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Classification of Guizhou Aspidistra Plants by Near-infrared Diffuse Reflectance Spectroscopy 被引量:1
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作者 高永跃 何顺志 徐文芬 《Agricultural Science & Technology》 CAS 2017年第4期575-578,590,共5页
[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, ... [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. 展开更多
关键词 Guizhou Aspidistra plants near-infrared diffuse reflectance spectroscopy CLASSIFICATION
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Rapid Identification for Drought Resistance of Wheat Using Near-infrared Diffuse Reflectance Spectroscopy 被引量:3
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作者 冯伟森 吴少辉 +7 位作者 谷运红 张园 高海涛 王卫东 张灵帅 张学品 马飞 张灿军 《Agricultural Science & Technology》 CAS 2012年第12期2615-2619,共5页
[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 drou... [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. 展开更多
关键词 near-infrared diffuse reflectance spectroscopy Identification for wheat drought resistance Discriminant function
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The Study of Using Near-infrared Diffuse Reflectance Spectroscopy Rapid Identify Wheat Drought Resistance-Ⅱ 被引量:2
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作者 吴少辉 冯伟森 +5 位作者 谷运红 焦珍 张学品 杨洪强 王卫东 张灿军 《Agricultural Science & Technology》 CAS 2013年第10期1507-1512,共6页
[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 cho... [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. 展开更多
关键词 Near infrared diffuse reflectance spectroscopy of wheat drought resis- tance screening index
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Titanium dioxide as an adsorbent to enhance the detection ability of near-infrared diffuse reflectance spectroscopy 被引量:4
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作者 Shuyu Wang Jin Zhang +1 位作者 Wensheng Cai Xueguang Shao 《Chinese Chemical Letters》 SCIE CAS CSCD 2019年第5期1024-1026,共3页
A method for quantitative determination of fish sperm deoxyribonucleic acid(fsDNA)was developed by using titanium dioxide(TiO2)as an adsorbent and near-infrared diffuse reflectance spectroscopy(NIRDRS).The selective e... A method for quantitative determination of fish sperm deoxyribonucleic acid(fsDNA)was developed by using titanium dioxide(TiO2)as an adsorbent and near-infrared diffuse reflectance spectroscopy(NIRDRS).The selective enrichment of fsDNA was proved by comparing the adsorption efficiency of bovine serum albumin,tyrosine and tryptophan,and the low adsorption background of TiO2 was illustrated by comparing the spectra of four commonly-used inorganic adsorbents(alkaline aluminium oxide,neutral aluminium oxide,nano-hydroxyapatite and silica).The spectral feature of fsDNA can be clearly observed in the spectrum of the sample.Partial least squares(PLS)model was built for quantitative determination of fsDNA using 28 solutions,and 13 solutions with interferences were used for validation of the model.The results showed that the correlation coefficient(R)between the predicted and the reference concentration is 0.9727 and the recoveries of the validation samples are in the range of 98.2%-100.7%. 展开更多
关键词 near-infrared diffuse reflectance spectroscopy Quantitative model DETECTION ABILITY Titanium dioxide Fish SPERM DNA
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Determination of triglycerides in human serum by near-infrared diffuse reflectance spectroscopy using silver mirror as a substrate 被引量:1
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作者 Shuyu Wang Jin Zhang +3 位作者 Cuicui Wang Xiaoming Yu Wensheng Cai Xueguang Shao 《Chinese Chemical Letters》 SCIE CAS CSCD 2019年第1期111-114,共4页
Near infrared diffuse reflectance spectroscopy(NIRDRS) has gained wide attention due to its convenience for rapid quantitative analysis of complex samples. A method for rapid analysis of triglycerides in human serum u... Near infrared diffuse reflectance spectroscopy(NIRDRS) has gained wide attention due to its convenience for rapid quantitative analysis of complex samples. A method for rapid analysis of triglycerides in human serum using NIRDRS with silver mirror as the substrate is developed. Due to the even and high reflectance of the silver mirror, the spectral response is enhanced and the background interference is reduced.Furthermore, both linear and nonlinear modeling strategies were investigated adopting the partial least squares(PLS) and least squares support vector regression(LS-SVR), continuous wavelet transform(CWT)was used for spectral preprocessing, and variable selection was tried using Monte Carlo uninformative variable elimination(MC-UVE), randomization test(RT) and competitive adaptive reweighted sampling(CARS) for optimization the models. The results show that the determination coefficient(R) between the predicted and reference concentration is 0.9624 and the root mean squared error of prediction(RMSEP) is 0.21. The maximum deviation of the prediction results is as low as 0.473 mmol/L. The proposed method may provide an alternative method for routine analysis of serum triglycerides in clinical applications. 展开更多
关键词 near-infrared diffuse reflectance spectroscopy SILVER MIRROR Variable selection Quantitative model SERUM TRIGLYCERIDES
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Determination of Cysteine Using Near-infrared Diffuse Reflectance Spectroscopy with Enrichment via Thiol-maleimide Click Reaction 被引量:1
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作者 WANG Cuicui CAI Wensheng SHAO Xueguang 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2016年第6期912-916,共5页
Enrichment technique has been proved to be an efficient way to make the near-infrared diffuse reflectancespectroscopy(NIRDRS) suitable for micro analysis. However, low selectivity presented by conventional enrichmen... Enrichment technique has been proved to be an efficient way to make the near-infrared diffuse reflectancespectroscopy(NIRDRS) suitable for micro analysis. However, low selectivity presented by conventional enrichmentmethods makes the quantitative analysis easy to be affected by the coexisting components. In this study, a specificenrichment method with chemical bonding via thiol-maleimide click reaction was used to achieve the reduction of theinterferences. Taking cysteine as the analyzing target, maleimide-functionalized SiO2 nanoparticles were prepared forthe enrichment of cysteine. Then determination of cysteine in aqueous solution and human serum was studied usingthe partial least squares model built from the NIRDRS spectra of the adsorbate. The results show that the concentra-tion that can be quantitatively detected is as low as 2.0 μg/mL, and the correlation coefficient(R) between thereference and predicted concentration is 0.9871 for the validation samples. The recoveries are in the range of89.5%-113.8% for human serum samples in the concentration range of 0--16.2 μg/mL. 展开更多
关键词 near-infrared diffuse reflectance spectroscopy CLICK reaction CYSTEINE Multivariate calibration Humanserum
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RAPID DETERMINATION OF PROTEIN IN MILLET BY FOURIER TRANSFORM NEAR-INFRARED(FTNIR)DIFFUSE REFLECTANCE SPECTROSCOPY
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作者 Le Ming SHI Zhi Hong XU Zhong Xiao PAN Zhi Liang LI Laboratory of Computer Chemistry,Institute of Chemical Metallurgy,Chinese Academy of Sciences,Beijing 100080 Yan Lu YAN Mao JIN Central Laboratory,Beijing Agricultural University,Beijing 100094 《Chinese Chemical Letters》 SCIE CAS CSCD 1990年第3期247-250,共4页
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 ... 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. 展开更多
关键词 PLS NIR FTNIR)diffuse reflectance spectroscopy RAPID DETERMINATION OF PROTEIN IN MILLET BY FOURIER TRANSFORM near-infrared
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Rapid, Non-Destructive, Textile Classification Using SIMCA on Diffuse Near-Infrared Reflectance Spectra 被引量:2
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作者 Christopher B. Davis Kenneth W. Busch +2 位作者 Dennis H. Rabbe Marianna A. Busch Judith R. Lusk 《Journal of Modern Physics》 2015年第6期711-718,共8页
Soft independent modeling of class analogy (SIMCA) was successful in classifying a large library of 758 commercially available, non-blended samples of acetate, cotton, polyester, rayon, silk and wool 89% - 98% of the ... Soft independent modeling of class analogy (SIMCA) was successful in classifying a large library of 758 commercially available, non-blended samples of acetate, cotton, polyester, rayon, silk and wool 89% - 98% of the time at the 95% confidence level (p = 0.05 significance level). In the present study, cotton and silk had a 62% and 24% chance, respectively, of being classified with their own group and also with rayon. SIMCA correctly identified a counterfeit “silk” sample as polyester. When coupled with diffuse NIR reflectance spectroscopy and a large sample library, SIMCA shows considerable promise as a quick, non-destructive, multivariate method for fiber identification. A major advantage is simplicity. No sample pretreatment of any kind was required, and no adjust-ments were made for fiber origin, manufacturing process residues, topical finishes, weave pattern, or dye content. Increasing the sample library should make the models more robust and improve identification rates over those reported in this paper. 展开更多
关键词 diffuse near-infrared (NIR) reflectance spectroscopy CHEMOMETRICS Soft Independent Modeling of Class ANALOGY (SIMCA) Pattern Recognition TEXTILE Identification Multivariate Analysis
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Construction of universal quantitative models for the determination of cefoperazone sodium/sulbactam sodium for injection from different manufacturers using near-infrared reflectance spectroscopy 被引量:4
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作者 逄焕欢 冯艳春 +1 位作者 张学博 胡昌勤 《Journal of Chinese Pharmaceutical Sciences》 CAS 2008年第1期22-29,共8页
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 ... 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. 展开更多
关键词 NIR diffuse reflectance spectroscopy Non-destructive determination Cefoperazone sodium/sulbactam sodium Injection powder medicament Validation Counterfeit medicine
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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 被引量:12
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作者 Xiaoxia Dai Weiyu Jiang +4 位作者 Wanglong Wang Xiaole Weng Yuan Shang Yehui Xue Zhongbiao Wu 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2018年第4期728-735,共8页
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... 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. 展开更多
关键词 Supercritical water Nitrogen oxides CO Selective catalytic reduction diffuse reflectance Fourier transform infrared spectroscopy CEO2
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Application of Near Infrared Diffuse Reflectance Spectroscopy with Radial Basis Function Neural Network to Determination of Rifampincin Isoniazid and Pyrazinamide Tablets 被引量:3
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作者 DU Lin-na WU Li-hang +5 位作者 LU Jia-hui GUO Wei-liang MENG Qing-fan JIANG Chao-jun SHEN Si-le TENG Li-rong 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2007年第5期518-523,共6页
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 r... 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. 展开更多
关键词 Rifampicin isoniazid and pyrazinamide tablets NIR diffuse reflectance spectroscopy Partial least square Back-propagation neural network Radial basis function neural network
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Use of near-infrared reflectance spectroscopy for the rapid determination of the digestible energy and metabolizable energy content of corn fed to growing pigs 被引量:4
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作者 Juntao Li Quanfeng Li +4 位作者 Defa Li Yiqiang Chen Xiaoxiao Wang Wenjun Yang Liying Zhang 《Journal of Animal Science and Biotechnology》 SCIE CAS CSCD 2017年第1期161-169,共9页
Background: The ability of near-infrared reflectance spectroscopy(NIRS) to determine the digestible energy(DE)and metabolizable energy(ME) content of corn fed to growing pigs was tested. One hundred and sevente... Background: The ability of near-infrared reflectance spectroscopy(NIRS) to determine the digestible energy(DE)and metabolizable energy(ME) content of corn fed to growing pigs was tested. One hundred and seventeen corn samples, comprising different planting regions and varieties were collected from all over China in a three-year period. The samples were randomly split into a calibration set(n = 88) and a validation set(n = 29). The actual and calculated DE and ME content of the corn samples was determined by digestion-metabolism experiments and the prediction equations of Noblet and Perez(J Anim Sci. 71:3389–98,1993). The samples were then subjected to NIRS scanning and calibrations were performed by the modified partial least square(MPLS) regression method based on77 different spectral pre-treatments. The NIRS equations based on the actually determined and calculated DE and ME were built separately and then validated using validation samples.Results: The NIRS equations obtained from actually determined DE, the coefficient of determination for calibration(RSQcal), cross-validation(R^2CV), and validation(RSQv) were 0.89, 0.87 and 0.86, and these values for determined ME were 0.87, 0.86 and 0.86. For the NIRS equations built from calculated DE, the RSQcal, R^2CV, and RSQvvalues were 0.88, 0.85 and 0.84, and these values for calculated ME were 0.86, 0.84 and 0.82. Except for the equation based on calculated ME(RPD_v= 2.38, 〈 2.50), the other three equations built from actually determined energy and calculated DE produced good prediction performance(RPD_vranging from 2.53 to 2.69, 〉 2.50) when applied to validation samples.Conclusion: These results indicate that NIRS can be used as a quantitative method for the rapid determination of the available energy in corn fed to growing pigs, and the NIRS equations based on the actually determined energy produced better predictive performance than those built from calculated energy values. 展开更多
关键词 Corn Digestible energy Growing pigs Metabolizable energy near-infrared reflectance spectroscopy
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Application of Short-wave Near-infrared Reflectance Spectroscopy in Controlling Extract of Fructus Cnidii Using Supercritical Carbon Dioxide 被引量:1
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作者 MI Hong GUO Ye +4 位作者 LI Wen-liang Qu Nan DOU Ying REN Yu-qiu REN Yu-lin 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2007年第1期116-119,共4页
Fructus cnidii (Chinese name shechuangzi) is the fruit produced by Cnidium monnieri (L.) Cusson (Umbelliferae). It is a perennial herb that is used to treat skin-related diseases and gynecopathyell. Recent pharm... Fructus cnidii (Chinese name shechuangzi) is the fruit produced by Cnidium monnieri (L.) Cusson (Umbelliferae). It is a perennial herb that is used to treat skin-related diseases and gynecopathyell. Recent pharmacological studies have revealed crude extracts or components isolated from fructus cnidii possess antiallergic, antipruritic, antidermatophytic, antibacterial, antifungal, and antiosteoporotic activities. Osthole and imperatorin are the major compounds present in shechuangzi. They are often used as standards for the evaluation of the quality of shechuangzi products. 展开更多
关键词 Fructus cnidii Supercfitical carbon dioxide Short-wave near-infrared diffuse reflectance spectrum Artificial neural network Degree of approximation
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Geographic Classification of Chinese Grape Wines by Near-Infrared Reflectance Spectroscopy 被引量:1
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作者 赵芳 赵育 +1 位作者 毛文华 战吉宬 《Journal of Donghua University(English Edition)》 EI CAS 2012年第1期40-45,共6页
Near-infrared reflectance spectroscopy (NIRS) was applied to classify grape wines of different geographical origins (Changli, Huailai, and Yantai, China). Near infrared (NIR) spectra were collected in transmission mod... Near-infrared reflectance spectroscopy (NIRS) was applied to classify grape wines of different geographical origins (Changli, Huailai, and Yantai, China). Near infrared (NIR) spectra were collected in transmission mode in the wavelength range of 800-2500 nm. Wines (n=90) were randomly split into two sets, calibration set (n=54) and validation set (n=36). Discriminant analysis models were developed using BP neural network and discriminant partial least-squares discriminant analysis (PLS-DA). The prediction performance of calibration models in different wavelength range was also investigated. BP neural network models and PLS-DA models correctly classified 100% of the wines in calibration set. When used to predict wines in validation set, BP neural network models correctly classified 100%, 81.8%, and 90.9% of the wines from Changli, Huailai, and Yantai respectively, and PLS-DA models correctly classified 100% of all samples. The results demonstrated that NIRS could be used to discriminate Chinese grape wines as a rapid and reliable method. 展开更多
关键词 near-infrared reflectance spectroscopy (NIRS) Chinese grape wines discriminant analysis models BP neural network PLS-DA
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Monitoring real time polymorphic transformation of sulfanilamide by diffuse reflectance visible spectroscopy
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作者 Tracy O.Ehiwe Bruce D.Alexander +2 位作者 John C.Mitchell Martin J.Snowden Laura J.Waters 《Journal of Pharmaceutical Analysis》 SCIE CAS 2016年第3期179-183,共5页
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... 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. 展开更多
关键词 Polymorphic transformation SULFANILAMIDE diffuse reflectance visible spectroscopy Powder X-ray diffraction Differential scanning calorimetry
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Changes in diffuse reflectance spectroscopy properties of hematite in sediments from the North Pacific Ocean and implications for eolian dust evolution history
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作者 Qiang Zhang QingSong Liu 《Earth and Planetary Physics》 2018年第4期342-350,共9页
Eolian dust preserved in deep-sea sediments of the North Pacific Ocean(NPO) is an important recorder of paleoclimatic and paleoenvironmental changes in the Asian inland. To better understand changes in the dust proven... Eolian dust preserved in deep-sea sediments of the North Pacific Ocean(NPO) is an important recorder of paleoclimatic and paleoenvironmental changes in the Asian inland. To better understand changes in the dust provenances, in this study diffuse reflectance spectroscopy(DRS) was used to extract the eolian signal recorded in sediments of ODP Hole 885 A recovered from the NPO. First, we systematically investigated sieving effects on the DRS data; then band positions of hematite(obtained from the second order derivative curves of the K-M remission function spectrum derived from the DRS) were used to distinguish different provenances of the eolian dust preserved in the pelagic sediments of this hole. Our results show that the sieving(38 μm) process can suppress effectively the experimental errors. Eolian signatures from Chinese Loess Plateau(CLP) sources and non-CLP-sources have been identified in the pelagic sediments of ODP Hole 885 A from the late Pliocene to the early Pleistocene. The provenance differences account for the discrepancies in the eolian records recovered from the pelagic sediments in the NPO and profiles in the CLP. Temporal changes in dust provenances are caused by the latitudinal movement of the westerly jet mainstream. The hematite DRS band position is a useful tool to distinguish the provenance of eolian components preserved in pelagic sediments. 展开更多
关键词 EOLIAN DUST diffuse reflectance spectroscopy HEMATITE
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Determination of the Deep Optical Properties of Healthy and Diseased Skin Using Diffuse Reflectance Spectroscopy
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作者 Didier K. Yable Laurent Canale +3 位作者 Théodore Cissé Haba Pascal Dupuis Georges Zissis Zoueu T. Jérémie 《Optics and Photonics Journal》 CAS 2022年第8期191-199,共9页
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 signal... 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. 展开更多
关键词 diffuse reflectance spectroscopy Human Skin Optical Properties LESION SIGNAL
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Near-infrared spectroscopy method for rapid proximate quantitative analysis of nutrient composition in Pacific oyster Crassostrea gigas 被引量:1
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作者 Zhe LI Haigang QI +4 位作者 Ying YU Cong LIU Rihao CONG Li LI Guofan ZHANG 《Journal of Oceanology and Limnology》 SCIE CAS CSCD 2023年第1期342-351,共10页
Glycogen,amino acids,fatty acids,and other nutrient components affect the flavor and nutritional quality of oysters.Methods based on near-infrared reflectance spectroscopy(NIRS)were developed to rapidly and proximatel... Glycogen,amino acids,fatty acids,and other nutrient components affect the flavor and nutritional quality of oysters.Methods based on near-infrared reflectance spectroscopy(NIRS)were developed to rapidly and proximately determine the nutrient content of the Pacific oyster Crassostreagigas.Samples of C.gigas from 19 costal sites were freeze-dried,ground,and scanned for spectral data collection using a Fourier transform NIR spectrometer(Thermo Fisher Scientific).NIRS models of glycogen and other nutrients were established using partial least squares,multiplication scattering correction first-order derivation,and Norris smoothing.The R_(C) values of the glycogen,fatty acids,amino acids,and taurine NIRS models were 0.9678,0.9312,0.9132,and 0.8928,respectively,and the residual prediction deviation(RPD)values of these components were 3.15,2.16,3.11,and 1.59,respectively,indicating a high correlation between the predicted and observed values,and that the models can be used in practice.The models were used to evaluate the nutrient compositions of 1278 oyster samples.Glycogen content was found to be positively correlated with fatty acids and negatively correlated with amino acids.The glycogen,amino acid,and taurine levels of C.gigas cultured in the subtidal and intertidal zones were also significantly different.This study suggests that C.gigas NIRS models can be a cost-effective alternative to traditional methods for the rapid and proximate analysis of various slaughter traits and may also contribute to future genetic and breeding-related studies in Pacific oysters. 展开更多
关键词 Pacific oyster Crassostrea gigas near-infrared reflectance spectroscopy(NIRS) nutrient composition rapid determination
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Synthesis and Diffuse Reflectance Spectrum of Open-framework Cobalt Phosphate DAF-2 From Alcoholic System 被引量:1
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作者 YU Ji-hong CHEN Jie-sheng and XU Ru-ren(Key Laboratory of Inorganic Hydrothermal Synthesis,Department of Chemistry,Jilin University,Changchun,130023) 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 1996年第4期390-392,共3页
SynthesisandDiffuseReflectanceSpectrumofOpen-frameworkCobaltPhosphateDAF-2FromAlcoholicSystemYUJi-hong;CHENJ... SynthesisandDiffuseReflectanceSpectrumofOpen-frameworkCobaltPhosphateDAF-2FromAlcoholicSystemYUJi-hong;CHENJie-shengandXURu-r... 展开更多
关键词 s:Synthesis Cobalt phosphate Alcoholic system diffuse reflectance spectroscopy
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