Effects of Nanoparticle Size and Morphology on IR Diffuse Reflection Spectra

Two kinds of nanopowders were studied.One is NiFe 2O 4 spherical nanopowders which have different particle sizes.Another is ZnO nanopowders including two series of spherical particles and tetrapod nanowhiskers.Through measuring the infrared diffuse reflection spectra of nanopowders,it can be found that the particle size and morphology affect the infrared diffuse reflection spectra.For the NiFe 2O 4 nanopowders the smaller the particle size,the larger the K-M value.And when the particle size is large enough,the effect of the particle size on infrared diffuse reflection spectra would disappear.For the ZnO nanopowders the effects of the particle size and morphology are more special.The effect of the particle sizes of tetrapod whisker nanopowders on infrared diffuse reflection spectra is more than that of spherical nanopowders.

Reducing current fluctuation of Cs3Bi2Br9 perovskite photodetectors for diffuse reflection imaging with wide dynamic range

Recently,the newly booming metal halide perovskites have attracted extensive attention worldwide due to their outstanding optoelectronic performance,and are expected to be ideal candidates for photodetectors(PDs).However,there is still lack of perovskite PDs-based imaging devices coming into commercialization stage,due to some practical reasons including toxicity brought by lead-based perovskites and the large light current fluctuations.In this paper,for the first time we fabricate a lead-free Cs3Bi2Br9 perovskite PD,and build a prototype of this perovskite PD-based imaging system with diffuse reflection imaging mode.Moreover,we propose a new parameter F related to light current fluctuation to evaluate imaging performance of a PD especially for weak diffuse light condition,and prove its usability by comparison of unoptimized lead-free Cs3Bi2Br9 perovskite PD and atomic layer deposition(ALD)optimized Cs3Bi2 Br9 PD.ALD-optimization can improve the quality of perovskite film and suppress the dark current and current fluctuation.Finally,we obtain satisfactory diffuse reflection images of 2D and 3D objects with wide dynamic range.Therefore,the ALD-optimized Cs3Bi2Br9PD has addressed two major concerns about perovskite PDs-based imaging devices,that may extend application of perovskite materials and improve imaging quality.

A computer simulation model for room sound field considering diffuse reflection

A multiple random ray tracing model was developed for predicting the distribution of sound pressure levels in an enclosed space of any shape. This model considered two diffuse factors of a room:diffuse reflection due to room surfaces and scattering due to objects. The surface diffusion was treated by two different methods on the basis of probability analysis, and the scattering was simulated by a multiple random ray tracing process. Thus the sound pressure level distribution in a diffuse sound filed can be calculated more precisely.

Detection of Natural and Synthetic Emerald by Using Infrared Spectroscopy–ATR,Specular Reflection,Transflectance and Diffuse Reflectance Techniques

Emerald is a green(Cr-bearing)variety of beryl.It has also been one of the highest value and highly demanded gemstones in the world.For this reason,the methods for synthesis emerald(i.e.,hydrothermal,flux grown)have been constantly developed.In many cases,it is hard to distinguish the natural emerald from the synthetic one using the basic instruments.Therefore,with the advantage of non-destructive technique,the infrared spectroscopy has been efficiently applied for the task.In this study,to find the potential technique in FTIR spectroscopy for classifying between natural and synthetic emerald(hydrothermal and flux-grown),the observed spectra from the Attenuated Total Reflectance Radiation(ATR),Diffuse Reflectance(DRIFT),transflectance,and specular reflection techniques were compared.The result showed that the spectra obtained from the transflectance and the DRIFT techniques were similar with equal spectral qualities.Unlike the diffuse reflectance spectra,the transflectance spectra were not affected by the sample orientations.The spectral features associated with water molecule in the crystal structure were clearly observed in both the DRIFT and transflectance spectra.Although the spectral features associated with weak absorption bands of water were not observed in both the DRIFT and transflectance spectra,the position of strong absorption band at 3 800-3 500 cm^(-1) and 1 635 cm^(-1) could be detected in the ATR spectra.In addition,the lack of absorption of water between 4 000 and 3 400 cm^(-1) in flux-grown emerald samples is the clue to separate it from the natural and hydrothermal one.In the meantime,the absence of the strong absorption peaks between 2 300 and 1 400 cm^(-1) in hydrothermal emerald can differentiate it from the natural one.

Multi－diffused Reflection Spectroscopy of Rare Earths Doped LaOCl Powder Samples and the Calculation of Quantum Efficiency

The excitation and emission spectra, the relaxation time of principal spectral lines and multi-diffused reflection spectra in LaOCl: Er, LaOCl: Ho powder samples were measured. The diffused absorption spectrum was derived from the multi-diffused reflection spectrum. According to Judd-Ofelt theory,the intensity parameters, radiative transition probabilities and quantum efficiencies of luminescence emission were calculated. Then comparison with erbium and holmium doped floride glass and other matrices were made.

New insights in nano-copper chromite catalyzing ultrafine AP:Evaluation of dispersity and mixing uniformity

Improving the application of nanomaterials has always been a research hotspot in the field of energetic materials(EMs)due to their obvious catalytic effect on the EMs,especially the uniformly dispersed nanomaterials.However,few studies have reported the dispersion of nanomaterials.In this study,the dispersity and mixing uniformity of nano-CuCr_(2)O_(4)was evaluated based on the difference of solid UV light absorption between the nano-catalytic materials and EMs.The nano-CuCr_(2)O_(4)/ultrafine AP composites with different dispersity of nano-CuCr_(2)O_(4)were prepared by manual grinding and mechanical grinding with different grinding strength and griding time.And then,the absorbance of different samples at 212 nm was obtained by solid UV testing due to the high repeatability of the absorbance at 210-214 nm for three parallel experiments,and the dispersity of different samples was calculated through the established difference equation.Furthermore,the samples were characterized by XRD,IR,SEM,EDS,DSC and TG-MS,which confirmed that different mixing methods did not change the structure of the samples(XRD and IR),and the mixing uniformity improved with the increase of grinding strength and grinding time(SEM and EDS).The scientificity and feasibility of the difference equation were further verified by DSC.The dispersity of nano-CuCr_(2)O_(4)exhibits a positive intrinsic relationship with its catalytic performance,and the uniformly dispersed nano-CuCr_(2)O_(4)significantly reduces the thermal decomposition temperature of ultrafine AP from 367.7 to 338.8℃.The TG-MS patterns show that the dispersed nano-CuCr_(2)O_(4)advanced the thermal decomposition process of ultrafine AP by about 700 s,especially in the high temperature decomposition stage,and the more concentrated energy release characteristic is beneficial to further enhance the energy performance of AP-based propellants.The above conclusions show that the evaluation method of dispersity based on solid UV curves could provide new ideas for the dispersity characterization of nano-catalytic materials in EMs,which is expected to be widely used in the field of EMs.

Classification of Guizhou Aspidistra Plants by Near-infrared Diffuse Reflectance Spectroscopy

[Objective] This study was conducted to establish a near-infrared diffuse reflectance spectroscopy of Guizhou Aspidistra plants. [Method] Twenty three batch- es of Guizhou Aspidistra plants including A. chishuiensis, A. spinula, A. Caespitosa, A. sichuanensis, A. ebianensis, A. retusa, A. guizhouensis and A. liboensis were subjected to drying, pulverization and sieving and then directly determined for near- infrared reflectance spectrums; and the plants in this genus were classified by clus- ter analysis and principal component analysis （PCA）. [Result] The near-infrared re- flectance spectrums of the 23 batches of Guizhou Aspidistra plants showed very high similarity. The spectrums were processed by first derivative method, and the spectral range of 4 000-7 500 cm-1 was selected as the analytical range. Cluster analysis and PCA were employed to mass spectrum variables of plants in Aspidis- tra, fewer new variables became the linear combination of primary variables, and small differences between different varieties were enlarged, thereby facilitating intu- itive classification of plants in this genus. [Conclusion] Near-infrared diffuse re- flectance spectroscopy is nondestructive and rapid for determination of solid sam- pies, and provides a new method for the classification of Guizhou Aspidistra plants combined by information processing techniques.

The Study of Using Near-infrared Diffuse Reflectance Spectroscopy Rapid Identify Wheat Drought Resistance-Ⅱ

[Objective] The aim was to build an evaluation method rapidly identifying wheat drought tolerance with near infrared diffuse reflectance spectroscopy. [Method] In the research, 36 wheat varieties in 2007-2009 were chosen and drought-tolerance degrees of wheat were graded and identified according to Winter-wheat Drought Tol- erance Evaluation Technical Standards （GB/T 21127-2007）, and harvest wheat grains underwent spectrum collection, with a full-spectrum analyzer, to establish a database. [Result] Based on qualitative analysis and full-spectrum correlation research, the coef- ficient of determination （RSQ） and cross-validation coefficient of determination （1-VR） were concluded at 0.697 5 and 0.600 2, showing near-infrared diffuse reflectance spectroscopy is of significant differences among wheat varieties and of significant or extremely significant correlation with drought-tolerance indices. [Conclusion] The re- search indicates that to evaluate drought-tolerance of wheat with near-infrared diffuse reflectance spectroscopy is a rapid and feasible way, which is simple, convenient without damages on grains, and of practical values for construction wheat drought-tol- erance evaluation index system and identification of breeding materials.

Supercritical water syntheses of transition metal-doped CeO_2 nano-catalysts for selective catalytic reduction of NO by CO:An in situ diffuse reflectance Fourier transform infrared spectroscopy study

In the present study,we synthesized CeO2 catalysts doped with various transition metals(M=Co,Fe,or Cu)using a supercritical water hydrothermal route,which led to the incorporation of the metal ions in the CeO2 lattice,forming solid solutions.The catalysts were then used for the selective catalytic reduction(SCR)of NO by CO.The Cu‐doped catalyst exhibited the highest SCR activity;it had a T50(i.e.,50%NO conversion)of only 83°C and a T90(i.e.,90%NO conversion)of 126°C.Such an activity was also higher than in many state‐of‐the‐art catalysts.In situ diffuse reflectance Fourier transform infrared spectroscopy suggested that the MOx‐CeO2 catalysts(M=Co and Fe)mainly followed an Eley‐Rideal reaction mechanism for CO‐SCR.In contrast,a Langmuir‐Hinshelwood SCR reaction mechanism occurred in CuO‐CeO2 owing to the presence of Cu+species,which ensured effective adsorption of CO.This explains why CuO‐CeO2 exhibited the highest activity with regard to the SCR of NO by CO.

Application of Near Infrared Diffuse Reflectance Spectroscopy with Radial Basis Function Neural Network to Determination of Rifampincin Isoniazid and Pyrazinamide Tablets

Partial least squares（PLS）,back-propagation neural network（BPNN）and radial basis function neural network（RBFNN）were respectively used for estalishing quantative analysis models with near infrared（NIR）diffuse reflectance spectra for determining the contents of rifampincin（RMP）,isoniazid（INH）and pyrazinamide（PZA）in rifampicin isoniazid and pyrazinamide tablets.Savitzky-Golay smoothing,first derivative,second derivative,fast Fourier transform（FFT）and standard normal variate（SNV）transformation methods were applied to pretreating raw NIR diffuse reflectance spectra.The raw and pretreated spectra were divided into several regions,depending on the average spectrum and RSD spectrum.Principal component analysis（PCA）method was used for analyzing the raw and pretreated spectra in different regions in order to reduce the dimensions of input data.The optimum spectral regions and the models＇ parameters were chosen by comparing the root mean square error of cross-validation（RMSECV）values which were obtained by leave-one-out cross-validation method.The RMSECV values of the RBFNN models for determining the contents of RMP,INH and PZA were 0.00288,0.00226 and 0.00341,respectively.Using these models for predicting the contents of INH,RMP and PZA in prediction set,the RMSEP values were 0.00266,0.00227 and 0.00411,respectively.These results are better than those obtained from PLS models and BPNN models.With additional advantages of fast calculation speed and less dependence on the initial conditions,RBFNN is a suitable tool to model complex systems.

Rapid Identification for Drought Resistance of Wheat Using Near-infrared Diffuse Reflectance Spectroscopy

[Objective] This study aimed to establish an identification system for drought-resistance in wheat by using near-infrared diffuse reflectance spectroscopy. [Method] In 2006-2007, 36 wheat varieties with different drought resistance were selected and were classified according to their drought resistance grades determined by the Technical Specification of Identification and Evaluation for Drought Resistance in Wheat （GB/T 21127-2007）. In addition, the harvested wheat seed samples were spectrally analyzed with FOSS NIRSystems5000 near-infrared spectrum analyzer for grain quality （full spectrum analyzer） and then the forecasted regression equations were established. [Result] After the establishment of a database and validation, dis- criminated functions were obtained. The determination coefficient （RSQ） and coeffi- cients of determination for cross validation （1-VR） in the discriminant function built with seed samples from water stress area were 0.846 0 and 0.781 8, respectively, which indicated that the consistency between drought resistance and spectral charac- teristics in wheat varieties was good, and there was high correlation between the near-infrared diffuse reflectance spectra of seeds and the drought resistance in wheat. [Conclusiou] Under water stress condition, it is feasible to establish a conve- nient, rapid and no-damage identification system for the drought resistance in wheat by using the near-infrared diffuse reflectance spectrum technique to scan wheat seeds.

Synthesis and Diffuse Reflectance Spectrum of Open－framework Cobalt Phosphate DAF－2 From Alcoholic System

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REAL-TIME OPTICAL MONITORING OF CAPILLARY GRID SPATIAL PATTERN IN EPITHELIUM BY SPATIALLY RESOLVED DIFFUSE REFLECTANCE PROBE

We developed a novel method for real-time monitoring of alteration of the local epithelium vessel/capillary and blood oxygenation spatial pattern in epithelium exploiting a compact fibre sensor system based on spatially and spectrally resolved diffuse reflectance.The method is based on collection of spatially resolved diffuse reflectance Re(λ)by fiber sensors.The spatial resolution is provided as a dependence of Re(λ)on a set of distancesρbetween the source and detector(attenuation curve).It is expected that the new method can reasonably extract the minor spatial deviations of oxygenation and local blood volume fraction-parameters,directly related to the local vessel density and capillary spatial patterns in the epithelium.Light scattering in visible range is naturally taken into account in the proposed method.

Monitoring real time polymorphic transformation of sulfanilamide by diffuse reflectance visible spectroscopy

This study investigated the development of a novel approach to surface characterization of drug poly- morphism and the extension of the capabilities of this method to perform ＇real time＇ in situ measure- ments. This was achieved using diffuse reflectance visible （DRV） spectroscopy and dye deposition, using the pH sensitive dye, thymol blue （TB）. Two polymorphs, SFN-β and SFN-γ, of the drug substance sulfanilamide （SFN） were examined. The interaction of adsorbed dye with polymorphs showed different behavior, and thus reported different DRV spectra. Consideration of the acid/base properties of the morphological forms of the drug molecule provided a rationalization of the mechanism of differential coloration by indicator dyes. The kinetics of the polymorphic transformation of SFN polymorphs was monitored using treatment with TB dye and DRV spectroscopy. The thermally-induced transformation fitted a first-order solid-state kinetic model （R2=0.992）, giving a rate constant of 2.43 × 10^- 2 s 1.

Fluorescence Effect of SrAl_2O_4∶Eu and Diffuse Reflectivity of SrAl_2O_4∶Eu Based Ceramics

SrAl 2O 4∶Eu was adopted as main phase to prepare the ceramic pumping cavity material with ultraviolet(UV) converting function in order to match with laser absorption spectra. The relationship between SrAl 2O 4∶Eu powder processing and fluorescence effect was studied. The glass material with lower refractive index was added to the SrAl 2O 4∶Eu based ceramics. The diffusive reflectivity and the influence of fluorescence effect on reflection spectra of the ceramics were investigated. Some experimental results can be used for evaluating technical feasibility of the SrAl 2O 4∶Eu based ceramics used for laser reflectors.

RAPID DETERMINATION OF PROTEIN IN MILLET BY FOURIER TRANSFORM NEAR-INFRARED(FTNIR)DIFFUSE REFLECTANCE SPECTROSCOPY

In this paper,the Fourier transform near-infrared(FTNIR)diffuse reflectance spectroscopy is applied for the rapid determination of protein in millet.The partial least-squares(PLS)regression is successfully used as an effective multivariate calibration technique.The calibration set is composed of 20 standard millet samples that the protein contents were determined by the traditional Kjeldahl method.The optimal model dimension is found to be 5 by cross-validation.22 millet samples were determined by the proposed FTNIR-PLS method.The correlation coefficient between the concentration values obtained by the FTNIR-PLS method and the traditional Kjeldahl method is 0.9805.The standard error of prediction(SEP)is 0.28% and the mean recovery is 100.2%.The proposed method has been successfully applied for the routine analysis of protein in about 10,000 grain samples.

Determination of the Deep Optical Properties of Healthy and Diseased Skin Using Diffuse Reflectance Spectroscopy

In this study, we focused on diffuse reflectance spectroscopy, a rapid and noninvasive spectroscopy technique that has considerable potential for medical diagnosis. In order to better understand and analyze the signals induced by this method, we performed a series of in vivo measurements on healthy and diseased skin. Measurement sites on a human hand and feet were chosen. Some preliminary results obtained on these sites show the feasibility of this technique in clinics.

Construction of universal quantitative models for the determination of cefoperazone sodium/sulbactam sodium for injection from different manufacturers using near-infrared reflectance spectroscopy

To develop near-infrared （NIR） reflectance spectroscopic methods for the quantitative analysis of cefoperazone sodium/ sulbactam sodium from different manufacturers for injection powder medicaments. Various powders of cefoperazone sodium/ sulbactam sodium were directly analyzed by non-destructive NIR reflectance spectroscopy using the spectrometer EQUINOX55. Two quantitative methods via integrating sphere （IS） and fiberoptic probe （FOP） models were explored from 6 batches of commercial samples and 42 batches of laboratory samples at a content ranging from 30% to 70% for cefoperazone and 60% to 20% for sulbactam. The root mean square errors of cross validation （RMSECV） and the root mean square errors of prediction （RMSEP） of IS were 1.79% and 2.85%, respectively, for cefoperazone sodium, and were 1.86% and 3.08%, respectively, for sulbactam sodium; and those of FOP were 2.93% and 2.92%, respectively, for cefoperazone sodium, and were 2.23% and 3.01%, respectively, for sulbactam sodium. Based on the ICH guidelines and Ref. 12, the quantitative models were then evaluated in terms of specificity, linearity, accuracy, precision, robustness and model transferability. The non-destructive quantitative NIR methods used in this study are applicable for rapid analysis of injectable powdered drugs from different manufacturers.

Resistance to SO_2 poisoning of V_2O_5/TiO_2-PILC catalyst for the selective catalytic reduction of NO by NH_3

A titania pillared interlayered clay（Ti-PILC） supported vanadia catalyst（V2O5/TiO2-PILC） was prepared by wet impregnation for the selective catalytic reduction（SCR） of NO with ammonia. Compared to the traditional V2O5/TiO2 and V2O5-MoO3/TiO2 catalysts, the V2O5/TiO2-PILC catalyst exhibited a higher activity and better SO2 and H2O resistance in the NH3-SCR reaction. Characterization using TPD, in situ DRIFT and XPS showed that surface sulfate and/or sulfite species and ionic SO4^（2-）species were formed on the catalyst in the presence of SO2. The ionic SO4^（2-） species on the catalyst surface was one reason for deactivation of the catalyst in SCR. The formation of the ionic SO4^（2-） species was correlated with the amount of surface adsorbed oxygen species. Less adsorbed oxygen species gave less ionic SO4^（2-） species on the catalyst.

Enhanced plasmonic photocatalysis by SiO_2@Bi microspheres with hot-electron transportation channels via Bi–O–Si linkages

The semimetal Bi has received increasing interest as an alternative to noble metals for use in plasmonic photocatalysis. To enhance the photocatalytic efficiency of metallic Bi, Bi microspheres modified by SiO2 nanoparticles were fabricated by a facile method. Bi-O-Si bonds were formed between Bi and SiO2, and acted as a transportation channel for hot electrons. The SiO2@Bi microspheres exhibited an enhanced plasmon-mediated photocatalytic activity for the removal of NO in air under 280 nm light irradiation, as a result of the enlarged specific surface areas and the promotion of electron transfer via the Bi-O-Si bonds. The reaction mechanism of photocatalytic oxidation of NO by SiO2@Bi was revealed with electron spin resonance and in situ diffuse reflectance infrared Fourier transform spectroscopy experiments, and involved the chain reaction NO -> NO2 -> NO3- with center dot OH and center dot O-2(-) radicals as the main reactive species. The present work could provide new insights into the in-depth mechanistic understanding of Bi plasmonic photocatalysis and the design of high-performance Bi-based photocatalysts. (C) 2017, Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.