (anatase /rutile) of Fe-doped TiO2 by this facile method.

Synthesis, characterization and photocatalysis enhancement of Eu2O3-ZnO mixed oxide nanoparticles

NASA Astrophysics Data System (ADS)

Mohamed, W. S.; Abu-Dief, Ahmed M.

2018-05-01

Pure ZnO nanoparticles (NPs) and mixed Eu2O3 and ZnO NPs with different Eu2O3 ratios (5%, 10%, and 15%) were synthesized by a precipitation method under optimum conditions. The synthesized samples were characterized by means of X-ray diffraction, scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy, transmission electron microscopy (TEM), Fourier transform infrared (FTIR) spectroscopy, Raman spectroscopy, and UV-vis diffuse reflectance spectroscopy. The as-synthesized ZnO NPs exhibit high phase purity and a highly crystalline wurtzite ZnO structure. The mixed Eu2O3 and ZnO NPs exhibit a Eu2O3 zinc blend phase in addition to the wurtzite phase of pure ZnO, confirming the high purity and good crystallinity of the as-synthesized samples. The high-purity formation of ZnO and Eu2O3 phases was confirmed by FTIR and Raman spectra. Microstructural analysis by SEM and TEM confirmed the sphere-like morphology with different particle sizes (29-40 nm) of the as-synthesized samples. The photocatalytic activities of pure ZnO NPs and mixed Eu2O3 and ZnO NPs for the degradation of methylene blue were evaluated under ultraviolet (UV) irradiation. The results show that Eu2O3 plays an important role in the enhancement of the photocatalytic properties of ZnO NPs. We found that mixed 5% Eu2O3 and ZnO NPs exhibit the highest photocatalytic activity (degradation efficiency of 96.5% after 180 min of UV irradiation) as compared with pure ZnO NPs (degradation efficiency of 80.3% after 180 min of UV irradiation). The increased photocatalytic activity of the optimum mixed Eu2O3 and ZnO NPs is due to the high crystallinity, high surface area with small particle size, and narrow energy gap.

Modifications of hemoglobin and myoglobin by Maillard reaction products (MRPs).

PubMed

Ioannou, Aristos; Varotsis, Constantinos

2017-01-01

High performance liquid chromatography (HPLC) coupled with a Fraction Collector was employed to isolate Maillard reaction products (MRPs) formed in model systems comprising of asparagine and monosaccharides in the 60-180°C range. The primary MRP which is detected at 60°C is important for Acrylamide content and color/aroma development in foods and also in the field of food biotechnology for controlling the extent of the Maillard reaction with temperature. The discrete fractions of the reaction products were reacted with Hemoglobin (Hb) and Myoglobin (Mb) at physiological conditions and the reaction adducts were monitored by UV-vis and Attenuated Total Reflection-Fourier transform infrared (FTIR) spectrophotometry. The UV-vis kinetic profiles revealed the formation of a Soret transition characteristic of a low-spin six-coordinated species and the ATR-FTIR spectrum of the Hb-MRP and Mb-MRP fractions showed modifications in the protein Amide I and II vibrations. The UV-vis and the FTIR spectra of the Hb-MRPs indicate that the six-coordinated species is a hemichrome in which the distal E7 Histidine is coordinated to the heme Fe and blocks irreversibly the ligand binding site. Although the Mb-MRPs complex is a six-coordinated species, the 1608 cm-1 FTIR band characteristic of a hemichrome was not observed.

Fourier Transform Infrared Spectroscopy (FT-IR) and Simple Algorithm Analysis for Rapid and Non-Destructive Assessment of Developmental Cotton Fibers.

PubMed

Liu, Yongliang; Kim, Hee-Jin

2017-06-22

With cotton fiber growth or maturation, cellulose content in cotton fibers markedly increases. Traditional chemical methods have been developed to determine cellulose content, but it is time-consuming and labor-intensive, mostly owing to the slow hydrolysis process of fiber cellulose components. As one approach, the attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy technique has also been utilized to monitor cotton cellulose formation, by implementing various spectral interpretation strategies of both multivariate principal component analysis (PCA) and 1-, 2- or 3-band/-variable intensity or intensity ratios. The main objective of this study was to compare the correlations between cellulose content determined by chemical analysis and ATR FT-IR spectral indices acquired by the reported procedures, among developmental Texas Marker-1 (TM-1) and immature fiber ( im ) mutant cotton fibers. It was observed that the R value, CI IR , and the integrated intensity of the 895 cm -1 band exhibited strong and linear relationships with cellulose content. The results have demonstrated the suitability and utility of ATR FT-IR spectroscopy, combined with a simple algorithm analysis, in assessing cotton fiber cellulose content, maturity, and crystallinity in a manner which is rapid, routine, and non-destructive.

The effect on the radon diffusion coefficient of long-term exposure of waterproof membranes to various degradation agents.

PubMed

Navrátilová Rovenská, Katerina

2014-07-01

Waterproofing, usually made of bitumen or polymers with various additives, is used to protect buildings mainly against dampness, but also against radon transported from the soil beneath the building. The radon diffusion coefficient is a material property which is considered to be strongly influenced by the inner structure (chemical composition, crystallinity) of a measured sample. We have used this parameter together with measurements of mechanical properties (hardness, tensile strength, elongation at break, etc.) and FTIR spectroscopy has been used in order to describe the changes in material properties induced by long-term degradation. This paper summarizes the results of radon diffusion coefficient measurements of waterproof materials exposed to radon, soil bacteria, high temperature and combinations of these factors. We have discovered changes as high as 83 % have been discovered compared to virgin samples. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Comparison of 13C Nuclear Magnetic Resonance and Fourier Transform Infrared spectroscopy for estimating humification and aromatization of soil organic matter

NASA Astrophysics Data System (ADS)

Rogers, K.; Cooper, W. T.; Hodgkins, S. B.; Verbeke, B. A.; Chanton, J.

2017-12-01

Solid state direct polarization 13C NMR spectroscopy (DP-NMR) is generally considered the most quantitatively reliable method for soil organic matter (SOM) characterization, including determination of the relative abundances of carbon functional groups. These functional abundances can then be used to calculate important soil parameters such as degree of humification and extent of aromaticity that reveal differences in reactivity or compositional changes along gradients (e.g. thaw chronosequence in permafrost). Unfortunately, the 13C NMR DP-NMR experiment is time-consuming, with a single sample often requiring over 24 hours of instrument time. Alternatively, solid state cross polarization 13C NMR (CP-NMR) can circumvent this problem, reducing analyses times to 4-6 hours but with some loss of quantitative reliability. Attenuated Total Reflectance Fourier Transform Infrared spectroscopy (ATR-FTIR) is a quick and relatively inexpensive method for characterizing solid materials, and has been suggested as an alternative to NMR for analysis of soil organic matter and determination of humification (HI) and aromatization (AI) indices. However, the quantitative reliability of ATR-FTIR for SOM analyses has never been verified, nor have any ATR-FTIR data been compared to similar measurements by NMR. In this work we focused on FTIR vibrational bands that correspond to the three functional groups used to calculate HI and AI values: carbohydrates (1030 cm-1), aromatics (1510, 1630 cm-1), and aliphatics (2850, 2920 cm-1). Data from ATR-FTIR measurements were compared to analogous quantitation by DP- and CP-NMR using peat samples from Sweden, Minnesota, and North Carolina. DP- and CP-NMR correlate very strongly, although the correlations are not always 1:1. Direct comparison of relative abundances of the three functional groups determined by NMR and ATR-FTIR yielded satisfactory results for carbohydrates (r2= 0.78) and aliphatics (r2=0.58), but less so for aromatics (r2= 0.395). ATR-FTIR has to this point been used primarily for relative abundance analyses (e.g. calculating HI and AI values), but these results suggest FTIR can provide quantitative reliability that approaches that of NMR.

Comparative study of Fourier transform infrared spectroscopy in transmission, attenuated total reflection, and total reflection modes for the analysis of plastics in the cultural heritage field.

PubMed

Picollo, Marcello; Bartolozzi, Giovanni; Cucci, Costanza; Galeotti, Monica; Marchiafava, Veronica; Pizzo, Benedetto

2014-01-01

This study was completed within the framework of two research projects dealing with the conservation of contemporary artworks. The first is the Seventh Framework Project (FP7) of the European Union, Preservation of Plastic ARTefacts in Museum Collections (POPART), spanning years 2008-2012, and the second is the Italian project funded by the Tuscan Region, Preventive Conservation of Contemporary Art (Conservazione Preventiva dell'Arte Contemporanea (COPAC)), spanning 2011-2013. Both of these programs pointed out the great importance of having noninvasive and portable analytical techniques that can be used to investigate and characterize modern and contemporary artworks, especially those consisting of synthetic polymers. Indeed, despite the extensive presence of plastics in museum collections, there is still a lack of analytical tools for identifying, characterizing, and setting up adequate conservation strategies for these materials. In this work, the potentials of in situ and noninvasive Fourier transform infrared (FT-IR) spectroscopy, implemented by means of portable devices that operate in reflection mode, are investigated with a view to applying the results in large-scale surveys of plastic objects in museums. To this end, an essential prerequisite are the reliability of spectral data acquired in situ and the availability of spectral databases acquired from reference materials. A collection of polymeric samples, which are available commercially as ResinKit, was analyzed to create a reference spectral archive. All the spectra were recorded using three FT-IR configurations: transmission (trans), attenuated total reflection (ATR), and total reflection (TR). A comparative evaluation of the data acquired using the three instrumental configurations is presented, together with an evaluation of the similarity percentages and a discussion of the critical cases.

Spectral distribution of UV range diffuse reflectivity for Si+ ion implanted polymers

NASA Astrophysics Data System (ADS)

Balabanov, S.; Tsvetkova, T.; Borisova, E.; Avramov, L.; Bischoff, L.

2008-05-01

The analysis of the UV range spectral characteristics can supply additional information on the formed sub-surface buried layer with implanted dopants. The near-surface layer (50÷150 nm) of bulk polymer samples have been implanted with silicon (Si+) ions at low energies (E = 30 keV) and a wide range of ion doses (D = 1.1013 ÷ 1, 2.1017 cm-2). The studied polymer materials were: ultra-high-molecular-weight polyethylene (UHMWPE), poly-methyl-metacrylate (PMMA) and poly-tetra-fluor-ethylene (PTFE). The diffuse optical reflectivity spectra Rd = f(λ) of the ion implanted samples have been measured in the UV range (λ = 220÷350 nm). In this paper the dose dependences of the size and sign of the diffuse optical reflectivity changes λRd = f(D) have been analysed.

Developments in the realization of diffuse reflectance scales at NPL

NASA Astrophysics Data System (ADS)

Chunnilall, Christopher J.; Clarke, Frank J. J.; Shaw, Michael J.

2005-08-01

The United Kingdom scales for diffuse reflectance are realized using two primary instruments. In the 360 nm to 2.5 μm spectral region the National Reference Reflectometer (NRR) realizes absolute measurement of reflectance and radiance factor by goniometric measurements. Hemispherical reflectance scales are obtained through the spatial integration of these goniometric measurements. In the mid-infrared region (2.5 μm - 55 μm) the hemispherical reflectance scale is realized by the Absolute Hemispherical Reflectometer (AHR). This paper describes some of the uncertainties resulting from errors in aligning the NRR and non-ideality in sample topography, together with its use to carry out measurements in the 1 - 1.6 μm region. The AHR has previously been used with grating spectrometers, and has now been coupled to a Fourier transform spectrometer.

Laboratory and Field Spectroscopy of Moon analogue material

NASA Astrophysics Data System (ADS)

Offringa, Marloes; Foing, Bernard H.

2016-07-01

Samples derived from terrestrial analogue sites are studied to gain insight into lunar processes in their geological context (Foing, Stoker, Ehrenfreund, 2011). For this study samples from the volcanic region of the Eifel, Germany collected during our latest field campaigns in November 2015 and February 2016 (Foing et al., 2010), are analyzed with a variety of spectrometers. The aim is to obtain a database of analyzed samples that could be used as a reference for future in situ measurements. We also use a documented set of Moon-Mars relevant minerals curated at VU Amsterdam. We are using systematically for all samples UV-VIS and NIR reflectance spectrometers, and sporadically a Fourier Transform Infrared (FTIR) spectrometer, an X-Ray Fluorescence (XRF) spectrometer and a Raman laser spectrometer on control samples. Calibration of the UV-VIS and NIR reflectance spectrometers is the main focus of this research in order to obtain the clearest spectra. The calibration of the UV-VIS and NIR reflectance spectrometers requires the use of a good light source as well as suitable optical fibers to create a signal that covers the widest range in wavelengths available. To eliminate noise towards the edges of this range, multiple measurements are averaged and data is processed by dividing the signal by reference spectra. Obtained spectra can be tested for accuracy by comparing them with stationary laboratory spectrometers such as the FTIR spectrometer. The Raman, UV-VIS and NIR are also used in combination with the ExoGeoLab mock-up lander during field campaigns (Foing, Stoker, Ehrenfreund, 2011) also brought again to Eifel in February 2016, to prove the applicability of the equipment in the field. Acknowledgements: we thank Dominic Doyle for ESTEC optical lab support, Euan Monaghan (Leiden U) for FTIR measurement support, Wim van Westrenen for access to VU samples, Oscar Kamps (Utrecht U./ESTEC), Aidan Cowley (EAC) and Matthias Sperl (DLR) for support discussions

Modeling Microalgal Biosediment Formation Based on Attenuated Total Reflection Fourier Transform Infrared (ATR FT-IR) Monitoring.

PubMed

Ogburn, Zachary L; Vogt, Frank

2018-03-01

With increasing amounts of anthropogenic pollutants being released into ecosystems, it becomes ever more important to understand their fate and interactions with living organisms. Microalgae play an important ecological role as they are ubiquitous in marine environments and sequester inorganic pollutants which they transform into organic biomass. Of particular interest in this study is their role as a sink for atmospheric CO 2 , a greenhouse gas, and nitrate, one cause of harmful algal blooms. Novel chemometric hard-modeling methodologies have been developed for interpreting phytoplankton's chemical and physiological adaptations to changes in their growing environment. These methodologies will facilitate investigations of environmental impacts of anthropogenic pollutants on chemical and physiological properties of marine microalgae (here: Nannochloropsis oculata). It has been demonstrated that attenuated total reflection Fourier transform infrared (ATR FT-IR) spectroscopy can gain insights into both and this study only focuses on the latter. From time-series of spectra, the rate of microalgal biomass settling on top of a horizontal ATR element is derived which reflects several of phytoplankton's physiological parameters such as growth rate, cell concentrations, cell size, and buoyancy. In order to assess environmental impacts on such parameters, microalgae cultures were grown under 25 different chemical scenarios covering 200-600 ppm atmospheric CO 2 and 0.35-0.75 mM dissolved NO 3 - . After recording time-series of ATR FT-IR spectra, a multivariate curve resolution-alternating least squares (MCR-ALS) algorithm extracted spectroscopic and time profiles from each data set. From the time profiles, it was found that in the considered concentration ranges only NO 3 - has an impact on the cells' physiological properties. In particular, the cultures' growth rate has been influenced by the ambient chemical conditions. Thus, the presented spectroscopic + chemometric methodology enables investigating the link between chemical conditions in a marine ecosystem and their consequences for phytoplankton living in it.

Diffuse reflectance spectroscopy for optical nerve identification. Preliminary ex vivo results for feedback controlled oral and maxillofacial laser surgery

NASA Astrophysics Data System (ADS)

Stelzle, Florian; Zam, Azhar; Adler, Werner; Douplik, Alexandre; Tangermann-Gerk, Katja; Nkenke, Emeka; Neukam, Friedrich Wilhelm; Schmidt, Michael

Objective: Laser surgery has many advantages. However, due to a lack of haptic feedback it is accompanied by the risk of iatrogenic nerve damage. The aim of this study was to evaluate the possibilities of optical nerve identification by diffuse reflectance spectroscopy to set the base for a feedback control system to enhance nerve preservation in oral and maxillofacial laser surgery. Materials and Methods: Diffuse reflectance spectra of nerve tissue, skin, mucosa, fat tissue, muscle, cartilage and bone (15120 spectra) of ex vivo pig heads were acquired in the wavelength range of 350-650 nm. Tissue differentiation was performed by principal components analysis (PCA) followed by linear discriminant analysis (LDA). Specificity and sensitivity were calculated by receiver operating characteristic (ROC) analysis and the area under curve (AUC). Results: Nerve tissue could correctly be identified and differed from skin, mucosa, fat tissue, muscle, cartilage and bone in more than 90% of the cases (AUC results) with a specificity of over 78% and a sensitivity of more than 86%. Conclusion: Nerve tissue can be identified by diffuse reflectance spectroscopy with high precision and reliability. The results may set the base for a feedback system to prevent iatrogenic nerve damage performing oral and maxillofacial laser surgery.

Probe pressure effects on human skin diffuse reflectance and fluorescence spectroscopy measurements

PubMed Central

Lim, Liang; Nichols, Brandon; Rajaram, Narasimhan; Tunnell, James W.

2011-01-01

Diffuse reflectance and fluorescence spectroscopy are popular research techniques for noninvasive disease diagnostics. Most systems include an optical fiber probe that transmits and collects optical spectra in contact with the suspected lesion. The purpose of this study is to investigate probe pressure effects on human skin spectroscopic measurements. We conduct an in-vivo experiment on human skin tissue to study the short-term (<2 s) and long-term (>30 s) effects of probe pressure on diffuse reflectance and fluorescence measurements. Short-term light probe pressure (P0 < 9 mN∕mm2) effects are within 0 ± 10% on all physiological properties extracted from diffuse reflectance and fluorescence measurements, and less than 0 ± 5% for diagnostically significant physiological properties. Absorption decreases with site-specific variations due to blood being compressed out of the sampled volume. Reduced scattering coefficient variation is site specific. Intrinsic fluorescence shows a large standard error, although no specific pressure-related trend is observed. Differences in tissue structure and morphology contribute to site-specific probe pressure effects. Therefore, the effects of pressure can be minimized when the pressure is small and applied for a short amount of time; however, long-term and large pressures induce significant distortions in measured spectra. PMID:21280899

On the renormalisation of the diffusion asymptotics in the problem of reflection of a narrow optical beam from a biological medium

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

Appanov, A Yu; Barabanenkov, Yu N

2005-12-31

An analytic hybrid method is considered for solving the stationary radiation transfer equation in the problem on reflection of a narrow laser beam from biological media such as the 2% aqueous solution of intralipid and erythrocyte suspension with the volume concentration (hematocrit) H=0.41. The method is based on the reciprocity of the Green function in the radiation transfer theory and on the iteration solution of the integral equation for this function. As a result, the ray intensity is represented as a sum of two terms. The first of them describes the contribution of finite-order scattering to the intensity of amore » beam diffusely reflected from the medium. The second term contains the explicit analytic expression for a spatially distributed effective source of diffuse radiation emerging from the deep layers of the medium to the surface. This approach substantially improves the diffusion approximation for the problem under study and allows one to obtain the uniform asymptotics of the reflection coefficient at the specified interval of distances between the radiation source and detector on the medium surface with the relative error within {+-}6% for the 2% intralipid emulsion and erythrocyte suspension (H=0.41). (radiation scattering)« less

Fabrication, characterization, and photocatalytic property of α-Fe2O3/graphene oxide composite

NASA Astrophysics Data System (ADS)

Li, Hong; Zhao, Qidong; Li, Xinyong; Zhu, Zhengru; Tade, Moses; Liu, Shaomin

2013-06-01

Spindle-shaped microstructure of α-Fe2O3 was successfully synthesized by a simple hydrothermal method. The α-Fe2O3/graphene oxide (GO) composites was prepared using a modified Hummers' strategy. The properties of the samples were systematically investigated by X-ray powder diffraction (XRD), UV-Vis diffuse reflectance spectrophotometer, transmission electron microscope, atomic force microscope, X-ray photoelectron spectroscopy, and Raman spectroscopy (Raman) techniques. GO nanosheets act as supporting materials for anchoring the α-Fe2O3 particles. The average crystallite sizes of the α-Fe2O3 and α-Fe2O3/GO samples are ca. 27 and 24 nm, respectively. The possible growth of α-Fe2O3 onto GO layers led to a higher absorbance capacity for visible light by α-Fe2O3/GO than α-Fe2O3 composite. The photocatalytic degradation of toluene over the α-Fe2O3 and α-Fe2O3/GO samples under xenon-lamp irradiation was comparatively studied by in situ FTIR technique. The results indicate that the α-Fe2O3/GO sample synthesized exhibited a higher capacity for the degradation of toluene. The composite of α-Fe2O3/GO could be promisingly applied in photo-driven air purification.

Growth, crystalline perfection, spectral, thermal and theoretical studies on imidazolium L-tartrate crystals.

PubMed

Meena, K; Muthu, K; Meenatchi, V; Rajasekar, M; Bhagavannarayana, G; Meenakshisundaram, S P

2014-04-24

Transparent optical quality single crystals of imidazolium L-tartrate (IMLT) were grown by conventional slow evaporation solution growth technique. Crystal structure of the as-grown IMLT was determined by single crystal X-ray diffraction analysis. Thermal analysis reveals the purity of the crystal and the sample is stable up to the melting point. Good transmittance in the visible region is observed and the band gap energy is estimated using diffuse reflectance data by the application of Kubelka-Munk algorithm. The powder X-ray diffraction study reveals the crystallinity of the as-grown crystal and it is compared with that of the experimental one. An additional peak in high resolution X-ray diffraction (HRXRD) indicates the presence of an internal structural low angle boundary. Second harmonic generation (SHG) activity of IMLT is significant as estimated by Kurtz and Perry powder technique. HOMO-LUMO energies and first-order molecular hyperpolarizability of IMLT have been evaluated using density functional theory (DFT) employing B3LYP functional and 6-31G(d,p) basis set. The optimized geometry closely resembles the ORTEP. The vibrational patterns present in the molecule are confirmed by FT-IR coinciding with theoretical patterns. Copyright © 2014 Elsevier B.V. All rights reserved.

Potential of Sm3+ doped LiSrVO4 nanophosphor to fill amber gap in LEDs

NASA Astrophysics Data System (ADS)

Biswas, P.; Kumar, Vinay; Sharma, Vishal; Bedyal, A. K.; Padha, Naresh; Swart, H. C.

2018-04-01

The LiSrVO4:Sm3+ phosphor powders were synthesized by the combustion method by varying the concentration of the Sm3+ ions from 0.25 mol% to 2.5 mol%. The powder X-ray diffraction (XRD) studies confirmed that the phosphors were crystallized as monoclinic structure belonging to space group P2/m and the transmission electron microscopy (TEM) revealed nanosized grains of the powders. The Fourier transform infrared studies (FTIR) established the formation of non-hygroscopic vanadate powders. The photoluminescence (PL) and diffused reflectance studies (DRS) were also carried out and discussed. Under 401 nm excitation, the optimized phosphor exhibited the characteristic 568, 600, 646 and 704 nm emissions of Sm3+ which corresponded to the orange-red (amber) color with (0.59, 0.41) Commission Internationale de' Eclairage (CIE) chromaticity coordinates. Concentration quenching of phosphor intensity on account of non-radiative energy transfer was ascribed to dipole-dipole interaction between activators. DRS study reveals that the host of the phosphor is a wide bandgap material which accommodates the dopant successfully. The present results signify that the LiSrVO4:Sm3+ phosphor can suitably be excited by the GaN family of UV-LEDs chips for efficient amber LEDs applications.

Investigation on optical band gap, photoluminescence properties and concentration quenching mechanism of Pb1 - x Tb3 +xWO4 green-emitting phosphors

NASA Astrophysics Data System (ADS)

Chanu, Thokchom Taru Taru; Rajmuhon Singh, N.

2018-02-01

A series of monophasic Tb3 + (2, 5, 7, 10 and 15 at%) doped PbWO4 phosphors were successfully prepared via hydrothermal method. X-ray diffraction patterns revealed that the prepared samples possess a high crystallinity with tetragonal scheelite-type structure. FT-IR and Raman analysis exhibited a Wsbnd O stretching peak of WO42 - group, which is also related to the scheelite structure. UV-visible diffuse reflectance spectra indicated a reduction in the optical band gap with the replacement of Pb2 + by Tb3 + ions. The presence of strong and intense emission peaks characteristic of Tb3 + with the dominant peak at 545 nm (green, 5D4 → 7F5 transition) under UV irradiation at 320 nm demonstrated an efficient energy transfer from the host to Tb3 + ions. Using Van Uitert's model, the concentration quenching mechanism between Tb3 + ions in PbWO4:Tb3 + phosphor was attributed to a dipole-dipole interaction and the critical distance was determined to be 12 Å. The decay lifetimes and CIE chromaticity co-ordinates of PbWO4:Tb3 + phosphors were also investigated in detail. These prepared materials might serve as a potential phosphor for LED applications.

Facile synthesis of 2-D Cu doped WO3 nanoplates with structural, optical and differential anti cancer characteristics

NASA Astrophysics Data System (ADS)

Mehmood, Faisal; Iqbal, Javed; Gul, Asma; Ahmed, Waqqar; Ismail, M.

2017-04-01

Simple chemical co-precipitation method has been employed to synthesize two dimensional copper (Cu) doped tungsten oxide (WO3) nanoplates. A numbers of characterization techniques have been used to investigate their structural, optical and biocompatible anti cancer properties. The XRD results have confirmed the monoclinic crystal structure of WO3 nanoplates, and also successful doping of Cu ions into the WO3 crystal lattice. The presence of functional groups and chemical bonding have been verified through FTIR and Raman spectroscopy. The SEM images demonstrate that both undoped and Cu doped WO3 samples have squares plate like morphology. The EDX spectra confirm the presence of Cu, W and O ions. Diffuse reflectance spectroscopy (DRS) analysis has revealed a substantial red-shift in the absorption edge and a decrease in the band gap energy of nanoplates with Cu doping. Photoluminescence spectroscopy has been used to study the presence of defects like oxygen vacancies. Furthermore, the differential cytotoxic properties of Cu doped WO3 samples have been evaluated against human breast (MCF-7) and liver (Hep-2) cancer cells with ectocervical epithelial (HECE) healthy cells. The present findings confirm that the Cu doped WO3 nanoplates can be used as an efficient biocompatible anti cancer agent.

Layered double hydroxide of Cd-Al/C for the Mineralization and De-coloration of Dyes in Solar and Visible Light Exposure

NASA Astrophysics Data System (ADS)

Khan, Shahid Ali; Khan, Sher Bahadar; Asiri, Abdullah M.

2016-11-01

Cd-Al/C layered double hydroxide (Cd-Al/C-LDH) and Cd-Sb/C nanocatalyst are reported here for the de-coloration and mineralization of organic dyes. These catalysts were largely characterized by FESEM, EDS, XRD, FTIR, XPS, PL and DRS. The diffuse reflectance data showed a band gap at 2.92 and 2.983 eV for Cd-Al/C-LDH and Cd-Sb/C respectively. The band gap suggested that both catalysts work well in visible range. The photoluminescence spectra indicated a peak at 623 nm for both the catalysts which further support the effectiveness of the respective catalyst in visible range. Both catalysts also showed good recyclability and durability till 4th cycle. Five dyes, acridine orange (AO), malachite green (MG), crystal violet (CV), congo red (CR) and methyl orange (MO) were used in this experiment. Various parameters of different light intensity such as visible, ultraviolet, sunlight and dark condition are observed for the de-coloration of these dyes. The de-coloration phenomenon was proceeded through adsorption assisted phot-degradation. The low cost, abundant nature, good recyclability and better dye removal efficiency make these catalysts suitable candidates for the de-coloration and mineralization of organic dyes.

Utilization of visible to NIR light energy by Yb+3, Er+3 and Tm+3 doped BiVO4 for the photocatalytic degradation of methylene blue

NASA Astrophysics Data System (ADS)

Regmi, Chhabilal; Kshetri, Yuwaraj K.; Ray, Schindra Kumar; Pandey, Ramesh Prasad; Lee, Soo Wohn

2017-01-01

Lanthanide-doped BiVO4 semiconductors with efficient photocatalytic activities over a broad range of the solar light spectrum have been synthesized by the microwave hydrothermal method using ethylenediaminetetraacetic acid (EDTA). The structural, morphological, and optical properties of the as-synthesized samples were evaluated by Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), X-ray powder diffraction (XRD), Raman spectroscopy, FT-IR spectroscopy, UV-vis diffuse reflectance spectroscopy (DRS), and photoluminescence spectroscopy (PL). The chemical compositions were analyzed by X-ray photoelectron spectroscopy (XPS). The toxicity of the samples was measured using Mus musculus skin melanoma cells (B16-F10 (ATCC® CRL-6475™)) and were found to be nontoxic for human cells. The photocatalytic efficiency of the prepared samples was evaluated by methylene blue (MB) degradation. The best photocatalytic activity was shown by BiVO4 with 6:3:3 mol percentage of Yb+3:Er+3:Tm+3 in all solar light spectrum. The synthesized samples possess low band gap energy and a hollow structure suitable for the better photocatalytic activity. The observed NIR photoactivity supports that the upconversion mechanism is involved in the overall photocatalytic process. Therefore, this approach provides a better alternative upconversion material for integral solar light absorption.

Facile Preparation of Nano-Bi2MoO6/Diatomite Composite for Enhancing Photocatalytic Performance under Visible Light Irradiation

PubMed Central

Gong, Jiuyan; Liu, Jianshe; Song, Wendong; Ji, Lili

2018-01-01

In this work, a new nano-Bi2MoO6/diatomite composite photocatalyst was successfully synthesized by a facile solvothermal method. Scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), and UV-vis diffuse reflection spectroscopy (DRS) were employed to investigate the morphology, crystal structure, and optical properties. It was shown that nanometer-scaled Bi2MoO6 crystals were well-deposited on the surface of Bi2MoO6/diatomite. The photocatalytic activity of the obtained samples was evaluated by the degradation of rhodamine B (RhB) under the visible light (λ > 420 nm) irradiation. Moreover, trapping experiments were performed to investigate the possible photocatalytic reaction mechanism. The results showed that the nano-Bi2MoO6/diatomite composite with the mass ratio of Bi2MoO6 to diatomaceous earth of 70% exhibited the highest activity, and the RhB degradation efficiency reached 97.6% within 60 min. The main active species were revealed to be h+ and•O2−. As a photocatalytic reactor, its recycling performance showed a good stability and reusability. This new composite photocatalyst material holds great promise in the engineering field for the environmental remediation. PMID:29425138

Steam-assisted crystallization of TPA{sup +}-exchanged MCM-41 type mesoporous materials with thick pore walls

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

Chen, Hong Li; Zhang, Kun; Wang, Yi Meng, E-mail: ymwang@chem.ecnu.edu.cn

2012-07-15

Highlights: ► Mesoporous Ti-containing silica with thicker pore walls was synthesized. ► Ion-exchange and steam-assisted crystallization led to MCM-41/MFI composite. ► The introduction of Ti inhibited the formation of separated MFI particles. ► Lower temperature favored retaining mesoporous characteristics and morphology. -- Abstract: Hierarchical MCM-41/MFI composites were synthesized through ion-exchange of as-made MCM-41 type mesoporous materials with tetrapropylammonium bromide and subsequent steam-assisted recrystallization. The obtained samples were characterized by powder X-ray diffraction (XRD), UV–vis diffuse reflectance spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis, FT-IR, {sup 1}H–{sup 13}C CP/MAS and nitrogen adsorption–desorption. The XRD patterns show thatmore » the MCM-41/MFI composite possesses both ordered MCM-41 phase and zeolite MFI phase. SEM and TEM images indicate that the recrystallized materials retained the mesoporous characteristics and the morphology of as-made mesoporous materials without the formation of bulky zeolite, quite different from the mechanical mixture of MCM-41 and MFI structured zeolite. Among others, lower recrystallization temperature and the introduction of the titanium to the parent materials are beneficial to preserve the mesoporous structure during the recrystallization process.« less

Synthesis aspects, structural, spectroscopic, antimicrobial and room temperature ferromagnetism of zinc iodide complex with Schiff based ligand.

PubMed

Shakila, K; Kalainathan, S

2015-01-25

In this paper, we report the successful growth of complex compound of zinc iodide with thiocarbamide by slow evaporation method. The single crystal XRD study reveals that the crystal belongs to monoclinic system with centrosymmetric space group and powder XRD analysis shows that the perfect crystalline nature of the crystal. The presence of functional group and element were confirmed from FT-IR and EDAX analysis. Optical absorbance of the grown crystal was studied by UV-Vis spectrophotometer. The optical constants were calculated from the optical absorbance data such as refractive index (n), extinction coefficient (K) and reflectance (R). The optical band gap (Eg) of thiocarbamide zinc iodide crystal is 4.22 eV. The magnetic properties of grown crystal have been determined by Vibrating Sample Magnetometry (VSM). Room temperature magnetization revealed a ferromagnetic behaviour for the grown crystal. The antibacterial and antifungal activities of the title compound were performed by well diffusion method and MIC method against the standard bacteria like Staphylococcus aureus, Escherichia coli, Klebsiella pneumonia and against fungus like Aspergillus niger, Rhizopus sps and Penicillium sps. Thermal behaviour of the crystal has been investigated using thermogravimetric analysis (TGA) and differential thermal analysis (DTA). Copyright © 2014. Published by Elsevier B.V.

Synthesis of Co2+-doped Fe2O3 photocatalyst for degradation of pararosaniline dye

NASA Astrophysics Data System (ADS)

Suresh, R.; Giribabu, K.; Manigandan, R.; Mangalaraja, R. V.; Solorza, Jorge Yanez; Stephen, A.; Narayanan, V.

2017-06-01

In this paper, x (=2, 5, 7 and 10mol%) Co2+-doped Fe2O3 (xCo:Fe2O3) nanoparticles with enhanced photocatalytic activity have been reported. xCo:Fe2O3 nanoparticles were successfully prepared by co-precipitation followed thermal decomposition method. The structural, optical and morphological properties of the prepared samples were studied by X-ray diffraction (XRD), Fourier transform infrared (FT-IR), X-ray photoelectron spectroscopy (XPS), diffuse reflectance (DR) UV-visible absorption spectroscopy, scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The obtained results revealed that Co2+ ions were well doped within the lattices of Fe2O3. Also, Co2+ ions suppress the formation of the most stable α- Fe2O3 and stabilize less stable γ-Fe2O3 at 450 °C. The photocatalytic activity of xCo:Fe2O3 was examined by using pararosaniline (PR) dye. It was found that photocatalytic degradation of PR depends on dopant concentration (Co2+ ions). Relatively, the highest photocatalytic activity was observed for 5%Co:Fe2O3 nanoparticles. The plausible photocatalytic degradation pathway of PR at xCo:Fe2O3 surface has also been proposed.

Spinel NixZn1-xFe2O4 (0.0 ≤ x ≤ 1.0) nano-photocatalysts: Synthesis, characterization and photocatalytic degradation of methylene blue dye

NASA Astrophysics Data System (ADS)

Padmapriya, G.; Manikandan, A.; Krishnasamy, V.; Jaganathan, Saravana Kumar; Antony, S. Arul

2016-09-01

Spinel NixZn1-xFe2O4 (x = 0.0 to 1.0) nanoparticles were successfully synthesized by a simple microwave combustion method (MCM) using metal nitrates as raw materials and glycine as the fuel. The structural, morphological and opto-magnetic properties of the spinel NixZn1-xFe2O4 ferrites were determined by X-ray diffraction (XRD), Fourier transform infrared (FT-IR), high resolution scanning electron microscopy (HR-SEM), energy dispersive X-ray (EDX) spectroscopy, high resolution transmission electron microscopy (HR-TEM), selected area electron diffraction (SAED) pattern, UV-Visible diffuse reflectance spectroscopy (DRS), photoluminescence (PL) spectroscopy and vibrating sample magnetometer (VSM). Powder XRD, and EDX analysis was confirmed the formation of pure phase of spinel ferrites. HR-SEM and HR-TEM analysis was confirmed the formation of sphere like-particle morphology of the samples with smaller agglomeration. VSM analysis clearly showed the superparamagnetic and ferromagnetic nature of the samples. The Ms value is 3.851 emu/g for undoped ZnFe2O4 sample and it increased with increase in Ni content. Photo-catalytic degradation (PCD) of methylene blue (MB) dye using the samples were carried out and observed good PCD results.

Optical Reflectance Measurements for Commonly Used Reflectors

NASA Astrophysics Data System (ADS)

Janecek, Martin; Moses, William W.

2008-08-01

When simulating light collection in scintillators, modeling the angular distribution of optical light reflectance from surfaces is very important. Since light reflectance is poorly understood, either purely specular or purely diffuse reflectance is generally assumed. In this paper we measure the optical reflectance distribution for eleven commonly used reflectors. A 440 nm, output power stabilized, un-polarized laser is shone onto a reflector at a fixed angle of incidence. The reflected light's angular distribution is measured by an array of silicon photodiodes. The photodiodes are movable to cover 2pi of solid angle. The light-induced current is, through a multiplexer, read out with a digital multimeter. A LabVIEW program controls the motion of the laser and the photodiode array, the multiplexer, and the data collection. The laser can be positioned at any angle with a position accuracy of 10 arc minutes. Each photodiode subtends 6.3deg, and the photodiode array can be positioned at any angle with up to 10 arc minute angular resolution. The dynamic range for the current measurements is 10 5:1. The measured light reflectance distribution was measured to be specular for several ESR films as well as for aluminum foil, mostly diffuse for polytetrafluoroethylene (PTFE) tape and titanium dioxide paint, and neither specular nor diffuse for Lumirrorreg, Melinexreg and Tyvekreg. Instead, a more complicated light distribution was measured for these three materials.

Ionomers for Ion-Conducting Energy Materials

NASA Astrophysics Data System (ADS)

Colby, Ralph

For ionic actuators and battery separators, it is vital to utilize single-ion conducting ionomers that avoid the detrimental polarization of other ions. Single-ion conducting ionomers are synthesized based on DFT calculations, with low glass transition temperatures (facile dynamics) to prepare ion-conducting membranes for battery separators that conduct Li+ or Na+. Characterization by X-ray scattering, dielectric spectroscopy, FTIR, NMR and linear viscoelasticity collectively develop a coherent picture of ionic aggregation and both counterion and polymer dynamics. 7Li NMR diffusion measurements find that diffusion is faster than expected by conductivity using the Nernst-Einstein equation, which means that the majority of Li diffusion occurs by ion pairs moving with the polymer segmental motion. Segmental motion only contributes to ionic conduction in the rare event that one of these ion pairs has an extra Li (a positive triple ion). This leads us to a new metric for ion-conducting soft materials, the product of the cation number density p0 and their diffusion coefficient D; p0D is the diffusive flux of lithium ions. This new metric has a maximum at intermediate ion content that corresponds to the overlap of ion pair polarizability volumes. At higher ion contents, the ion pairs interact strongly and form larger aggregation states that retard segmental motion of both mobile ion pairs and triple ions.

Side chain variations radically alter the diffusion of poly(2-alkyl-2-oxazoline) functionalised nanoparticles through a mucosal barrier.

PubMed

Mansfield, Edward D H; de la Rosa, Victor R; Kowalczyk, Radoslaw M; Grillo, Isabelle; Hoogenboom, Richard; Sillence, Katy; Hole, Patrick; Williams, Adrian C; Khutoryanskiy, Vitaliy V

2016-08-16

Functionalised nanomaterials are gaining popularity for use as drug delivery vehicles and, in particular, mucus penetrating nanoparticles may improve drug bioavailability via the oral route. To date, few polymers have been investigated for their muco-penetration, and the effects of systematic structural changes to polymer architectures on the penetration and diffusion of functionalised nanomaterials through mucosal tissue have not been reported. We investigated the influence of poly(2-oxazoline) alkyl side chain length on nanoparticle diffusion; poly(2-methyl-2-oxazoline), poly(2-ethyl-2-oxazoline), and poly(2-n-propyl-2-oxazoline) were grafted onto the surface of thiolated silica nanoparticles and characterised by FT-IR, Raman and NMR spectroscopy, thermogravimetric analysis, and small angle neutron scattering. Diffusion coefficients were determined in water and in a mucin dispersion (using Nanoparticle Tracking Analysis), and penetration through a mucosal barrier was assessed using an ex vivo fluorescence technique. The addition of a single methylene group in the side chain significantly altered the penetration and diffusion of the materials in both mucin dispersions and mucosal tissue. Nanoparticles functionalised with poly(2-methyl-2-oxazoline) were significantly more diffusive than particles with poly(2-ethyl-2-oxazoline) while particles with poly(2-n-propyl-2-oxazoline) showed no significant increase compared to the unfunctionalised particles. These data show that variations in the polymer structure can radically alter their diffusive properties with clear implications for the future design of mucus penetrating systems.

UV–Vis and ATR–FTIR spectroscopic investigations of postmortem interval based on the changes in rabbit plasma

PubMed Central

Wang, Qi; He, Haijun; Li, Bing; Lin, Hancheng; Zhang, Yinming; Zhang, Ji

2017-01-01

Estimating PMI is of great importance in forensic investigations. Although many methods are used to estimate the PMI, a few investigations focus on the postmortem redistribution. In this study, ultraviolet–visible (UV–Vis) measurement combined with visual inspection indicated a regular diffusion of hemoglobin into plasma after death showing the redistribution of postmortem components in blood. Thereafter, attenuated total reflection–Fourier transform infrared (ATR–FTIR) spectroscopy was used to confirm the variations caused by this phenomenon. First, full-spectrum partial least-squares (PLS) and genetic algorithm combined with PLS (GA-PLS) models were constructed to predict the PMI. The performance of GA-PLS model was better than that of full-spectrum PLS model based on its root mean square error (RMSE) of cross-validation of 3.46 h (R2 = 0.95) and the RMSE of prediction of 3.46 h (R2 = 0.94). The investigation on the similarity of spectra between blood plasma and formed elements also supported the role of redistribution of components in spectral changes in postmortem plasma. These results demonstrated that ATR-FTIR spectroscopy coupled with the advanced mathematical methods could serve as a convenient and reliable tool to study the redistribution of postmortem components and estimate the PMI. PMID:28753641

Blood glucose measurement in vivo using hollow-fiber based, mid-infrared ATR probe with multi-reflection prism

NASA Astrophysics Data System (ADS)

Kino, Saiko; Omori, Suguru; Matsuura, Yuji

2016-03-01

An attenuated-total-reflection (ATR), mid-infrared spectroscopy system that consists of hollow optical fibers, a trapezoidal multi-reflection ATR prism, and a conventional FT-IR spectrometer has been developed to measure blood glucose levels. Owing to the low transmission loss and high flexibility of the hollow-optical fiber, the system can measure any sites of the human body where blood capillaries are close to the surface of mucosa, such as inner lips. Using a multi-reflection prism brought about higher sensitivity, and the flat and wide contact surface of the prism resulted in higher measurement reproducibility. The results of in-vivo measurement of human inner lips showed the feasibility of the proposed system, and the measurement errors were within 20%.

Specular, diffuse and polarized imagery of an oat canopy

NASA Technical Reports Server (NTRS)

Vanderbilt, Vern C.; De Venecia, Kurt J.

1988-01-01

Light, polarized by specular reflection, has been found to be an important part of the light scattered by several measured plant canopies. The authors investigate for one canopy the relative importance of specularly reflected sunlight, specularly reflected light from other sources including skylight, and diffusely upwelling light. Polarization images are used to gain increased understanding of the radiation transfer process in a plant canopy. Analysis of the results suggests that properly analyzed polarized remotely sensed data, acquired under specific atmospheric conditions by a specially designed sensor, potentially provide measures of physiological and morphological states of plants in a canopy.

Growth and antimicrobial studies of γ-glycine crystal grown using CuSO4

NASA Astrophysics Data System (ADS)

Vijayalakshmi, V.; Dhanasekaran, P.

2018-05-01

In the current work single crystals of pure and 1M of CuSO4-added glycine were grown by slow evaporation method and its optical and antimicrobial properties were studied. The Polymorph of glycine transforms from a-glycine to γ-glycine due to the incorporation of CuSO4 on glycine was affirmed by the PXRD and FTIR studies. The impact of CuSO4 on the antimicrobial action of the grown samples was deliberate by utilizing the agar diffusion method.

Neutron Reflectivity Measurement for Polymer Dynamics near Graphene Oxide Monolayers

NASA Astrophysics Data System (ADS)

Koo, Jaseung

We investigated the diffusion dynamics of polymer chains confined between graphene oxide layers using neutron reflectivity (NR). The bilayers of polymethylmetacrylate (PMMA)/ deuterated PMMA (d-PMMA) films and polystyrene (PS)/d-PS films with various film thickness sandwiched between Langmuir-Blodgett (LB) monolayers of graphene oxide (GO) were prepared. From the NR results, we found that PMMA diffusion dynamics was reduced near the GO surface while the PS diffusion was not significantly changed. This is due to the different strength of GO-polymer interaction. In this talk, these diffusion results will be compared with dewetting dynamics of polymer thin films on the GO monolayers. This has given us the basis for development of graphene-based nanoelectronics with high efficiency, such as heterojunction devices for polymer photovoltaic (OPV) applications.

Exploring the effect of diffuse reflection on indoor localization systems based on RSSI-VLC.

PubMed

Mohammed, Nazmi A; Elkarim, Mohammed Abd

2015-08-10

This work explores and evaluates the effect of diffuse light reflection on the accuracy of indoor localization systems based on visible light communication (VLC) in a high reflectivity environment using a received signal strength indication (RSSI) technique. The effect of the essential receiver (Rx) and transmitter (Tx) parameters on the localization error with different transmitted LED power and wall reflectivity factors is investigated at the worst Rx coordinates for a directed/overall link. Since this work assumes harsh operating conditions (i.e., a multipath model, high reflectivity surfaces, worst Rx position), an error of ≥ 1.46 m is found. To achieve a localization error in the range of 30 cm under these conditions with moderate LED power (i.e., P = 0.45 W), low reflectivity walls (i.e., ρ = 0.1) should be used, which would enable a localization error of approximately 7 mm at the room's center.

Effect of gamma radiation on low density polyethylene (LDPE) films: optical, dielectric and FTIR studies.

PubMed

Moez, A Abdel; Aly, S S; Elshaer, Y H

2012-07-01

The low density polyethylene (LDPE) films were irradiated with gamma radiation in the dose range varied from 20 to 400 kGy. The induced changes in the chemical structure and dielectric properties for the irradiated films were investigated. The structure modifications: crystallinity as well as possible molecular changes of the polymer were recognized using Fourier Transform Infrared Spectroscopy (FTIR). The optical results were determined from transmission, reflection and absorption spectra for these films. The dielectric properties of these films were calculated using optical methods. Result indicates small variation in crystallinity which could be increased or decreased depending on the relative importance of the structural and chemical changes. Copyright © 2012 Elsevier B.V. All rights reserved.

Diagnostics of normal and cancer tissues by fiberoptic evanescent wave Fourier transform IR (FEW-FTIR) spectroscopy

NASA Astrophysics Data System (ADS)

Afanasyeva, Natalia I.

1998-06-01

Fourier Transform Infrared (FTIR) Spectroscopy using optical fibers operated in the attenuated total reflection (ATR) regime in the mid-IR region in the range 850 to 4000 cm-1 has recently found an application in the noninvasive diagnostics of tissues in vivo. The method is suitable for nondestructive, nontoxic, fast (seconds), direct measurements of the spectra of normal and pathological tissues in vitro, ex vivo, and in vivo in real time. The aim of our studies is the express testing of various tumor tissues at the early stages of their development. The method is expected to be further developed for endoscopic and biopsy applications as well as for the research of different materials.

Specular Reflection and Diffuse Reflectance Spectroscopy of Soils

USDA-ARS?s Scientific Manuscript database

Studies on the occurrence and effects of specular reflection in mid-infrared spectra of soils have shown that distortions due to specular reflection occur for both organic (humic acid) and non-organic fractions (carbonates, silica, ashed fraction of soil). The results demonstrated explain why the s...

Acoustic radiosity for computation of sound fields in diffuse environments

NASA Astrophysics Data System (ADS)

Muehleisen, Ralph T.; Beamer, C. Walter

2002-05-01

The use of image and ray tracing methods (and variations thereof) for the computation of sound fields in rooms is relatively well developed. In their regime of validity, both methods work well for prediction in rooms with small amounts of diffraction and mostly specular reflection at the walls. While extensions to the method to include diffuse reflections and diffraction have been made, they are limited at best. In the fields of illumination and computer graphics the ray tracing and image methods are joined by another method called luminous radiative transfer or radiosity. In radiosity, an energy balance between surfaces is computed assuming diffuse reflection at the reflective surfaces. Because the interaction between surfaces is constant, much of the computation required for sound field prediction with multiple or moving source and receiver positions can be reduced. In acoustics the radiosity method has had little attention because of the problems of diffraction and specular reflection. The utility of radiosity in acoustics and an approach to a useful development of the method for acoustics will be presented. The method looks especially useful for sound level prediction in industrial and office environments. [Work supported by NSF.

Re-evaluation of model-based light-scattering spectroscopy for tissue spectroscopy

PubMed Central

Lau, Condon; Šćepanović, Obrad; Mirkovic, Jelena; McGee, Sasha; Yu, Chung-Chieh; Fulghum, Stephen; Wallace, Michael; Tunnell, James; Bechtel, Kate; Feld, Michael

2009-01-01

Model-based light scattering spectroscopy (LSS) seemed a promising technique for in-vivo diagnosis of dysplasia in multiple organs. In the studies, the residual spectrum, the difference between the observed and modeled diffuse reflectance spectra, was attributed to single elastic light scattering from epithelial nuclei, and diagnostic information due to nuclear changes was extracted from it. We show that this picture is incorrect. The actual single scattering signal arising from epithelial nuclei is much smaller than the previously computed residual spectrum, and does not have the wavelength dependence characteristic of Mie scattering. Rather, the residual spectrum largely arises from assuming a uniform hemoglobin distribution. In fact, hemoglobin is packaged in blood vessels, which alters the reflectance. When we include vessel packaging, which accounts for an inhomogeneous hemoglobin distribution, in the diffuse reflectance model, the reflectance is modeled more accurately, greatly reducing the amplitude of the residual spectrum. These findings are verified via numerical estimates based on light propagation and Mie theory, tissue phantom experiments, and analysis of published data measured from Barrett’s esophagus. In future studies, vessel packaging should be included in the model of diffuse reflectance and use of model-based LSS should be discontinued. PMID:19405760

Characterization of MODIS and SeaWiFS Solar Diffuser On-Orbit Degradation

NASA Technical Reports Server (NTRS)

Xiong, X.; Eplee, R. E., Jr.; Sun, J.; Patt, F. S.; Angal, A.; McClain, C. R.

2009-01-01

MODIS has 20 reflective solar bands (RSB), covering the VIS, NIR, and SWIR spectral regions. They are calibrated on-orbit using a solar diffuser (SD) panel, made of space-grade Spectralon. The SD bi-directional reflectance factor (BRF) was characterized pre-launch by the instrument vendor reference to the NIST reflectance standard. Its on-orbit degradation is tracked by an on-board solar diffuser stability monitor (SDSM). The SeaWifS on-orbit calibration strategy uses monthly lunar observations to monitor the long-term radiometric stability of the instrument and applies daily observations of its solar diffuser (an aluminum plate coated with YB71 paint) to track the short-term changes in the instrument response. This paper provides an overview of MODIS and SeaWiFS SD observations, applications, and approaches used to track their on-orbit degradations. Results from sensors are presented with emphasis on the spectral dependence and temporal trends of the SD degradation. Lessons and challenges from the use of SD for sensor on-orbit calibration are also discussed.

Influence of earlobe thickness on near infrared spectroscopy

NASA Astrophysics Data System (ADS)

Jiang, Jingying; Wang, Tianpei; Li, Si; Li, Lin; Liu, Jiajia; Xu, Kexin

2017-03-01

Near-infrared spectroscopy has been recognized as a potential technology for noninvasive blood glucose sensing. However, the detected spectral signal is unstable mainly because of (1) the weak light absorption of glucose itself within NIR range, (2) the influence of temperature and individual differences of biotissue. Our previous results demonstrated that the synergistic effect of both transmittance and reflectance could enhance the strength of the detection signal. In this talk, we design a set of experiments to analyze the effect of earlobe thickness on Near Infrared spectroscopic measurement by using home-made optical fiber probe within the wavelength of 1000-1600nm. Firstly, we made a MC simulation of single-layer skin model and five-layer skin model to get the diffused transmittance spectra and diffused reflectance spectra under different optaical path lengths. And then we obtain the spectra of the earlobes from different volunteers by the same way. The experimental results showed that with the increase of the thickness,the light intensity of diffused transmittance decreases, and the light intensity of diffused reflectance remaines substantially unchanged.

An improved thin film approximation to accurately determine the optical conductivity of graphene from infrared transmittance

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

Weber, J. W.; Bol, A. A.; Sanden, M. C. M. van de

2014-07-07

This work presents an improved thin film approximation to extract the optical conductivity from infrared transmittance in a simple yet accurate way. This approximation takes into account the incoherent reflections from the backside of the substrate. These reflections are shown to have a significant effect on the extracted optical conductivity and hence on derived parameters as carrier mobility and density. By excluding the backside reflections, the error for these parameters for typical chemical vapor deposited (CVD) graphene on a silicon substrate can be as high as 17% and 45% for the carrier mobility and density, respectively. For the mid- andmore » near-infrared, the approximation can be simplified such that the real part of the optical conductivity is extracted without the need for a parameterization of the optical conductivity. This direct extraction is shown for Fourier transform infrared (FTIR) transmittance measurements of CVD graphene on silicon in the photon energy range of 370–7000 cm{sup −1}. From the real part of the optical conductivity, the carrier density, mobility, and number of graphene layers are determined but also residue, originating from the graphene transfer, is detected. FTIR transmittance analyzed with the improved thin film approximation is shown to be a non-invasive, easy, and accurate measurement and analysis method for assessing the quality of graphene and can be used for other 2-D materials.« less

Role of hydration and water coordination in micellization of Pluronic block copolymers.

PubMed

Šturcová, Adriana; Schmidt, Pavel; Dybal, Jiří

2010-12-15

Raman, attenuated total reflectance FTIR, near-infrared spectroscopy, and DFT calculations have been used in a study of aqueous solutions of three tri-block copolymers poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) or PEO-PPO-PEO with commercial names Pluronic PE6200, PE6400 and F68. It is shown that the process of micellization as a response to increased temperature is reflected in the hydroxyl stretching region of infrared and Raman spectra, which contains information both about restructuring of water and changes of polymer chains in polymer/water aggregates. Raman spectra exhibit differences between individual Pluronics even at temperatures below the critical micellization temperature (CMT). According to the attenuated total reflection (ATR) FTIR spectra, the same five water coordination types defined by the number of donated/accepted hydrogen bonds are present in interacting water as in bulk water. It indicates that models considering mixed states of water with different hydrogen bonding environments provide appropriate descriptions of bound water both below and above the CMT. Above the CMT, aggregate hydration increases in the order PE6400 < PE6200 < F68, although that does not fully correspond to the EO/PO ratio, and points to the differences in microstructure of aggregates formed by each copolymer. This study relates nanoscale phenomena (hydrophobic and hydrophilic hydration) with the mesoscale phenomenon of micellization. Copyright © 2010 Elsevier Inc. All rights reserved.

Dynamics of controllably induced bruises assessed by diffuse reflectance spectroscopy and pulsed photothermal radiometry

NASA Astrophysics Data System (ADS)

Marin, Ana; Milanič, Matija; Verdel, Nina; Vidovič, Luka; Majaron, Boris

2018-02-01

Combination of diffuse reflectance spectroscopy (DRS) and pulsed photothermal radiometry (PPTR) was recently successfully used to study evolution of accidental traumatic bruises. Yet, accidental bruises introduce many unknowns into the evolution analysis and thus a more controllable and repeatable approach for bruising is desired. In this study, evolution of bruises induced by aluminum projectiles of known mass and velocity were studied by DRS and PPTR. Bruises were induced on volar forearm skin of two healthy volunteers. Inverse Monte Carlo including four-layer skin model, was used to analyze the DRS and PPTR data to determine skin chromophores, their concentrations and depths. For bruise analysis, a bruise model was constructed and evolved according to hemoglobin diffusion kinetics. Bruise analysis of PPTR signals yielded bruise evolution parameters, most importantly hemoglobin diffusion constant, hemoglobin decomposition time and blood pool depth. The study results show that chronological tracking of hemoglobin decomposition can be assessed by the combined DRS and PPTR technique on induced bruise. Parameters of individual bruises were compared and two trends in chronological behavior of hemoglobin decomposition time discerned. Changes in bruise diffuse reflectance spectra were noted. Induced bruise parameters, however, still showed some scatter and thus further research is needed to reduce bruise variability.

Microstructures as IR-sensors with Staphylococcus aureus bacteria

NASA Astrophysics Data System (ADS)

Baikova, T. V.; Danilov, P. A.; Gonchukov, S. A.; Yermachenko, V. M.; Ionin, A. A.; Khmelnitskii, R. A.; Kudryashov, S. I.; Nguyen, T. T. H.; Rudenko, A. A.; Saraeva, I. N.; Svistunova, T. S.; Zayarny, D. A.

2017-09-01

Using a micro-hole grating in a supported silver film as a laser-fabricated novel optical platform for surface-enhanced IR absoprtion/reflection spectroscopy, characteristic absorption bands of Staphylococcus aureus, especially - its buried carotenoid fragments - were detected in FT-IR spectra with 10-fold analytical enhancement, paving the way to spectral express-identification of the pathogenic microorganisms.

Non-destructive Techniques for Classifying Aircraft Coating Degradation

DTIC Science & Technology

2015-03-26

model is bidirectional reflectance distribution func- tions ( BRDF ) which describes how much radiation is reflected for each solid angle and each...incident angle. An intermediate model between ideal reflectors and BRDF is to assume all reflectance is a combination of diffuse and specular reflectance...19 K-Fold Cross Validation

Compression-cuticle relationship of seed ferns: Insights from liquid-solid states FTIR (Late Palaeozoic-Early Mesozoic, Canada-Spain-Argentina)

USGS Publications Warehouse

Zodrow, E.L.; D'Angelo, J. A.; Mastalerz, Maria; Keefe, D.

2009-01-01

Cuticles have been macerated from suitably preserved compressed fossil foliage by Schulze's process for the past 150 years, whereas the physical-biochemical relationship between the "coalified layer" with preserved cuticle as a unit has hardly been investigated, although they provide complementary information. This relationship is conceptualized by an analogue model of the anatomy of an extant leaf: "vitrinite (mesophyll) + cuticle (biomacropolymer) = compression". Alkaline solutions from Schulze's process as a proxy for the vitrinite, are studied by means of liquid-solid states Fourier transform infrared spectroscopy (FTIR). In addition, cuticle-free coalified layers and fossilized cuticles of seed ferns mainly from Canada, Spain and Argentina of Late Pennsylvanian-Late Triassic age are included in the study sample. Infrared data of cuticle and alkaline solutions differ which is primarily contingent on the mesophyll +biomacropolymer characteristics. The compression records two pathways of organic matter transformation. One is the vitrinized component that reflects the diagenetic-post-diagenetic coalification history parallel with the evolution of the associated coal seam. The other is the cuticle that reflects the sum-total of evolutionary pathway of the biomacropolymer, its monomeric, or polymeric fragmentation, though factors promoting preservation include entombing clay minerals and lower pH conditions. Caution is advised when interpreting liquid-state-based FTIR data, as some IR signals may have resulted from the interaction of Schulze's process with the cuticular biochemistry. A biochemical-study course for taphonomy is suggested, as fossilized cuticles, cuticle-free coalified layers, and compressions are responses to shared physicogeochemical factors. ?? 2009 Elsevier B.V. All rights reserved.

[Achievement of the noninvasive measurement for human blood glucose with NIR diffusion reflectance spectrum method].

PubMed

Zhang, Hong-yan; Ding, Dong; Song, Li-qiang; Gu, Lin-na; Yang, Peng; Tang, Yu-guo

2005-06-01

The noninvasive measurement of human blood glucose was achieved with NIR diffusion reflectance spectrum method. The thumb fingertip NIR diffusion reflectance spectra of six different age healthy volunteers were collected using Nexus-870 and its NIR fiber port smart accessory. The test was implemented with changing the blood glucose concentration for the limosis and satiation of every volunteer. The calibration model was set up using PLS method with the smoothing, baseline correction and first derivatives pretreatment spectrum in the 7500-8500 cm(-1) region for single volunteer, the same age combination and that of different age. When the spectrum was obtained, the actual blood glucose value of every spectrun sample was demarcated using ultraviolet spectrophotometer. The correlation between the calibration value and true value for single volunteer is better than that for the combination of volunteers, the correlative coefficients are all over 0.90471, RMSECs are all less than 0.171.