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Near Infrared Spectroscopy (NIRS) Model-Based Prediction for Protein Content in Cowpea
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作者 Kavera Biradar Waltram Ravelombola +1 位作者 Aurora Manley Caroline Ruhl 《American Journal of Plant Sciences》 CAS 2024年第3期145-160,共16页
Cowpea (Vigna unguiculata L. Walp) is a multi-purpose legume with high quality protein for human consumption and livestock. The objective of this work was to develop near-infrared spectroscopy (NIRS) prediction models... Cowpea (Vigna unguiculata L. Walp) is a multi-purpose legume with high quality protein for human consumption and livestock. The objective of this work was to develop near-infrared spectroscopy (NIRS) prediction models to estimate protein content in cowpea. A total of 116 cowpea breeding lines with a wide range of protein contents (19.28 % to 32.04%) were selected to build the model using whole seed and ground seed samples. Partial least-squares discriminant analysis (PLS-DA) regression technique with different pre-treatments (derivatives, standard normal variate, and multiplicative scatter correction) were carried out to develop the protein prediction model. Results showed: 1) spectral plots of both the whole seed and ground seed showed higher spectral scatter at higher wavelengths (>1450 nm), 2) data pre-processing affects prediction accuracy for bot whole seed and ground seed samples, 3) prediction using ground seed samples (0.64 R<sup>2</sup> 0.85) is better than the whole seed (0.33 R<sup>2</sup> 0.78), and 4) the data pre-processing second derivative with standard normal variate has the best prediction (R<sup>2</sup>_whole seed = 0.78, R<sup>2</sup>_ground seed = 0.85). The results will be of interest in cowpea breeding programs aimed at improving total seed protein content. 展开更多
关键词 COWPEA GERMPLASM PROTEIN Near-infrared spectroscopy (nirS) Partial Least Squares (PLS)
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In situ infrared, Raman and X-ray spectroscopy for the mechanistic understanding of hydrogen evolution reaction
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作者 Andi Haryanto Kyounghoon Jung +1 位作者 Chan Woo Lee Dong-Wan Kim 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第3期632-651,I0014,共21页
Hydrogen production by water reduction reactions has received considerable attention because hydrogen is considered a clean-energy carrier,key for a sustainable energy future.Computational methods have been widely use... Hydrogen production by water reduction reactions has received considerable attention because hydrogen is considered a clean-energy carrier,key for a sustainable energy future.Computational methods have been widely used to study the reaction mechanism of the hydrogen evolution reaction(HER),but the calculation results need to be supported by experimental results and direct evidence to confirm the mechanistic insights.In this review,we discuss the fundamental principles of the in situ spectroscopic strategy and a theoretical model for a mechanistic understanding of the HER.In addition,we investigate recent studies by in situ Fourier transform infrared(FTIR),Raman spectroscopy,and X-ray absorption spectroscopy(XAS) and cover new findings that occur at the catalyst-electrolyte interface during HER.These spectroscopic strategies provide practical ways to elucidate catalyst phase,reaction intermediate,catalyst-electrolyte interface,intermediate binding energy,metal valency state,and coordination environment during HER. 展开更多
关键词 Hydrogen evolution reaction infrared spectroscopy Raman spectroscopy X-ray absorption spectroscopy Reaction mechanism
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Application of near-infrared spectroscopy for fast germplasm analysis and classification in multi-environment using intact-seed peanut(Arachis hypogaea L.)
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作者 Fentanesh Chekole Kassie Gilles Chaix +10 位作者 Hermine Bille Ngalle Maguette Seye Coura Fall Hodo-Abalo Tossim Aissatou Sambou Olivier Gibert Fabrice Davrieux Joseph Martin Bell Jean-Francois Rami Daniel Fonceka Joel Romaric Nguepjop 《Oil Crop Science》 CSCD 2024年第2期132-141,共10页
Peanut is a worldwide oilseed crop and the need to assess germplasm in a non-destructive manner is important for seed nutritional breeding.In this study,Near Infrared Spectroscopy(NIRS)was applied to rapidly assess ge... Peanut is a worldwide oilseed crop and the need to assess germplasm in a non-destructive manner is important for seed nutritional breeding.In this study,Near Infrared Spectroscopy(NIRS)was applied to rapidly assess germplasm variability from whole seed of 699 samples,field-collected and assembled in four genetic and environmentbased sets:one set of 300 varieties of a core-collection and three sets of 133 genotypes of an interspecific population,evaluated in three environments in a large spatial scale of two countries,Mbalmayo and Bafia in Cameroon and Nioro in Senegal,under rainfed conditions.NIR elemental spectra were gathered on six subsets of seeds of each sample,after three rotation scans,with a spectral resolution of 16 cm-1over the spectral range of867 nm to 2530 nm.Spectra were then processed by principal component analysis(PCA)coupled with Partial least squares-discriminant analysis(PLS-DA).As results,a huge variability was found between varieties and genotypes for all NIR wavelength within and between environments.The magnitude of genetic variation was particularly observed at 11 relevant wavelengths such as 1723 nm,usually related to oil content and fatty acid composition.PCA yielded the most chemical attributes in three significant PCs(i.e.,eigenvalues>10),which together captured 93%of the total variation,revealing genetic and environment structure of varieties and genotypes into four clusters,corresponding to the four samples sets.The pattern of genetic variability of the interspecific population covers,remarkably half of spectrum of the core-collection,turning out to be the largest.Interestingly,a PLS-DA model was developed and a strong accuracy of 99.6%was achieved for the four sets,aiming to classify each seed sample according to environment origin.The confusion matrix achieved for the two sets of Bafia and Nioro showed 100%of instances classified correctly with 100%at both sensitivity and specificity,confirming that their seed quality was different from each other and all other samples.Overall,NIRS chemometrics is useful to assess and distinguish seeds from different environments and highlights the value of the interspecific population and core-collection,as a source of nutritional diversity,to support the breeding efforts. 展开更多
关键词 GROUNDNUT OILSEED Near infrared spectroscopy Germplasm analysis ENVIRONMENT NUTRITIONAL Breeding
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Noninvasive Detection of Cerebral Blood Flow and Blood Oxygen Based on Inductive Sensing Technology and Near Infrared Spectroscopy
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作者 Cheng Zhou Zexiang Lyu +6 位作者 Maoting Zhang Xin Zou Liang Wei Feng Wang Mingxin Qin Jia Xu Jian Sun 《Journal of Beijing Institute of Technology》 EI CAS 2024年第3期204-212,共9页
The synchronous monitoring of cerebral blood flow and blood oxygen levels plays a pivotal role in the prevention,diagnosis,and treatment of cerebrovascular diseases.This study introduces a novel noninvasive device uti... The synchronous monitoring of cerebral blood flow and blood oxygen levels plays a pivotal role in the prevention,diagnosis,and treatment of cerebrovascular diseases.This study introduces a novel noninvasive device utilizing inductive sensing and near-infrared spectroscopy technology to facilitate simultaneous monitoring of cerebral blood flow and blood oxygen levels.The device consists of modules for cerebral blood flow monitoring,cerebral blood oxygen monitoring,control,communication,and a host machine.Through experiments conducted on healthy subjects,it was confirmed that the device can effectively achieve synchronous monitoring and recording of cerebral blood flow and blood oxygen signals.The results demonstrate the device’s capability to accurately measure these signals simultaneously.This technology enables dynamic monitoring of cerebral blood flow and blood oxygen signals with potential clinical applications in preventing,diagnosing,treating cerebrovascular diseases while reducing their associated harm. 展开更多
关键词 cerebrovascular disease synchronous monitoring inductive sensing near infrared spec-troscopy(nirS)
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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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Infrared Spectroscopy-Based Chemometric Analysis for Lard Differentiation in Meat Samples
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作者 Muhammad Aadil Siddiqui M.H.Md Khir +3 位作者 Zaka Ullah Muath Al Hasan Abdul Saboor Saeed Ahmed Magsi 《Computers, Materials & Continua》 SCIE EI 2023年第5期2859-2871,共13页
One of the most pressing concerns for the consumer market is the detection of adulteration in meat products due to their preciousness.The rapid and accurate identification mechanism for lard adulteration in meat produ... One of the most pressing concerns for the consumer market is the detection of adulteration in meat products due to their preciousness.The rapid and accurate identification mechanism for lard adulteration in meat products is highly necessary,for developing a mechanism trusted by consumers and that can be used to make a definitive diagnosis.Fourier Transform Infrared Spectroscopy(FTIR)is used in this work to identify lard adulteration in cow,lamb,and chicken samples.A simplified extraction method was implied to obtain the lipids from pure and adulterated meat.Adulterated samples were obtained by mixing lard with chicken,lamb,and beef with different concentrations(10%–50%v/v).Principal component analysis(PCA)and partial least square(PLS)were used to develop a calibration model at 800–3500 cm^(−1).Three-dimension PCA was successfully used by dividing the spectrum in three regions to classify lard meat adulteration in chicken,lamb,and beef samples.The corresponding FTIR peaks for the lard have been observed at 1159.6,1743.4,2853.1,and 2922.5 cm−1,which differentiate chicken,lamb,and beef samples.The wavenumbers offer the highest determination coefficient R2 value of 0.846 and lowest root mean square error of calibration(RMSEC)and root mean square error prediction(RMSEP)with an accuracy of 84.6%.Even the tiniest fat adulteration up to 10%can be reliably discovered using this methodology. 展开更多
关键词 Fourier transform infrared spectroscopy LARD HALAL PCA PLS RMSEC RMSEP
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Process Characterization of the Transesterification of Rapeseed Oil to Biodiesel Using Design of Experiments and Infrared Spectroscopy
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作者 Tobias Drieschner Andreas Kandelbauer +1 位作者 Bernd Hitzmann Karsten Rebner 《Journal of Renewable Materials》 SCIE EI 2023年第4期1643-1660,共18页
For optimization of production processes and product quality,often knowledge of the factors influencing the process outcome is compulsory.Thus,process analytical technology(PAT)that allows deeper insight into the proc... For optimization of production processes and product quality,often knowledge of the factors influencing the process outcome is compulsory.Thus,process analytical technology(PAT)that allows deeper insight into the process and results in a mathematical description of the process behavior as a simple function based on the most important process factors can help to achieve higher production efficiency and quality.The present study aims at characterizing a well-known industrial process,the transesterification reaction of rapeseed oil with methanol to produce fatty acid methyl esters(FAME)for usage as biodiesel in a continuous micro reactor set-up.To this end,a design of experiment approach is applied,where the effects of two process factors,the molar ratio and the total flow rate of the reactants,are investigated.The optimized process target response is the FAME mass fraction in the purified nonpolar phase of the product as a measure of reaction yield.The quantification is performed using attenuated total reflection infrared spectroscopy in combination with partial least squares regression.The data retrieved during the conduction of the DoE experimental plan were used for statistical analysis.A non-linear model indicating a synergistic interaction between the studied factors describes the reactor behavior with a high coefficient of determination(R^(2))of 0.9608.Thus,we applied a PAT approach to generate further insight into this established industrial process. 展开更多
关键词 Process analytical technology TRANSESTERIFICATION design of experiment attenuated total reflection infrared spectroscopy partial least square regression
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Investigation of Prefrontal Cortex Activity in University Students with Presenteeism: A Near-Infrared Spectroscopy (NIRS) Study
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作者 Masateru Matsushita Schuhei Yamamura Manabu Ikeda 《Journal of Behavioral and Brain Science》 2015年第9期339-347,共9页
Presenteeism refers to impaired performance attributed to attending work with health problems. There has been no study examining the state of presenteeism with objective measures. We compared cerebral hemodynamic chan... Presenteeism refers to impaired performance attributed to attending work with health problems. There has been no study examining the state of presenteeism with objective measures. We compared cerebral hemodynamic changes, measured by near-infrared spectroscopy (NIRS), during neuropsychological tests conducted by university students with presenteeism and healthy controls. Twenty-two university students participated in the study;11 of them with impaired performance caused by mental health problem were allocated to the presenteeism group and 11 without health problems to the control group. Presenteeism was assessed by the Presenteeism Scale for Students. To evoke hemodynamics changes, the participants completed a Word Fluency Test (WFT) and a Trail Making Test (TMT). The NIRS probes were located over the bilateral prefrontal area. Students with presenteeism had significantly higher incidences of depression than controls. However, there was no significant difference in behavioral performance examinations between the two groups. With regard to hemodynamics changes, the repeated measures analysis of covariance of the NIRS signals revealed significant interactions between group and task activation. Although we observed a significant increase in oxygenated hemoglobin concentration during the WFT among controls (simple main effect;left channel, F(1, 19) = 27.34, P F(1, 19) = 22.05, P < 0.001), no changes were found in students with presenteeism during either the WFT (simple main effect;left channel, F(1, 19) = 0.12, P F(1, 19) = 0.08, P t = ﹣0.94, P with Bonferroni correction = 0.745;right channel, t = ﹣2.19, P with Bonferroni correction < 0.113). This is the first study to reveal differences in activity in the cerebral cortex associated with presenteeism. The fact that students with presenteeism have prefrontal dysfunction might reinforce the concept of presenteeism. 展开更多
关键词 ABSENTEEISM ADOLESCENT Health NEAR-infrared spectroscopy (nirS) PRESENTEEISM School REFUSAL
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Simulation and Modelling of near Infrared Spectroscopy (NIRS) as Brain Monitor
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作者 Mohamed Shaaban Ali 《Spectral Analysis Review》 2014年第2期3-5,共3页
Near infrared spectroscopy (NIRS) is a method for non-invasive monitoring of cerebral oxygenation and haemodynamics. Different devices provide information on changes of oxygenated (HbO2) and deoxygenated haemoglobin (... Near infrared spectroscopy (NIRS) is a method for non-invasive monitoring of cerebral oxygenation and haemodynamics. Different devices provide information on changes of oxygenated (HbO2) and deoxygenated haemoglobin (HHb), oxidized cytochrome aa3 (CytOx) or regional oxygen saturation (rSO2). NIRS has been used during adult and paediatric cardiac surgery. 展开更多
关键词 NEAR infrared spectroscopy (nirS)
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Correlation of prefrontal activity measured by near-infrared spectroscopy (NIRS) with mood, BDNF genotype and serum BDNF level in healthy individuals
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作者 Daisuke Matsuzawa Kotaro Takeda +8 位作者 Hiroyuki Ohtsuka Jun Takasugi Takashi Watanabe Junko Maeda Saeka Nagakubo Chihiro Sutoh Ichiro Shimoyama Ken Nakazawa Eiji Shimizu 《Open Journal of Psychiatry》 2012年第3期194-203,共10页
Depression has been known to reduce the prefrontal activity associated with the execution of certain cognitive tasks, although whether a temporarily depressed or anxious mood in healthy individuals affects the prefron... Depression has been known to reduce the prefrontal activity associated with the execution of certain cognitive tasks, although whether a temporarily depressed or anxious mood in healthy individuals affects the prefrontal blood oxygen level during cognitive tasks is unknown. Combining the measurement of prefrontal activity with near-infrared spectroscopy (NIRS) and the two cognitive tasks, namely the letter version of the verbal fluency test (VFT-l) and the Stroop test, we measured the effect of a depressed or anxious mood and gender on the changes in the prefrontal oxygenated hemoglobin (Oxy-Hb) levels during those cognitive tests in healthy individuals. Depressed mood or anxious mood was assessed by the Hospital Anxiety and Depression Scale (HADS). Thereby we aimed to explore the possibility of NIRS measurement for detecting the early subclinical manifestation of major depression. Moreover, we examined the possible relationships between prefrontal activation and the functional Val66Met polymorphisms of the brain derived neurotropic factor (BDNF) gene and serum BDNF level. As a result, the increased prefrontal Oxy-Hb levels during cognitive tasks were significantly correlated with the severity of depressed mood in males. The course of the prefrontal Oxy-Hb increase was different depending on the cognitive tasks, i.e., the VFT-l or the Stroop test, in both genders. Correlations of BDNF genotype and serum BDNF level with the prefrontal Oxy-Hb levels during those cognitive tasks were negative. Our results suggest that the early subclinical manifestation of depressed mood in males might be detected by the NIRS measurement, which is not correlated with the individual properties of BDNF. 展开更多
关键词 NEAR-infrared spectroscopy (nirS) Depression ANXIETY Brain Derived Neurotropic Factor (BDNF)
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WIRELESS DISTRIBUTED ACQUISITION SYSTEM FOR NEAR INFRARED SPECTROSCOPY-WDA-NIRS
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作者 J.SAFAIE R.GREBE +1 位作者 H.ABRISHAMI MOGHADDAM F.WALLOIS 《Journal of Innovative Optical Health Sciences》 SCIE EI CAS 2013年第3期31-45,共15页
The wireless distributed acquisition system for near infrared spectrosecopy(WDA-NIRS)is a portable,ultra-compact,contimuous wave(CW)NIRS system.Its main advantage is that it allows continuous synchronized multi-site h... The wireless distributed acquisition system for near infrared spectrosecopy(WDA-NIRS)is a portable,ultra-compact,contimuous wave(CW)NIRS system.Its main advantage is that it allows continuous synchronized multi-site hemodynarnic monitoring.The WDA-NIRS syster calculates online changes in hemoglobin concentration based on modifed Beer-Lambert law and the tissue oxy genation index based on the spatial resolved spectroscopy method.It consists of up to seven signal acquisition units,sufficiently small to be easily attached to any part of the body.These units are remotely synchronized by a PC base station for independent acquisition of NIRS signals.Each acquisition module can be freely adapted to individual requirements such as local skin properties and the microcirculation of interest,e.g,different muscles,brain,skin,etc.For this purpose,the light emitted by each LED can be individually,interactively or automatically adjusted to local needs.Furthermore,the user can freely create an emitter time multiplexing protocol and choose the detector sensitivity most suitable to a particular situation.The potential diagnostic value of this advanced device is demonstrated by three typical applications. 展开更多
关键词 nirS optical spectroscopy body area network MICROCIRCULATION
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Correlation between LIFG and Autonomic Activation during Stressful Tasks:A Functional Near-infrared Spectroscopy (fNIRS) Study 被引量:1
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作者 史洁 酒谷薰 +2 位作者 冈本雅子 山口由衣 左焕琮 《Journal of Huazhong University of Science and Technology(Medical Sciences)》 SCIE CAS 2014年第5期663-671,共9页
It remains unclear whether language tasks in one's first (L1) or second (L2) language can cause stress responses and whether frontal, autonomic and behavioral responses to stressful tasks are correlated. In this ... It remains unclear whether language tasks in one's first (L1) or second (L2) language can cause stress responses and whether frontal, autonomic and behavioral responses to stressful tasks are correlated. In this study, we studied 22 Chinese subjects whose L2 was English and measured the cerebral blood oxygenation in their frontal lobe by using functional near-infrared spectroscopy (fNIRS) as par- ticipants engaged in a mental arithmetic task (MAT) and verbal fluency tasks (VFTs) in L1 (Chinese) and L2 (English). To examine the activated cortical areas, we estimated the channel location based on Montreal Neurological Institute (MNI) standard brain space by using a-probabilistic estimation method. We evaluated heart rate (HR) changes to analyze autonomic nervous system (ANS) functioning. We found that the MAT and VFTs induced greater increases in HR than did the control (Ctrl) task. Further- more, subjects developed greater increases in HR in the MAT and VFTt~ than they did in the VFTL1. Compared with the Ctrl task, the MAT and both VFTLland VFTL2 produced robust and widespread bi- lateral activation of the frontal cortex. Interestingly, partial correlation analysis indicated that the activity in the left inferior frontal gyrus (LIFG) [Brodmarm's area (BA) 47] was consistently correlated with the increases in HR across the three tasks (MAT, VFTL2, and VFTL1), after controlling for the performance data. The present results suggested that a VFT in L2 may be more stressful than in L1. The LIFG may affect the activation of the sympathetic system induced by stressful tasks, includin~ MATs and VFTs. 展开更多
关键词 functional near-infrared spectroscopy mental arithmetic task verbal fluency task auto-nomic nervous system inferior frontal gyrus
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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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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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Analysis of Protein Content in Panicum miliaceum L. Using Near Infrared Transmittance Spectroscopy 被引量:2
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作者 牛宇 蒙秋霞 +5 位作者 张丽珍 赵婷婷 乔治军 牛伟 刘根科 冯耐红 《Agricultural Science & Technology》 CAS 2012年第5期965-968,共4页
[Objective] To explore a method for the rapid determination of protein con- tent in grains of Panicum miliaceum L. [Method] The near infrared transmittance spec- troscopy (NITS) was used to build the mathematical mo... [Objective] To explore a method for the rapid determination of protein con- tent in grains of Panicum miliaceum L. [Method] The near infrared transmittance spec- troscopy (NITS) was used to build the mathematical models for the quantitative analy- sis of protein content in the grains. Four combinations of treatment that first derivative and second derivative were respectively combined with partial least squares (PLS) and modified partial least squares (MPLS) were set to compare their effects on the original transmission spectrum. [Result] The predicting effects of the 4 combinations were similar. The optimal combination was first derivative with MPLS, in which the average determination coefficient of validation (RSQ) was 0.880 6, correlation coeffi- cient of cross validation (1-VR) was 0.857 0, standard error of calibration (SEC) was 0.342 4, standard error of cross validation (SECV) was 0.375 1, and the standard er- ror of prediction (SEP) was 0.454. [Conclusion] The constructed NITS model is a rapid way for the determination of protein content in grains of P. miliaceum. 展开更多
关键词 Near infrared transmittance spectroscopy Panicum miliaceum L. PROTEIN Calibration model
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Determination of Melamine by Infrared Spectroscopy Based on Nonlinear Modeling 被引量:1
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作者 张恒 高曼侠 +2 位作者 许兆棠 李文谦 王琪 《Agricultural Science & Technology》 CAS 2010年第8期133-136,共4页
[Objective] The aim was to develop a nonlinear model of quantitative analysis of melamine content by infrared spectroscopy and provide theoretical basis for the nondestructive detection of melamine. [Method] According... [Objective] The aim was to develop a nonlinear model of quantitative analysis of melamine content by infrared spectroscopy and provide theoretical basis for the nondestructive detection of melamine. [Method] According to dynamics,mathematical modeling and optimization theory,linear and nonlinear models were respectively set up by taking an absorption peak of 1 550 cm-1 as characteristic absorption peak. [Result] The correlation coefficient of nonlinear model was 0.922 7 and the recovery was 96%,which showed that the nonlinear model was more accurate than linearity model with correlation coefficient of 0.904 9 and recovery of 557%. [Conclusion] It is feasible to determine melamine content by using the nonlinear model quantitatively. 展开更多
关键词 infrared spectroscopy Quantitative analysis Nonlinear model MELAMINE
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Study on Methanol Oxidation at Pt and PtRu Electrodes by Combining in situ Infrared Spectroscopy and Differential Electrochemical Mass Spectrometry 被引量:1
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作者 陶骞 陈微 +2 位作者 姚瑶 Ammar Bin Yousaf 陈艳霞 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 2014年第5期541-547,I0003,共8页
Methanol oxidation reaction (MOR) at Pt and Pt electrode surface deposited with various amounts of Ru (denoted as PtxRuy, nominal coverage y is 0.17, 0.27, and 0.44 ML) in 0.1 mol/L HClO4+0.5 mol/L MeOH has been ... Methanol oxidation reaction (MOR) at Pt and Pt electrode surface deposited with various amounts of Ru (denoted as PtxRuy, nominal coverage y is 0.17, 0.27, and 0.44 ML) in 0.1 mol/L HClO4+0.5 mol/L MeOH has been studied under potentiostatic conditions by in situ FTIR spectroscopy in attenuated-total-reflection con guration and di erential electro-chemical mass spectrometry under controlled flow conditions. Results reveal that (i) CO is the only methanol-related adsorbate observed by IR spectroscopy at all the Pt and PtRu electrodes examined at potentials from 0.3 V to 0.6 V (vs. RHE); (ii) at Pt0.56Ru0.44, two IR bands, one from CO adsorbed at Ru islands and the other from COL at Pt substrate are detected, while at other electrodes, only a single band for COL adsorbed at Pt is observed; (iii) MOR activity decreases in the order of Pt0.73Ru0.27〉Pt0.56Ru0.44〉Pt0.83Ru0.17〉Pt; (iv) at 0.5 V, MOR at Pt0.73Ru0.27 reaches a current e ciency of 50% for CO2 production, the turn-over frequency from CH3OH to CO2 is ca. 0.1 molecule/(site sec). Suggestions for further improving of PtRu catalysts for MOR are provided. 展开更多
关键词 Differential electrochemical mass spectrometry Electrochemical in situ infrared spectroscopy Methanol oxidation PtRu electrode Current efficiency
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Detection of Broad Bean Diseases by Fourier Transform Infrared Spectroscopy Combined with Curve Fitting 被引量:1
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作者 汪小华 刘刚 +4 位作者 欧全宏 周湘萍 郝建明 刘剑虹 汪禄祥 《Agricultural Science & Technology》 CAS 2015年第6期1310-1313,共4页
Fourier transform infrared (FTIR) spectroscopy was used to study diseased leaves in broad bean. Results showed that the infrared spectra of different broad bean diseased leaves were similar, which were mainly made u... Fourier transform infrared (FTIR) spectroscopy was used to study diseased leaves in broad bean. Results showed that the infrared spectra of different broad bean diseased leaves were similar, which were mainly made up of the vibrational absorption bands of protein,lipid and polysaccharide.There were minor differences in-cluding the spectral peak position, peak shape and the absorption intensity in the range of 1 800-1 300 cm-1. There were obvious differences among their second derivative spectra in the range of 1 800-1 300 cm-1. After the procedure of the Fourier self-deconvolution and curve fitting of health bean leaves and broad bean diseased leaves in the range of 1 700-1 500 cm-1, three sub-peaks were obtained at 1 550 cm-1 (protein amide Ⅱ band), 1 605 cm-1 (lignin) and 1 650 cm-1 (protein amide I band).The ratios of relative areas of the bands of amide Ⅱ, lignin, and amide I were 38.86%, 28.68% and 32.47% in the spectra of healthy leaves, respec-tively. It was distinguished from the diseased leaves (chocolate spot leaf: 15.42%, 42.98% and 41.61%, ring spot leaf:32.39%, 35.63% and 31.98%, rust leaf: 13.97%, 46.40% and 39.65%, yel owing leaf curl disease leaf: 24.01%,36.55% and 39.44%). For sub-peak area ratios (A1 563/A1 605, A1 650/A1 605 and A1 563/A1 654), those of four kinds of diseased leaves were smal er than that of healthy leaves, and there were also differences among four kinds of diseased leaves. The results proved that FTIR combining with curve fitting might be a potential y useful tool for detecting different kinds of broad bean diseases. 展开更多
关键词 Fourier transform infrared (FTIR) spectroscopy Broad bean diseases Second derivative spectra Curve fitting
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Rapid Detection on Quinoa Fiber Based on Near Infrared Spectroscopy
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作者 曹晓宁 田翔 +5 位作者 王君杰 刘思辰 穆志新 陆平 陶梅 乔治军 《Agricultural Science & Technology》 CAS 2016年第10期2383-2385,2422,共4页
[Objective] To explore a rapid determination method for fiber content in grains of quinoa. [Method] Near infrared spectra of 100 quinoa samples were collected. The predicted models for quantitative analysis of fiber c... [Objective] To explore a rapid determination method for fiber content in grains of quinoa. [Method] Near infrared spectra of 100 quinoa samples were collected. The predicted models for quantitative analysis of fiber contents in the grains were built using near infrared transmittance spectroscopy (NITS). [Result] In the wavelength range of 10 000-4 000 cm-1, the near infrared quantitative model of quinoa crude fiber was set up via first derivative + vector normalization preprocessing and combining with the data from chemical methods. The calibration and prediction effect were best, and then the cross validation determination coefficient (FFcv) and external validation determination coefficient (FFval) of fiber by near in- frared quantitative model were 0.884 8 and 0.876 1, respectively. [Conclusion] the model of NITS about complete grains quinoa fiber can be available for fast detecting quinoa fiber content. 展开更多
关键词 Chenopodium quinoa Willd FIBER Near infrared spectroscopy
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锁阳中19种无机元素的NIR快速测定模型的建立与适宜测定元素筛选
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作者 顾志荣 祁梅 +2 位作者 杨浩 郭燕 葛斌 《中国野生植物资源》 CSCD 2024年第2期46-51,共6页
目的:建立锁阳中19种无机元素含量的近红外光谱(NIR)快速测定模型,筛选适宜采用NIR技术进行测定的元素。方法:采集5个省(区)的82批锁阳样品,采用积分球漫反射方式采集样品的NIR原始光谱,采用电感耦合等离子体-质谱(ICP-MS)法测定Na、K... 目的:建立锁阳中19种无机元素含量的近红外光谱(NIR)快速测定模型,筛选适宜采用NIR技术进行测定的元素。方法:采集5个省(区)的82批锁阳样品,采用积分球漫反射方式采集样品的NIR原始光谱,采用电感耦合等离子体-质谱(ICP-MS)法测定Na、K、Ca、Mg、Fe、Zn、Mn、Co、Sr、Ni、Ag、Ba、Ti、Pb、Cr、Cd、As、Hg、Cu等19种无机元素含量的化学参考值,筛选预处理原始光谱的化学计量学方法,筛选最佳波段及因子数,以偏最小二乘法(PLS)建立NIR定量分析模型。结果:K、Ca、Mg、Mn、Co、Sr、Ti、Cr元素的决定系数R^(2)及交叉验证R^(2)均大于0.9,校正均方差(RMSEC)、预测均方差(RMSEP)及留一法交叉验证均方差(RMSECV)在0.52~2.20之间,模型预测值与真实值之间具有较好的相关性,预测性能较好;Ni、Zn元素的决定系数R^(2)及交叉验证R^(2)在0.8~0.9之间,RMSEC、RMSEP及RMSECV在0.49~1.41之间,预测值与真实值之间的相关性一般;Cu元素的决定系数R^(2)及交叉验证R^(2)在0.7~0.8之间,Na、Fe、Ag、Ba、Pb、Cd、As、Hg元素的决定系数R^(2)及交叉验证R^(2)均小于0.7,此9种元素的RMSEC、RMSEP及RMSECV在1.13~10.75之间,预测值与真实值之间的相关性较差。K、Ca、Mg、Mn、Co、Sr、Ti、Cr等8种元素的模型预测值和真实值之间的相对误差在0.04%~7.62%之间,平均预测回收率在94.12%~108.45%之间,预测值与真实值之间无显著性差异(P>0.05)。结论:锁阳中K、Ca、Mg、Mn、Co、Sr、Ti、Cr元素含量适宜采用NIR技术进行快速测定。 展开更多
关键词 锁阳 无机元素 近红外光谱 偏最小二乘 快速测定
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