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
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
BACKGROUND Crohn’s disease(CD)is often misdiagnosed as intestinal tuberculosis(ITB).However,the treatment and prognosis of these two diseases are dramatically different.Therefore,it is important to develop a method t...BACKGROUND Crohn’s disease(CD)is often misdiagnosed as intestinal tuberculosis(ITB).However,the treatment and prognosis of these two diseases are dramatically different.Therefore,it is important to develop a method to identify CD and ITB with high accuracy,specificity,and speed.AIM To develop a method to identify CD and ITB with high accuracy,specificity,and speed.METHODS A total of 72 paraffin wax-embedded tissue sections were pathologically and clinically diagnosed as CD or ITB.Paraffin wax-embedded tissue sections were attached to a metal coating and measured using attenuated total reflectance fourier transform infrared spectroscopy at mid-infrared wavelengths combined with XGBoost for differential diagnosis.RESULTS The results showed that the paraffin wax-embedded specimens of CD and ITB were significantly different in their spectral signals at 1074 cm^(-1) and 1234 cm^(-1) bands,and the differential diagnosis model based on spectral characteristics combined with machine learning showed accuracy,specificity,and sensitivity of 91.84%,92.59%,and 90.90%,respectively,for the differential diagnosis of CD and ITB.CONCLUSION Information on the mid-infrared region can reveal the different histological components of CD and ITB at the molecular level,and spectral analysis combined with machine learning to establish a diagnostic model is expected to become a new method for the differential diagnosis of CD and ITB.展开更多
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
Mild cognitive impairment(MCI)is a precursor to Alzheimer’s disease.It is imperative to develop a proper treatment for this neurological disease in the aging society.This observational study investigated the effects ...Mild cognitive impairment(MCI)is a precursor to Alzheimer’s disease.It is imperative to develop a proper treatment for this neurological disease in the aging society.This observational study investigated the effects of acupuncture therapy on MCI patients.Eleven healthy individuals and eleven MCI patients were recruited for this study.Oxy-and deoxy-hemoglobin signals in the prefrontal cortex during working-memory tasks were monitored using functional near-infrared spectroscopy.Before acupuncture treatment,working-memory experiments were conducted for healthy control(HC)and MCI groups(MCI-0),followed by 24 sessions of acupuncture for the MCI group.The acupuncture sessions were initially carried out for 6 weeks(two sessions per week),after which experiments were performed again on the MCI group(MCI-1).This was followed by another set of acupuncture sessions that also lasted for 6 weeks,after which the experiments were repeated on the MCI group(MCI-2).Statistical analyses of the signals and classifications based on activation maps as well as temporal features were performed.The highest classification accuracies obtained using binary connectivity maps were 85.7%HC vs.MCI-0,69.5%HC vs.MCI-1,and 61.69%HC vs.MCI-2.The classification accuracies using the temporal features mean from 5 seconds to 28 seconds and maximum(i.e,max(5:28 seconds))values were 60.6%HC vs.MCI-0,56.9%HC vs.MCI-1,and 56.4%HC vs.MCI-2.The results reveal that there was a change in the temporal characteristics of the hemodynamic response of MCI patients due to acupuncture.This was reflected by a reduction in the classification accuracy after the therapy,indicating that the patients’brain responses improved and became comparable to those of healthy subjects.A similar trend was reflected in the classification using the image feature.These results indicate that acupuncture can be used for the treatment of MCI patients.展开更多
Elemental analysis,nuclear magnetic resonance carbon spectroscopy(^(13)C-NMR),X-ray photoelectron spectroscopy(XPS)and Fourier transform infrared spectroscopy(FTIR)experiments were carried out to determine the existen...Elemental analysis,nuclear magnetic resonance carbon spectroscopy(^(13)C-NMR),X-ray photoelectron spectroscopy(XPS)and Fourier transform infrared spectroscopy(FTIR)experiments were carried out to determine the existence of aromatic structure,heteroatom structure and fat structure in coal.MS(materials studio)software was used to optimize and construct a 3D molecular structure model of coal.A method for establishing a coal molecular structure model was formed,which was“determination of key structures in coal,construction of planar molecular structure model,and optimization of three-dimensional molecular structure model”.The structural differences were compared and analyzed.The results show that with the increase of coal rank,the dehydrogenation of cycloalkanes in coal is continuously enhanced,and the content of heteroatoms in the aromatic ring decreases.The heteroatoms and branch chains in the coal are reduced,and the structure is more orderly and tight.The stability of the structure is determined by theπ-πinteraction between the aromatic rings in the nonbonding energy EN.Key Stretching Energy The size of EB determines how tight the structure is.The research results provide a method and reference for the study of the molecular structure of medium and high coal ranks.展开更多
Over the last 100 years,significant advances have been made in the characterisation of milk composition for dairy cattle improvement programs.Technological progress has enabled a shift from labour intensive,on-farm co...Over the last 100 years,significant advances have been made in the characterisation of milk composition for dairy cattle improvement programs.Technological progress has enabled a shift from labour intensive,on-farm collection and processing of samples that assess yield and fat levels in milk,to large-scale processing of samples through centralised laboratories,with the scope extended to include quantification of other traits.Fourier-transform midinfrared(FT-MIR)spectroscopy has had a significant role in the transformation of milk composition phenotyping,with spectral-based predictions of major milk components already being widely used in milk payment and animal evaluation systems globally.Increasingly,there is interest in analysing the individual FT-MIR wavenumbers,and in utilising the FT-MIR data to predict other novel traits of importance to breeding programs.This includes traits related to the nutritional value of milk,the processability of milk into products such as cheese,and traits relevant to animal health and the environment.The ability to successfully incorporate these traits into breeding programs is dependent on the heritability of the FT-MIR predicted traits,and the genetic correlations between the FT-MIR predicted and actual trait values.Linking FT-MIR predicted traits to the underlying mutations responsible for their variation can be difficult because the phenotypic expression of these traits are a function of a diverse range of molecular and biological mechanisms that can obscure their genetic basis.The individual FT-MIR wavenumbers give insights into the chemical composition of milk and provide an additional layer of granularity that may assist with establishing causal links between the genome and observed phenotypes.Additionally,there are other molecular phenotypes such as those related to the metabolome,chromatin accessibility,and RNA editing that could improve our understanding of the underlying biological systems controlling traits of interest.Here we review topics of importance to phenotyping and genetic applications of FT-MIR spectra datasets,and discuss opportunities for consolidating FT-MIR datasets with other genomic and molecular data sources to improve future dairy cattle breeding programs.展开更多
Vibrational relaxation dynamics of monomeric water molecule dissolved in d-chloroform solution were revisited using the two dimensional Infrared (2D IR) spectroscopy. The vibrational lifetime of OH bending in monome...Vibrational relaxation dynamics of monomeric water molecule dissolved in d-chloroform solution were revisited using the two dimensional Infrared (2D IR) spectroscopy. The vibrational lifetime of OH bending in monomeric water shows a bi-exponential decay. The fast compo- nent (T1=(1.2±0.1) ps) is caused by the rapid population equilibration between the vibrational modes of the monomeric water molecule. The slow component (T2=(26.4±0.2) ps) is mainly caused by the vibrational population decay of OH bending mode. The reorientation of the OH bending in monomeric water is determined with a time constant of t=(1.2±0.1) ps which is much faster than the rotational dynamics of water molecules in the bulk solution. Furthermore, we are able to reveal the direct vibrational energy transfer from OH stretching to OH bending in monomeric water dissolved in d-chloroform for the first time. The vibrational coupling and relative orientation of transition dipole moment between OH bending and stretching that effect their intra-molecular vibrational energy transfer rates are discussed in detail.展开更多
Cell wall composition in monocotyledonous grasses has been identified as a key area of research for developing better feedstocks for forage and biofuel production.Setaria viridis and its close domesticated relative Se...Cell wall composition in monocotyledonous grasses has been identified as a key area of research for developing better feedstocks for forage and biofuel production.Setaria viridis and its close domesticated relative Setaria italica have been chosen as suitable monocotyledonous models for plants possessing the C4 pathway of photosynthesis including sorghum,maize,sugarcane,switchgrass and Miscanthus×giganteus.Accurate partial least squares regression(PLSR)models to predict S.italica stem composition have been generated,based upon Fourier transform mid-infrared(FTIR)spectra and calibrated with wet chemistry determinations of ground S.italica stem material measured using a modified version of the US National Renewable Energy Laboratory(NREL)acid hydrolysis protocol.The models facilitated a high-throughput screening analysis for glucan,xylan,Klason lignin and acid soluble lignin(ASL)in a collection of 183 natural S.italica variants and clustered them into classes,some possessing unique chemotypes.The predictive models provide a highly efficient screening tool for large scale breeding programs aimed at identifying lines or mutants possessing unique cell wall chemotypes.Genes encoding key catalytic enzymes of the lignin biosynthesis pathway exhibit a high level of conservation with matching expression profiles,measured by RT-q PCR,among accessions of S.italica,which closely mirror profiles observed in the different developmental regions of an elongating internode of S.viridis by RNASeq.展开更多
In order to distinguish eight carnation cultivars, 40 samples were analyzed by Fourier transform infrared (FI'IR) spectroscopy combined with principal component analysis (PCA) and hierarchical cluster analysis (...In order to distinguish eight carnation cultivars, 40 samples were analyzed by Fourier transform infrared (FI'IR) spectroscopy combined with principal component analysis (PCA) and hierarchical cluster analysis (HCA). According to the results, infrared spectra of eight carnation cuhivars were similar, but signifi- cant differences were observed in wave numbers and absorption peak intensities in the range of 1 800 -700cm-1. The second order derivative spectra in the range of 1 800 -700 cm -l were selected to perform principal component analysis (PCA) and hierarchical cluster analysis (HCA). The cumulative contribution rate of the first three principal components reached 96.2%. The classification accuracy rate of PCA and HCA was 95% and 100%, respectively. The results demonstrated that Fourier transform infrared (FTIR) spectroscopy combined with principal component analysis (PCA) and hierarchical cluster analysis (HCA) could be used for identification of different carnation cultivars.展开更多
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
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
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
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
[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
[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
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
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
[Objective] The aim was to optimize experimental conditions of Gala apple NIR(Near Infrared)spectroscopy acquisition through study on the accuracy of NIR spectroscopy information under different influence factors.[M...[Objective] The aim was to optimize experimental conditions of Gala apple NIR(Near Infrared)spectroscopy acquisition through study on the accuracy of NIR spectroscopy information under different influence factors.[Method]Gala apple was taken as the experimental material,and FieldSpec3 spectrometer(Analytical Spectral Device Company,America)was employed to acquire the NIR spectroscopy at room temperature.Then,the effects of different conditions including the environmental stray light,instrument stability,different distance,different chromatic aberration,different sites and different shelf-life on spectroscopy acquisition were investigated.[Result]The stray light had a significant effect on the visible light region of NIR spectroscopy;FieldSpec3 spectrometer had higher stability in 9 h;the measure distance of 2.5-12.5 mm could obtain good repeatability of absorbance;the effects of different chromatic aberration of the same apple on spectra was acceptable;the spectral stability of equatorial plane of the apple was better than those of the bottom and stalk;at room temperature;different shelf-life could make significant influence to NIR spectroscopy of the apple simple.[Conclusion]This study will provide reference for the researchers and analysis workers of apple NIR spectroscopy.展开更多
[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
基金supported by the GENES intra-Africa Academic Mobility scheme of the European Union(EU-GENES:EACEA/2917/2552)the DESIRA-ABEE project funded by European Union。
文摘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.
文摘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.
基金the National Natural Science Foundation of China,No.61975069 and No.62005056Natural Science Foundation of Guangxi Province,No.2021JJB110003+2 种基金Natural Science Foundation of Guangdong Province,No.2018A0303131000Academician Workstation of Guangdong Province,No.2014B090905001Key Project of Scientific and Technological Projects of Guangzhou,No.201604040007 and No.201604020168.
文摘BACKGROUND Crohn’s disease(CD)is often misdiagnosed as intestinal tuberculosis(ITB).However,the treatment and prognosis of these two diseases are dramatically different.Therefore,it is important to develop a method to identify CD and ITB with high accuracy,specificity,and speed.AIM To develop a method to identify CD and ITB with high accuracy,specificity,and speed.METHODS A total of 72 paraffin wax-embedded tissue sections were pathologically and clinically diagnosed as CD or ITB.Paraffin wax-embedded tissue sections were attached to a metal coating and measured using attenuated total reflectance fourier transform infrared spectroscopy at mid-infrared wavelengths combined with XGBoost for differential diagnosis.RESULTS The results showed that the paraffin wax-embedded specimens of CD and ITB were significantly different in their spectral signals at 1074 cm^(-1) and 1234 cm^(-1) bands,and the differential diagnosis model based on spectral characteristics combined with machine learning showed accuracy,specificity,and sensitivity of 91.84%,92.59%,and 90.90%,respectively,for the differential diagnosis of CD and ITB.CONCLUSION Information on the mid-infrared region can reveal the different histological components of CD and ITB at the molecular level,and spectral analysis combined with machine learning to establish a diagnostic model is expected to become a new method for the differential diagnosis of CD and ITB.
基金the immense support provided by the National Research Foundation of Korea(NRF)Grant funded by the Korean Government(MSIT)(RS-2023–00210114)the National R&D Program through the National Research Foundation of Korea(NRF)funded by Ministry of Science and ICT(2021M3D1A2051636)。
文摘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.
基金supported by National Research Foundation(NRF)of Korea under the auspices of the Ministry of Science and ICT,Republic of Korea(No.NRF-2020R1A2B5B03096000,to KSH).
文摘Mild cognitive impairment(MCI)is a precursor to Alzheimer’s disease.It is imperative to develop a proper treatment for this neurological disease in the aging society.This observational study investigated the effects of acupuncture therapy on MCI patients.Eleven healthy individuals and eleven MCI patients were recruited for this study.Oxy-and deoxy-hemoglobin signals in the prefrontal cortex during working-memory tasks were monitored using functional near-infrared spectroscopy.Before acupuncture treatment,working-memory experiments were conducted for healthy control(HC)and MCI groups(MCI-0),followed by 24 sessions of acupuncture for the MCI group.The acupuncture sessions were initially carried out for 6 weeks(two sessions per week),after which experiments were performed again on the MCI group(MCI-1).This was followed by another set of acupuncture sessions that also lasted for 6 weeks,after which the experiments were repeated on the MCI group(MCI-2).Statistical analyses of the signals and classifications based on activation maps as well as temporal features were performed.The highest classification accuracies obtained using binary connectivity maps were 85.7%HC vs.MCI-0,69.5%HC vs.MCI-1,and 61.69%HC vs.MCI-2.The classification accuracies using the temporal features mean from 5 seconds to 28 seconds and maximum(i.e,max(5:28 seconds))values were 60.6%HC vs.MCI-0,56.9%HC vs.MCI-1,and 56.4%HC vs.MCI-2.The results reveal that there was a change in the temporal characteristics of the hemodynamic response of MCI patients due to acupuncture.This was reflected by a reduction in the classification accuracy after the therapy,indicating that the patients’brain responses improved and became comparable to those of healthy subjects.A similar trend was reflected in the classification using the image feature.These results indicate that acupuncture can be used for the treatment of MCI patients.
基金supported by the National Natural Science Foundation of China(41872174 and 42072189)the Program for Innovative Research Team(in Science and Technology)in the Universities of Henan Province,China(21IRTSTHN007)the Program for Innovative Research Team(in Science and Technology)of Henan Polytechnic University(T2020-4)。
文摘Elemental analysis,nuclear magnetic resonance carbon spectroscopy(^(13)C-NMR),X-ray photoelectron spectroscopy(XPS)and Fourier transform infrared spectroscopy(FTIR)experiments were carried out to determine the existence of aromatic structure,heteroatom structure and fat structure in coal.MS(materials studio)software was used to optimize and construct a 3D molecular structure model of coal.A method for establishing a coal molecular structure model was formed,which was“determination of key structures in coal,construction of planar molecular structure model,and optimization of three-dimensional molecular structure model”.The structural differences were compared and analyzed.The results show that with the increase of coal rank,the dehydrogenation of cycloalkanes in coal is continuously enhanced,and the content of heteroatoms in the aromatic ring decreases.The heteroatoms and branch chains in the coal are reduced,and the structure is more orderly and tight.The stability of the structure is determined by theπ-πinteraction between the aromatic rings in the nonbonding energy EN.Key Stretching Energy The size of EB determines how tight the structure is.The research results provide a method and reference for the study of the molecular structure of medium and high coal ranks.
基金funded by Livestock Improvement Corporation(LIC)the New Zealand Ministry for Primary Industries,through the Sustainable Food&Fibre Futures programme.
文摘Over the last 100 years,significant advances have been made in the characterisation of milk composition for dairy cattle improvement programs.Technological progress has enabled a shift from labour intensive,on-farm collection and processing of samples that assess yield and fat levels in milk,to large-scale processing of samples through centralised laboratories,with the scope extended to include quantification of other traits.Fourier-transform midinfrared(FT-MIR)spectroscopy has had a significant role in the transformation of milk composition phenotyping,with spectral-based predictions of major milk components already being widely used in milk payment and animal evaluation systems globally.Increasingly,there is interest in analysing the individual FT-MIR wavenumbers,and in utilising the FT-MIR data to predict other novel traits of importance to breeding programs.This includes traits related to the nutritional value of milk,the processability of milk into products such as cheese,and traits relevant to animal health and the environment.The ability to successfully incorporate these traits into breeding programs is dependent on the heritability of the FT-MIR predicted traits,and the genetic correlations between the FT-MIR predicted and actual trait values.Linking FT-MIR predicted traits to the underlying mutations responsible for their variation can be difficult because the phenotypic expression of these traits are a function of a diverse range of molecular and biological mechanisms that can obscure their genetic basis.The individual FT-MIR wavenumbers give insights into the chemical composition of milk and provide an additional layer of granularity that may assist with establishing causal links between the genome and observed phenotypes.Additionally,there are other molecular phenotypes such as those related to the metabolome,chromatin accessibility,and RNA editing that could improve our understanding of the underlying biological systems controlling traits of interest.Here we review topics of importance to phenotyping and genetic applications of FT-MIR spectra datasets,and discuss opportunities for consolidating FT-MIR datasets with other genomic and molecular data sources to improve future dairy cattle breeding programs.
文摘Vibrational relaxation dynamics of monomeric water molecule dissolved in d-chloroform solution were revisited using the two dimensional Infrared (2D IR) spectroscopy. The vibrational lifetime of OH bending in monomeric water shows a bi-exponential decay. The fast compo- nent (T1=(1.2±0.1) ps) is caused by the rapid population equilibration between the vibrational modes of the monomeric water molecule. The slow component (T2=(26.4±0.2) ps) is mainly caused by the vibrational population decay of OH bending mode. The reorientation of the OH bending in monomeric water is determined with a time constant of t=(1.2±0.1) ps which is much faster than the rotational dynamics of water molecules in the bulk solution. Furthermore, we are able to reveal the direct vibrational energy transfer from OH stretching to OH bending in monomeric water dissolved in d-chloroform for the first time. The vibrational coupling and relative orientation of transition dipole moment between OH bending and stretching that effect their intra-molecular vibrational energy transfer rates are discussed in detail.
文摘Cell wall composition in monocotyledonous grasses has been identified as a key area of research for developing better feedstocks for forage and biofuel production.Setaria viridis and its close domesticated relative Setaria italica have been chosen as suitable monocotyledonous models for plants possessing the C4 pathway of photosynthesis including sorghum,maize,sugarcane,switchgrass and Miscanthus×giganteus.Accurate partial least squares regression(PLSR)models to predict S.italica stem composition have been generated,based upon Fourier transform mid-infrared(FTIR)spectra and calibrated with wet chemistry determinations of ground S.italica stem material measured using a modified version of the US National Renewable Energy Laboratory(NREL)acid hydrolysis protocol.The models facilitated a high-throughput screening analysis for glucan,xylan,Klason lignin and acid soluble lignin(ASL)in a collection of 183 natural S.italica variants and clustered them into classes,some possessing unique chemotypes.The predictive models provide a highly efficient screening tool for large scale breeding programs aimed at identifying lines or mutants possessing unique cell wall chemotypes.Genes encoding key catalytic enzymes of the lignin biosynthesis pathway exhibit a high level of conservation with matching expression profiles,measured by RT-q PCR,among accessions of S.italica,which closely mirror profiles observed in the different developmental regions of an elongating internode of S.viridis by RNASeq.
基金Supported by National Natural Science Foundation of China"Vibration Spectrum-based Diagnosis of Biological Diseases in Broad Bean"(30960179)Science and Technology Innovation Program for Universities in Yunnan Province
文摘In order to distinguish eight carnation cultivars, 40 samples were analyzed by Fourier transform infrared (FI'IR) spectroscopy combined with principal component analysis (PCA) and hierarchical cluster analysis (HCA). According to the results, infrared spectra of eight carnation cuhivars were similar, but signifi- cant differences were observed in wave numbers and absorption peak intensities in the range of 1 800 -700cm-1. The second order derivative spectra in the range of 1 800 -700 cm -l were selected to perform principal component analysis (PCA) and hierarchical cluster analysis (HCA). The cumulative contribution rate of the first three principal components reached 96.2%. The classification accuracy rate of PCA and HCA was 95% and 100%, respectively. The results demonstrated that Fourier transform infrared (FTIR) spectroscopy combined with principal component analysis (PCA) and hierarchical cluster analysis (HCA) could be used for identification of different carnation cultivars.
文摘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.
基金supported by the National High Technology Research and Development Program of China("863"Program,No.2012AA020905)the National Natural Science Foundation of China(No.81171143)+1 种基金the Project of International Cooperation and Exchanges of the National Natural Science Foundation of China(No.81161160570)the Zhou Dafu Medical Research Fund(No.202836019-03)
文摘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.
文摘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.
文摘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.
基金Supported by the National Key Technology R&D Program of China (2006BAD02B07)the National Mordern Agricultural Industry System of China(CARS-07-12.5-A12)~~
文摘[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.
基金Supported by Promoting Projects of the Industrialization of University Research of Jiangsu Province (JHZD09-35)Natural Science Research Project of Universities in Jiangsu Province (09KJD210001)Research Foundation of Huaiyin Institute of Technology(HGA0908)~~
文摘[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.
文摘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.
基金Supported by National Natural Science Foundation of China(30960179)Program for Innovative Research Team in Science and Technology in University of Yunnan Province~~
文摘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.
基金Supported by Transformation Project for Agricultural Science and Technology Achievements from Science and Technology Ministry(2009GB23260457)~~
文摘[Objective] The aim was to optimize experimental conditions of Gala apple NIR(Near Infrared)spectroscopy acquisition through study on the accuracy of NIR spectroscopy information under different influence factors.[Method]Gala apple was taken as the experimental material,and FieldSpec3 spectrometer(Analytical Spectral Device Company,America)was employed to acquire the NIR spectroscopy at room temperature.Then,the effects of different conditions including the environmental stray light,instrument stability,different distance,different chromatic aberration,different sites and different shelf-life on spectroscopy acquisition were investigated.[Result]The stray light had a significant effect on the visible light region of NIR spectroscopy;FieldSpec3 spectrometer had higher stability in 9 h;the measure distance of 2.5-12.5 mm could obtain good repeatability of absorbance;the effects of different chromatic aberration of the same apple on spectra was acceptable;the spectral stability of equatorial plane of the apple was better than those of the bottom and stalk;at room temperature;different shelf-life could make significant influence to NIR spectroscopy of the apple simple.[Conclusion]This study will provide reference for the researchers and analysis workers of apple NIR spectroscopy.
基金Supported by the Collection and Arrangement of Crop Germplasm Resources in Shanxi Province(2016zzcx-17)the Special Fund for the Protection and Utilization of Crop Germplasm Resources of the Ministry of Agriculture(2015NWB030-07)+1 种基金the Project of the National Science and Technology Infrastructure of the Ministry of Science and Technology and the Ministry of Finance(NICGR2015-026)the Special Fund for Seed Industry of Shanxi Province(2016zyzx41)~~
文摘[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.