In sub nanometer carbon nanotubes,water exhibits unique dynamic characteristics,and in the high-frequency region of the infrared spectrum,where the stretching vibrations of the internal oxygen-hydrogen(O-H)bonds are c...In sub nanometer carbon nanotubes,water exhibits unique dynamic characteristics,and in the high-frequency region of the infrared spectrum,where the stretching vibrations of the internal oxygen-hydrogen(O-H)bonds are closely related to the hydrogen bonds(H-bonds)network between water molecules.Therefore,it is crucial to analyze the relationship between these two aspects.In this paper,the infrared spectrum and motion characteristics of the stretching vibrations of the O-H bonds in one-dimensional confined water(1DCW)and bulk water(BW)in(6,6)single-walled carbon nanotubes(SWNT)are studied by molecular dynamics simulations.The results show that the stretching vibrations of the two O-H bonds in 1DCW exhibit different frequencies in the infrared spectrum,while the O-H bonds in BW display two identical main frequency peaks.Further analysis using the spring oscillator model reveals that the difference in the stretching amplitude of the O-H bonds is the main factor causing the change in vibration frequency,where an increase in stretching amplitude leads to a decrease in spring stiffness and,consequently,a lower vibration frequency.A more in-depth study found that the interaction of H-bonds between water molecules is the fundamental cause of the increased stretching amplitude and decreased vibration frequency of the O-H bonds.Finally,by analyzing the motion trajectory of the H atoms,the dynamic differences between 1DCW and BW are clearly revealed.These findings provide a new perspective for understanding the behavior of water molecules at the nanoscale and are of significant importance in advancing the development of infrared spectroscopy detection technology.展开更多
Near infrared spectrometer technology under a wavelength range of 918-1045 nm was used to rapidly detect paddy rice that was stored at 5℃, 15℃ and 25℃. A total of 121 paddy rice samples were collected from artifici...Near infrared spectrometer technology under a wavelength range of 918-1045 nm was used to rapidly detect paddy rice that was stored at 5℃, 15℃ and 25℃. A total of 121 paddy rice samples were collected from artificial infection with moulds to build the calibration models to calculate the total number colony of moulds based on the principal component regression method and multiple linear regression method. The results of statistical analysis indicated that multiple linear regression method was applicable to the detection of the total number colony of moulds. The correlation of calibration data set was 0.943. The correlation of prediction data set was 0.897. Therefore, the result showed that near infrared spectroscopy could be a useful instrumental method for determining the total number colony of moulds in paddy rice. The near infrared spectroscopy methodology could be applied for monitoring mould contamination in postharvest paddy rice during storage and might become a powerful tool for monitoring the safety of the grain.展开更多
为提升矿工的风险感知水平,基于文献调研和试验研究,将噪声暴露分为0、15、30、45 min 4阶段,设计不同噪声暴露时间风险感知任务试验,采集被试的功能性近红外光谱(fNIRS)与行为数据,运用配对t检验、非参数检验、Pearson相关性分析方法,...为提升矿工的风险感知水平,基于文献调研和试验研究,将噪声暴露分为0、15、30、45 min 4阶段,设计不同噪声暴露时间风险感知任务试验,采集被试的功能性近红外光谱(fNIRS)与行为数据,运用配对t检验、非参数检验、Pearson相关性分析方法,探究不同噪声暴露时间对矿工风险感知水平的影响关系。结果表明:(1)被试的正确率受噪声暴露时间影响显著,随暴露时间的延长,正确率呈“先升后降”的趋势;(2)不同噪声暴露时间下进行风险感知任务显著激活位于眶额叶(OFC)、额极区(FPC)与背外侧前额叶(dlPFC)区域的通道,且左半脑激活程度略大于右半脑;(3)不同阶段脑区间呈现阶段性协作关系。无噪声阶段背外侧前额叶与额极区协作,噪声暴露时间为15 min时,额极区与眶额叶协作增强,暴露30与45 min,背外侧前额叶左右半球间协作增强。展开更多
The prickly pear fruit helps in combating viral based infections.It is used to treat diabetes and declared to possess hypoglycemic effects.There is also record of the usage of the fruit in the olden days as a remedy f...The prickly pear fruit helps in combating viral based infections.It is used to treat diabetes and declared to possess hypoglycemic effects.There is also record of the usage of the fruit in the olden days as a remedy for diabetes,lipid disorders,inflammation,ulcers,and pharmacologic side effects.The chemical composition and nutritional values of skin,flesh and seed of prickly pear fruit were investigated and discussed on a dry weight situation.The infrared spectra as well as scanning electron microscopy(SEM)techniques were used to identify the functional groups of carbohydrates,amino acids,and protein.The infrared spectral data of all three(skin,flesh,and seeds)species were recorded and assigned to the presence of distinguish peaks that referred to the three different sugars(glucose,fructose and saccharose)and cyclic aliphatic hydrocarbons moieties.On the other hand,the SEM is a powerful tool to investigate the morphological features of the components.SEM assays were examined on the surfaces of skin,flesh and seed branches showing a small particle that tends to form clusters with different shapes compared to each other.The Energy-dispersive X-ray spectroscopy(EDX)is an analytical technique used for the elemental analysis or chemical characterization of a sample.The EDX spectral technique of the skin,flesh and seeds were confirmed the presence of different essential and useful elements such as carbon,oxygen,magnesium,calcium,potassium,sulfur,aluminum,silicon,chloride,and phosphorus.展开更多
Background:Cotton fiber maturity is an important property that partially determines the processing and performance of cotton.Due to difficulties of obtaining fiber maturity values accurately from every plant of a gene...Background:Cotton fiber maturity is an important property that partially determines the processing and performance of cotton.Due to difficulties of obtaining fiber maturity values accurately from every plant of a genetic population,cotton geneticists often use micronaire(MIC) and/or lint percentage for classifying immature phenotypes from mature fiber phenotyp es although they are complex fiber traits.The recent development of an algorithm for determining cotton fiber maturity(MIR)from Fourier transform infrared(FT-IR)spectra explores a novel way to measure fiber maturity efficiently and accurately.However,the algorithm has not been tested with a genetic population consisting of a large number of progeny pla,nts.Results:The merits and limits of the MIC-or lint percentage-bas ed phenotyping method were demonstrated by comparing the observed phenotypes with the predicted phenotypes based on their DNA marker genotypes in a genetic population consisting of 708 F2 plants with various fiber maturity.The observed MIC-based fiber phenotypes matched to the predicted phenotypes better than the observed lint percenta ge-based fiber phenotypes.The lint percentage was obtained from each of F2 plants,whereas the MIC values were unable to be obtained from the entire population since certain F2 plants produced insufficient fiber mass for their measurements.To test the feasibiility of cotton fiber infrared maturity(MIR)as a viable phenotyping tool for genetic analyses,we me asured FT-IR spectra from the second population composed of 80 F2 plants with various fiber maturities,determined MIR values using the algorithms,and compared them with their genotypes in addition to other fiber phenotypes.The results showed that MIR values were successfully obtained from each of the F2 plants,and the observed MIR-based phenotypes fit well to the predicted phenotypes based on their DNA marker genotypes as well as the observed phenotypes based on a combination of MIC and lint percentage.Conclusions:The M,R value obtained from FT-IR spectra of cotton fibers is able to accurately assess fiber maturity of all plants of a population in a quantitative way.The technique provides an option for cotton geneticists to determine fiber maturity rapidly and efficiently.展开更多
A series of soy protein isolate(SPI)films plasticized by glycerol(Gly)were studied using attenuated total reflectance-Fourier transform infrared spectroscopy(ATR/FTIR).Perturbation-correlation movingwindow two-dimensi...A series of soy protein isolate(SPI)films plasticized by glycerol(Gly)were studied using attenuated total reflectance-Fourier transform infrared spectroscopy(ATR/FTIR).Perturbation-correlation movingwindow two-dimensional(PCMW2D)and two-dimensional correlation(2DCOS)analyses were applied to the amideⅠband and thus the hydrogen bond interaction between SPI and Gly was systematically investigated.When Gly concentrations were in the range 0~35%,the hydrogen bond amongβ-sheets was replaced by the one between SPI chain and Gly molecule,which caused these protein chains being changed toα-helix.However,the transformation ofβ-sheet toα-helix was saturated and both of them tend to change to random coil when Gly concentrations were in the range 35%~60%.展开更多
Identification of plant-pathogenic fungi is time-consuming due to cultivation and microscopic examination and can be influenced by the interpretation of the micro-morphological characters observed.The present investig...Identification of plant-pathogenic fungi is time-consuming due to cultivation and microscopic examination and can be influenced by the interpretation of the micro-morphological characters observed.The present investigation aimed to create a simple but sophisticated method for the identification of plant-pathogenic fungi by Fourier transform infrared(FTIR)spectroscopy.In this study,FTIR-attenuated total reflectance(ATR)spectroscopy was used in combination with chemometric analysis for identification of important pathogenic fungi of horticultural plants.Mixtures of mycelia and spores from 27fungal strains belonging to nine different families were collected from liquid PD or solid PDA media cultures and subjected to FTIR-ATR spectroscopy measurements.The FTIR-ATR spectra ranging from 4 000to 400cm-1 were obtained.To classify the FTIRATR spectra,cluster analysis was compared with canonical vitiate analysis(CVA)in the spectral regions of3 050~2 800and 1 800~900cm-1.Results showed that the identification accuracies achieved 97.53%and99.18%for the cluster analysis and CVA analysis,respectively,demonstrating the high potential of this technique for fungal strain identification.展开更多
The surface structure and properties are different from those of the bulk, depending on the substrate materials and deposition condition, and playing an important role in precise optical components. The conventional s...The surface structure and properties are different from those of the bulk, depending on the substrate materials and deposition condition, and playing an important role in precise optical components. The conventional spectroscopic methods to monitor the surface structure are restricted only in several layers of molecules. It is known that the penetration depth of the incident light increases with its wavelength and decreases with the angle of incidence. Thus infrared spectroscopy provides a powerful means for determination of surface structure and the depth profile up to micrometers. By recording the reflection spectra at different angles of incidence, the surface structure and its depth profile can be monitored successively. Further, the incident field has the subcomponents parallel and perpendicular to the surface, which excite the transverse and longitudinal optic modes, respectively. Change of the polarization direction of the incident light provides a practical function to study anisotropic property of the surface and the interaction between the transverse and longitudinal optic modes. In this work, infrared spectrophotometer was applied to investigate the depth profile in microstructure of silica glass. Combining with the glass fiber system, this technique can be used for in-situ control of the deposition process. In comparing with ellipsometry, this method reveals both structural and constitutional information.展开更多
This review paper reports near-infrared(NIR)imaging studies using a newly-developed NIR camera,Compovision.Compovision can measure a significantly wide area of 150mm×250mm at high speed of between 2and 5s.It enab...This review paper reports near-infrared(NIR)imaging studies using a newly-developed NIR camera,Compovision.Compovision can measure a significantly wide area of 150mm×250mm at high speed of between 2and 5s.It enables a wide spectral region measurement in the 1 000~2 350nm range at 6nm intervals.We investigated the potential of Compovision in the applications to industrial problems such as the evaluation of pharmaceutical tablets and polymers.Our studies have demonstrated that NIR imaging based on Compovision can solve several issues such as long acquisition times and relatively low sensitivity of detection.NIR imaging with Compovision is strongly expected to be applied not only to pharmaceutical tablet monitoring and polymer characterization but also to various applications such as those to food products,biomedical substances and organic and inorganic materials.展开更多
Background:The majority of attenuated total reflection Fourier transform infrared(ATR FT-IR)investigations of cotton are focused on the fiber tissue for biological mechanisms and understanding of fiber development and...Background:The majority of attenuated total reflection Fourier transform infrared(ATR FT-IR)investigations of cotton are focused on the fiber tissue for biological mechanisms and understanding of fiber development and maturity,but rarely on other cotton biomass comp on ents.This work examined in detail the ATR FT-IR spectral features of various cott on tissues/organs at reproductive and maturation stages,an a lyzed and discussed their biological implications.Results:The ATR FT-IR spectra of these tissues/organs were an a lyzed and compared with the focus on the lower wavenumber fingerprinting range.Six outstanding FT-IR bands at 1730,1620,1525,1235,1050 and 895 cm^(-1) represented the major C=O stretching,protein Amide I,Amide II,the O-H/N-H deformation,the total C-O-C stretching and the β-glycosidic linkage in celluloses,respectively,and impacted differently between these organs with the two growth stages.Furthermore,the band intensity at 1620,1525,1235,and 1050 cm^(-1) were exclusively and significantly correlated to the levels of protein(Amide I bond),protein(Amide II bond),cellulose,and hemicellulose,respectively,whereas the band at 1730 cm^(-1) was negatively correlated with ash content.Conclusions:The resulting observations indicated the capability of ATR FT-IR spectroscopy for monitoring changes,transportation,and accumulation of the major chemical components in these tissues over the cotton growth period.In other words,this spectral technology could be an effective tool for physiological,biochemical,and morphological research related to cotton biology and development.展开更多
基金Supported by the Natural Science Foundation of China(51705326,52075339)。
文摘In sub nanometer carbon nanotubes,water exhibits unique dynamic characteristics,and in the high-frequency region of the infrared spectrum,where the stretching vibrations of the internal oxygen-hydrogen(O-H)bonds are closely related to the hydrogen bonds(H-bonds)network between water molecules.Therefore,it is crucial to analyze the relationship between these two aspects.In this paper,the infrared spectrum and motion characteristics of the stretching vibrations of the O-H bonds in one-dimensional confined water(1DCW)and bulk water(BW)in(6,6)single-walled carbon nanotubes(SWNT)are studied by molecular dynamics simulations.The results show that the stretching vibrations of the two O-H bonds in 1DCW exhibit different frequencies in the infrared spectrum,while the O-H bonds in BW display two identical main frequency peaks.Further analysis using the spring oscillator model reveals that the difference in the stretching amplitude of the O-H bonds is the main factor causing the change in vibration frequency,where an increase in stretching amplitude leads to a decrease in spring stiffness and,consequently,a lower vibration frequency.A more in-depth study found that the interaction of H-bonds between water molecules is the fundamental cause of the increased stretching amplitude and decreased vibration frequency of the O-H bonds.Finally,by analyzing the motion trajectory of the H atoms,the dynamic differences between 1DCW and BW are clearly revealed.These findings provide a new perspective for understanding the behavior of water molecules at the nanoscale and are of significant importance in advancing the development of infrared spectroscopy detection technology.
基金Supported by the National 12th Five-year Plan for Science&Technology Support Fund(2012BAK08B04-02)the Heilongjiang Science and Technology Plan(GC12B404)
文摘Near infrared spectrometer technology under a wavelength range of 918-1045 nm was used to rapidly detect paddy rice that was stored at 5℃, 15℃ and 25℃. A total of 121 paddy rice samples were collected from artificial infection with moulds to build the calibration models to calculate the total number colony of moulds based on the principal component regression method and multiple linear regression method. The results of statistical analysis indicated that multiple linear regression method was applicable to the detection of the total number colony of moulds. The correlation of calibration data set was 0.943. The correlation of prediction data set was 0.897. Therefore, the result showed that near infrared spectroscopy could be a useful instrumental method for determining the total number colony of moulds in paddy rice. The near infrared spectroscopy methodology could be applied for monitoring mould contamination in postharvest paddy rice during storage and might become a powerful tool for monitoring the safety of the grain.
文摘为提升矿工的风险感知水平,基于文献调研和试验研究,将噪声暴露分为0、15、30、45 min 4阶段,设计不同噪声暴露时间风险感知任务试验,采集被试的功能性近红外光谱(fNIRS)与行为数据,运用配对t检验、非参数检验、Pearson相关性分析方法,探究不同噪声暴露时间对矿工风险感知水平的影响关系。结果表明:(1)被试的正确率受噪声暴露时间影响显著,随暴露时间的延长,正确率呈“先升后降”的趋势;(2)不同噪声暴露时间下进行风险感知任务显著激活位于眶额叶(OFC)、额极区(FPC)与背外侧前额叶(dlPFC)区域的通道,且左半脑激活程度略大于右半脑;(3)不同阶段脑区间呈现阶段性协作关系。无噪声阶段背外侧前额叶与额极区协作,噪声暴露时间为15 min时,额极区与眶额叶协作增强,暴露30与45 min,背外侧前额叶左右半球间协作增强。
基金Taif University Researches Supporting Project number(TURSP-2020/01),Taif University,Taif,Saudi Arabia。
文摘The prickly pear fruit helps in combating viral based infections.It is used to treat diabetes and declared to possess hypoglycemic effects.There is also record of the usage of the fruit in the olden days as a remedy for diabetes,lipid disorders,inflammation,ulcers,and pharmacologic side effects.The chemical composition and nutritional values of skin,flesh and seed of prickly pear fruit were investigated and discussed on a dry weight situation.The infrared spectra as well as scanning electron microscopy(SEM)techniques were used to identify the functional groups of carbohydrates,amino acids,and protein.The infrared spectral data of all three(skin,flesh,and seeds)species were recorded and assigned to the presence of distinguish peaks that referred to the three different sugars(glucose,fructose and saccharose)and cyclic aliphatic hydrocarbons moieties.On the other hand,the SEM is a powerful tool to investigate the morphological features of the components.SEM assays were examined on the surfaces of skin,flesh and seed branches showing a small particle that tends to form clusters with different shapes compared to each other.The Energy-dispersive X-ray spectroscopy(EDX)is an analytical technique used for the elemental analysis or chemical characterization of a sample.The EDX spectral technique of the skin,flesh and seeds were confirmed the presence of different essential and useful elements such as carbon,oxygen,magnesium,calcium,potassium,sulfur,aluminum,silicon,chloride,and phosphorus.
基金supported by the USDA-ARS Research Project#6054-21000-017-0ODCotton Incorporated-sponsored project#19-858
文摘Background:Cotton fiber maturity is an important property that partially determines the processing and performance of cotton.Due to difficulties of obtaining fiber maturity values accurately from every plant of a genetic population,cotton geneticists often use micronaire(MIC) and/or lint percentage for classifying immature phenotypes from mature fiber phenotyp es although they are complex fiber traits.The recent development of an algorithm for determining cotton fiber maturity(MIR)from Fourier transform infrared(FT-IR)spectra explores a novel way to measure fiber maturity efficiently and accurately.However,the algorithm has not been tested with a genetic population consisting of a large number of progeny pla,nts.Results:The merits and limits of the MIC-or lint percentage-bas ed phenotyping method were demonstrated by comparing the observed phenotypes with the predicted phenotypes based on their DNA marker genotypes in a genetic population consisting of 708 F2 plants with various fiber maturity.The observed MIC-based fiber phenotypes matched to the predicted phenotypes better than the observed lint percenta ge-based fiber phenotypes.The lint percentage was obtained from each of F2 plants,whereas the MIC values were unable to be obtained from the entire population since certain F2 plants produced insufficient fiber mass for their measurements.To test the feasibiility of cotton fiber infrared maturity(MIR)as a viable phenotyping tool for genetic analyses,we me asured FT-IR spectra from the second population composed of 80 F2 plants with various fiber maturities,determined MIR values using the algorithms,and compared them with their genotypes in addition to other fiber phenotypes.The results showed that MIR values were successfully obtained from each of the F2 plants,and the observed MIR-based phenotypes fit well to the predicted phenotypes based on their DNA marker genotypes as well as the observed phenotypes based on a combination of MIC and lint percentage.Conclusions:The M,R value obtained from FT-IR spectra of cotton fibers is able to accurately assess fiber maturity of all plants of a population in a quantitative way.The technique provides an option for cotton geneticists to determine fiber maturity rapidly and efficiently.
文摘A series of soy protein isolate(SPI)films plasticized by glycerol(Gly)were studied using attenuated total reflectance-Fourier transform infrared spectroscopy(ATR/FTIR).Perturbation-correlation movingwindow two-dimensional(PCMW2D)and two-dimensional correlation(2DCOS)analyses were applied to the amideⅠband and thus the hydrogen bond interaction between SPI and Gly was systematically investigated.When Gly concentrations were in the range 0~35%,the hydrogen bond amongβ-sheets was replaced by the one between SPI chain and Gly molecule,which caused these protein chains being changed toα-helix.However,the transformation ofβ-sheet toα-helix was saturated and both of them tend to change to random coil when Gly concentrations were in the range 35%~60%.
基金the National Natural Science Foundation of China(31201473)the Science and Technology Innovation Program of the Chinese Academy of Agricultural Sciences(CAAS-ASTIP-IVFCAAS)funded by the Key Laboratory of Biology and Genetic Improvement of Horticultural Crops,Ministry of Agriculture,P.R.China
文摘Identification of plant-pathogenic fungi is time-consuming due to cultivation and microscopic examination and can be influenced by the interpretation of the micro-morphological characters observed.The present investigation aimed to create a simple but sophisticated method for the identification of plant-pathogenic fungi by Fourier transform infrared(FTIR)spectroscopy.In this study,FTIR-attenuated total reflectance(ATR)spectroscopy was used in combination with chemometric analysis for identification of important pathogenic fungi of horticultural plants.Mixtures of mycelia and spores from 27fungal strains belonging to nine different families were collected from liquid PD or solid PDA media cultures and subjected to FTIR-ATR spectroscopy measurements.The FTIR-ATR spectra ranging from 4 000to 400cm-1 were obtained.To classify the FTIRATR spectra,cluster analysis was compared with canonical vitiate analysis(CVA)in the spectral regions of3 050~2 800and 1 800~900cm-1.Results showed that the identification accuracies achieved 97.53%and99.18%for the cluster analysis and CVA analysis,respectively,demonstrating the high potential of this technique for fungal strain identification.
基金This work was supported by the Cheung Kong Scholars Program and the National High Technology Research and Development(863)Program of China.
文摘The surface structure and properties are different from those of the bulk, depending on the substrate materials and deposition condition, and playing an important role in precise optical components. The conventional spectroscopic methods to monitor the surface structure are restricted only in several layers of molecules. It is known that the penetration depth of the incident light increases with its wavelength and decreases with the angle of incidence. Thus infrared spectroscopy provides a powerful means for determination of surface structure and the depth profile up to micrometers. By recording the reflection spectra at different angles of incidence, the surface structure and its depth profile can be monitored successively. Further, the incident field has the subcomponents parallel and perpendicular to the surface, which excite the transverse and longitudinal optic modes, respectively. Change of the polarization direction of the incident light provides a practical function to study anisotropic property of the surface and the interaction between the transverse and longitudinal optic modes. In this work, infrared spectrophotometer was applied to investigate the depth profile in microstructure of silica glass. Combining with the glass fiber system, this technique can be used for in-situ control of the deposition process. In comparing with ellipsometry, this method reveals both structural and constitutional information.
文摘This review paper reports near-infrared(NIR)imaging studies using a newly-developed NIR camera,Compovision.Compovision can measure a significantly wide area of 150mm×250mm at high speed of between 2and 5s.It enables a wide spectral region measurement in the 1 000~2 350nm range at 6nm intervals.We investigated the potential of Compovision in the applications to industrial problems such as the evaluation of pharmaceutical tablets and polymers.Our studies have demonstrated that NIR imaging based on Compovision can solve several issues such as long acquisition times and relatively low sensitivity of detection.NIR imaging with Compovision is strongly expected to be applied not only to pharmaceutical tablet monitoring and polymer characterization but also to various applications such as those to food products,biomedical substances and organic and inorganic materials.
基金supported in part by the U.S. Department of Agriculture, Agricultural Research Service
文摘Background:The majority of attenuated total reflection Fourier transform infrared(ATR FT-IR)investigations of cotton are focused on the fiber tissue for biological mechanisms and understanding of fiber development and maturity,but rarely on other cotton biomass comp on ents.This work examined in detail the ATR FT-IR spectral features of various cott on tissues/organs at reproductive and maturation stages,an a lyzed and discussed their biological implications.Results:The ATR FT-IR spectra of these tissues/organs were an a lyzed and compared with the focus on the lower wavenumber fingerprinting range.Six outstanding FT-IR bands at 1730,1620,1525,1235,1050 and 895 cm^(-1) represented the major C=O stretching,protein Amide I,Amide II,the O-H/N-H deformation,the total C-O-C stretching and the β-glycosidic linkage in celluloses,respectively,and impacted differently between these organs with the two growth stages.Furthermore,the band intensity at 1620,1525,1235,and 1050 cm^(-1) were exclusively and significantly correlated to the levels of protein(Amide I bond),protein(Amide II bond),cellulose,and hemicellulose,respectively,whereas the band at 1730 cm^(-1) was negatively correlated with ash content.Conclusions:The resulting observations indicated the capability of ATR FT-IR spectroscopy for monitoring changes,transportation,and accumulation of the major chemical components in these tissues over the cotton growth period.In other words,this spectral technology could be an effective tool for physiological,biochemical,and morphological research related to cotton biology and development.
