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
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
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
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
The infrared spectra of La_(0.65)Ba_xMnO_(3-|?£(c) (x = 0.35, 0.33 and 0.30) were investigated experimentally. The result shows that the sample La_(0.65)Ba_xMnO_(3-|?£(c) has the largest Curie temperature and the sm...The infrared spectra of La_(0.65)Ba_xMnO_(3-|?£(c) (x = 0.35, 0.33 and 0.30) were investigated experimentally. The result shows that the sample La_(0.65)Ba_xMnO_(3-|?£(c) has the largest Curie temperature and the smallest resistivity and wave number of the stretching vibration mode of MnO_6 octaheUron at 300 K among the investigated samples. However, the absorption strength for the stretching vibration mode of Mn0_6 octahedron in La_(0.65)Ba_xMnO_(3-|?£(c) is stronger for parainagnetic phase than that for ferromagnelic phase, which may be connected with the reducing of the dynamic in- coherent Jahn-Teller distortion below Curie temperature. In addition, the large shift of wave number for the stretching mode at the temperatures from 293 to 423 K has been observed in La_(0.65)Ba_xMnO_(3-|?£(c), which may be due to the in- crease of the Mn-O bond length with temperature increasing.展开更多
The title complexes Ln(DEP),(Ln=La,Sm,Eu,Ho and Yb)were synthesized by reaction of triethyl phosphate with trivalent rare earth chlorides.The mechanism of thermo-decomposition of the complexes has been studied.Accordi...The title complexes Ln(DEP),(Ln=La,Sm,Eu,Ho and Yb)were synthesized by reaction of triethyl phosphate with trivalent rare earth chlorides.The mechanism of thermo-decomposition of the complexes has been studied.According to their IR spectra,the residues of the thermo-decomposition of the complexes were identified as Ln(PO_3)_3.Their IR spectra were measured and principal IR bands were assigned.The experimental results of the IR spectra of the complexes show that the title complexes have the same coordination form and mo- lecular configuration as rare earth,e.g.Sm,complex with dimethyl phosphate(Sm(DMP)_3).Each of the rare earth ion links three rare earth ions nearby through double“O-P-O”bridges to form a special network of rings-linking-rings,each of which consists of twenty-four atoms.The Ln-O bond is principally ionic.展开更多
Near infrared(NIR)spectroscopy is now widely used influidized bed granulation.However,there are still some demerits that should be overcome in practice.Valid spectra selection during modeling process is now a hard nut...Near infrared(NIR)spectroscopy is now widely used influidized bed granulation.However,there are still some demerits that should be overcome in practice.Valid spectra selection during modeling process is now a hard nut to crack.In this study,a novel NIR sensor and a cosine distance method were introduced to solve this problem in order to make thefluidized process into"visualization".A NIR sensor wasfixed on the side of the expansion chamber to acquire the NIR spectra.Then valid spectra were selected based on a cosine distance method to reduce the influence of dynamic disturbances.Finally,spectral pretreatment and wavelength selection methods were investigated to establish partial least squares(PLS)models to monitor the mois-ture content.The results showed that the root mean square error of prediction(RMSEP)was 0.124%for moisture content model,which was much lower than that without valid spectra selection treatment.All results demonstrated that with the help of valid spectra selection treatment,NIR sensor could be used for real-time determination of critical quality attributes(CQAs)more accurately.It makes the manufacturing easier to understand than the process parameter control.展开更多
IRAS low-resolution spectra are presented for 36 HAEBE stars. It is found that silicate dust in amorphous or glassy form is common material in the circumstellar disks or/and shells of HAEBE stars. It is also found tha...IRAS low-resolution spectra are presented for 36 HAEBE stars. It is found that silicate dust in amorphous or glassy form is common material in the circumstellar disks or/and shells of HAEBE stars. It is also found that the PAH feature is often appeared as well.展开更多
As important components of air pollutant,volatile organic compounds(VOCs)can cause great harm to environment and human body.The concentration change of VOCs should be focused on in real-time environment monitoring sys...As important components of air pollutant,volatile organic compounds(VOCs)can cause great harm to environment and human body.The concentration change of VOCs should be focused on in real-time environment monitoring system.In order to solve the problem of wavelength redundancy in full spectrum partial least squares(PLS)modeling for VOCs concentration analysis,a new method based on improved interval PLS(iPLS)integrated with Monte-Carlo sampling,called iPLS-MC method,was proposed to select optimal characteristic wavelengths of VOCs spectra.This method uses iPLS modeling to preselect the characteristic wavebands of the spectra and generates random wavelength combinations from the selected wavebands by Monte-Carlo sampling.The wavelength combination with the best prediction result in regression model is selected as the characteristic wavelengths of the spectrum.Different wavelength selection methods were built,respectively,on Fourier transform infrared(FTIR)spectra of ethylene and ethanol gas at different concentrations obtained in the laboratory.When the interval number of iPLS model is set to 30 and the Monte-Carlo sampling runs 1000 times,the characteristic wavelengths selected by iPLS-MC method can reduce from 8916 to 10,which occupies only 0.22%of the full spectrum wavelengths.While the RMSECV and correlation coefficient(Rc)for ethylene are 0.2977 and 0.9999 ppm,and those for ethanol gas are 0.2977 ppm and 0.9999.The experimental results show that the iPLS-MC method can select the optimal characteristic wavelengths of VOCs FTIR spectra stably and effectively,and the prediction performance of the regression model can be significantly improved and simplified by using characteristic wavelengths.展开更多
The population ratio between the excited states of rubidium in the electrodeless discharge rubidium vapour lamp is calculated according to the near-infrared spectra in the region of 780-1550 nm. By using a 1529 nm las...The population ratio between the excited states of rubidium in the electrodeless discharge rubidium vapour lamp is calculated according to the near-infrared spectra in the region of 780-1550 nm. By using a 1529 nm laser, we measure the density of natural rubidium atoms at the 5P3/2 level. The populations of different excited states are then clarified.展开更多
The FT-IR spectra for K_2NbF_7-FLINAK-O^(2-) solution were measured and compared with the spectra of crystalline K_2NbF_7 and K_2NbOF_6.The results show that the niobium fluoro-complex and/or oxyfluoro-complex ions ar...The FT-IR spectra for K_2NbF_7-FLINAK-O^(2-) solution were measured and compared with the spectra of crystalline K_2NbF_7 and K_2NbOF_6.The results show that the niobium fluoro-complex and/or oxyfluoro-complex ions are presented in these solutions.NbF_7^(2-) complex ion is the predominant species in Nb(V)-FLINAK solution(not considering oxide impurity).The influence of O^(2-) on the oxyfluoro-complex ions shows that NbOF_6^(3-) as a stable monooxyfluoro-complex anion presented in FLINAK-O^(2-) systems and the number of NbOF_6^(3-) species are increased with increasing of O^(2-) when molar ratio of O^(2-)/Nb(V) is less than 1.展开更多
This paper studies various classifiers to identify primary, secondary or tertiary alcohols by using segmental spectra and their combinations to support vector machines (SVMs). The results showed that the O-H in-plan...This paper studies various classifiers to identify primary, secondary or tertiary alcohols by using segmental spectra and their combinations to support vector machines (SVMs). The results showed that the O-H in-plane bending absorption contributed most to identification their substitute. This conclusion disagrees with related known research results.展开更多
In this paper the embedded zerotree wavelet (EZW) method and Huffman coding are proposed to compress infrared (IR) spectra. We found that this technique is much better than others in terms of efficiently coding wavele...In this paper the embedded zerotree wavelet (EZW) method and Huffman coding are proposed to compress infrared (IR) spectra. We found that this technique is much better than others in terms of efficiently coding wavelet coefficients because the zerotree quantization is an effective way of exploiting the self-similarities of wavelet coefficients at various resolutions.展开更多
The potential of support vector machines (SVMs) for the substructure elucidation of infrared spectra have been investigated. The trained SVMs can identify the 16 substructures with high accuracy.
p -type CZ silicon crystals annealed at 450℃ have been investigated by low temperature infrared spectroscopy with high resolusion. It has been shown that the 2p± and 3p± bands of neutral thermal donors TD~&...p -type CZ silicon crystals annealed at 450℃ have been investigated by low temperature infrared spectroscopy with high resolusion. It has been shown that the 2p± and 3p± bands of neutral thermal donors TD~° are all split into two bands, which have not been reported before. In addition, the concentrations ofindi- vidual TD_i and total TD have been derived from the heights of 2po bands, and the boron concentrations de- rived from that of 320 cm^(-1) band. The room temperature resistivities of samples have been evaluated and the comparison with practically measured resistivities have been made.展开更多
The membrane microstructures and the mechanism of two coated ureas formed through solid- liquid reaction were observed by scanning electron microscope and infrared spectra, the relation of the structural characteris...The membrane microstructures and the mechanism of two coated ureas formed through solid- liquid reaction were observed by scanning electron microscope and infrared spectra, the relation of the structural characteristics with the nitrogen release feature was also discussed by combining with nitrogen dissolution in water. The results showed that the membranes were made of solid particles tightly connected to each other and were piled up layer by layer through liquid glue. Porosity and aperture of membrane were determined by compactness of piled layers and the particles in a single layer and also related to the characteristics of coating materials. Research of the infrared spectra of membrane, made of a solid powder and a liquid glue, proved that O-H on the solid surface was bonded with the double bond of the liquid glue, thus forming membrane and keeping it stable. It was found that the two coated ureas showed obvious differences in nitrogen releasing due to their membrane structures, the porosity and aperture of membrane were the critical factors for nitrogen releasing.展开更多
The molecular model of Trifluoromethylthiosulphenyl Chloride,CF_(3)SSCl,was presented.Ab initio method was used to calculate the structure and Raman and Infrared spectra.The results show that CF_(3)SSCl possess stereo...The molecular model of Trifluoromethylthiosulphenyl Chloride,CF_(3)SSCl,was presented.Ab initio method was used to calculate the structure and Raman and Infrared spectra.The results show that CF_(3)SSCl possess stereoscopic structure of C_(1)symmetry with a torsional angle of 94.2°.The potential energy distribution and isotope replacement methods were applied to determine the vibrational assignment.The vibrational frequencies and corresponding modes of the molecule were obtained.The calculated vibrational frequencies are in good agreement with experiments.展开更多
Soft independent modeling of class analogy (SIMCA) was successful in classifying a large library of 758 commercially available, non-blended samples of acetate, cotton, polyester, rayon, silk and wool 89% - 98% of the ...Soft independent modeling of class analogy (SIMCA) was successful in classifying a large library of 758 commercially available, non-blended samples of acetate, cotton, polyester, rayon, silk and wool 89% - 98% of the time at the 95% confidence level (p = 0.05 significance level). In the present study, cotton and silk had a 62% and 24% chance, respectively, of being classified with their own group and also with rayon. SIMCA correctly identified a counterfeit “silk” sample as polyester. When coupled with diffuse NIR reflectance spectroscopy and a large sample library, SIMCA shows considerable promise as a quick, non-destructive, multivariate method for fiber identification. A major advantage is simplicity. No sample pretreatment of any kind was required, and no adjust-ments were made for fiber origin, manufacturing process residues, topical finishes, weave pattern, or dye content. Increasing the sample library should make the models more robust and improve identification rates over those reported in this paper.展开更多
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.
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.
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National Natural Science Foundation of China(No.51977214)Science and Technology Research Project of Chongqing Education Commission(No.KJQN202212805)Special funding project of Army Medical University(No.2021XJS08)。
文摘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.
基金This work was financially supported by the Trans-Century Foundation of the Educational Ministry of China and by the National Nat
文摘The infrared spectra of La_(0.65)Ba_xMnO_(3-|?£(c) (x = 0.35, 0.33 and 0.30) were investigated experimentally. The result shows that the sample La_(0.65)Ba_xMnO_(3-|?£(c) has the largest Curie temperature and the smallest resistivity and wave number of the stretching vibration mode of MnO_6 octaheUron at 300 K among the investigated samples. However, the absorption strength for the stretching vibration mode of Mn0_6 octahedron in La_(0.65)Ba_xMnO_(3-|?£(c) is stronger for parainagnetic phase than that for ferromagnelic phase, which may be connected with the reducing of the dynamic in- coherent Jahn-Teller distortion below Curie temperature. In addition, the large shift of wave number for the stretching mode at the temperatures from 293 to 423 K has been observed in La_(0.65)Ba_xMnO_(3-|?£(c), which may be due to the in- crease of the Mn-O bond length with temperature increasing.
文摘The title complexes Ln(DEP),(Ln=La,Sm,Eu,Ho and Yb)were synthesized by reaction of triethyl phosphate with trivalent rare earth chlorides.The mechanism of thermo-decomposition of the complexes has been studied.According to their IR spectra,the residues of the thermo-decomposition of the complexes were identified as Ln(PO_3)_3.Their IR spectra were measured and principal IR bands were assigned.The experimental results of the IR spectra of the complexes show that the title complexes have the same coordination form and mo- lecular configuration as rare earth,e.g.Sm,complex with dimethyl phosphate(Sm(DMP)_3).Each of the rare earth ion links three rare earth ions nearby through double“O-P-O”bridges to form a special network of rings-linking-rings,each of which consists of twenty-four atoms.The Ln-O bond is principally ionic.
基金the financial support of the Natural Science Foundation of Shandong Province of China(No.ZR2017MB012)Major In-novation Project of Shandong Province of China(2018CXGC1405)
文摘Near infrared(NIR)spectroscopy is now widely used influidized bed granulation.However,there are still some demerits that should be overcome in practice.Valid spectra selection during modeling process is now a hard nut to crack.In this study,a novel NIR sensor and a cosine distance method were introduced to solve this problem in order to make thefluidized process into"visualization".A NIR sensor wasfixed on the side of the expansion chamber to acquire the NIR spectra.Then valid spectra were selected based on a cosine distance method to reduce the influence of dynamic disturbances.Finally,spectral pretreatment and wavelength selection methods were investigated to establish partial least squares(PLS)models to monitor the mois-ture content.The results showed that the root mean square error of prediction(RMSEP)was 0.124%for moisture content model,which was much lower than that without valid spectra selection treatment.All results demonstrated that with the help of valid spectra selection treatment,NIR sensor could be used for real-time determination of critical quality attributes(CQAs)more accurately.It makes the manufacturing easier to understand than the process parameter control.
文摘IRAS low-resolution spectra are presented for 36 HAEBE stars. It is found that silicate dust in amorphous or glassy form is common material in the circumstellar disks or/and shells of HAEBE stars. It is also found that the PAH feature is often appeared as well.
基金supported by National Key Scientific Instrument and Equipment Development Project of China,Grant Nos.2013YQ220643the National 863 Program of China,Grant Nos.2014AA06A503.
文摘As important components of air pollutant,volatile organic compounds(VOCs)can cause great harm to environment and human body.The concentration change of VOCs should be focused on in real-time environment monitoring system.In order to solve the problem of wavelength redundancy in full spectrum partial least squares(PLS)modeling for VOCs concentration analysis,a new method based on improved interval PLS(iPLS)integrated with Monte-Carlo sampling,called iPLS-MC method,was proposed to select optimal characteristic wavelengths of VOCs spectra.This method uses iPLS modeling to preselect the characteristic wavebands of the spectra and generates random wavelength combinations from the selected wavebands by Monte-Carlo sampling.The wavelength combination with the best prediction result in regression model is selected as the characteristic wavelengths of the spectrum.Different wavelength selection methods were built,respectively,on Fourier transform infrared(FTIR)spectra of ethylene and ethanol gas at different concentrations obtained in the laboratory.When the interval number of iPLS model is set to 30 and the Monte-Carlo sampling runs 1000 times,the characteristic wavelengths selected by iPLS-MC method can reduce from 8916 to 10,which occupies only 0.22%of the full spectrum wavelengths.While the RMSECV and correlation coefficient(Rc)for ethylene are 0.2977 and 0.9999 ppm,and those for ethanol gas are 0.2977 ppm and 0.9999.The experimental results show that the iPLS-MC method can select the optimal characteristic wavelengths of VOCs FTIR spectra stably and effectively,and the prediction performance of the regression model can be significantly improved and simplified by using characteristic wavelengths.
基金Project supported by the National Natural Science Foundation of China (Grant Nos.10874009 and 11074011)
文摘The population ratio between the excited states of rubidium in the electrodeless discharge rubidium vapour lamp is calculated according to the near-infrared spectra in the region of 780-1550 nm. By using a 1529 nm laser, we measure the density of natural rubidium atoms at the 5P3/2 level. The populations of different excited states are then clarified.
文摘The FT-IR spectra for K_2NbF_7-FLINAK-O^(2-) solution were measured and compared with the spectra of crystalline K_2NbF_7 and K_2NbOF_6.The results show that the niobium fluoro-complex and/or oxyfluoro-complex ions are presented in these solutions.NbF_7^(2-) complex ion is the predominant species in Nb(V)-FLINAK solution(not considering oxide impurity).The influence of O^(2-) on the oxyfluoro-complex ions shows that NbOF_6^(3-) as a stable monooxyfluoro-complex anion presented in FLINAK-O^(2-) systems and the number of NbOF_6^(3-) species are increased with increasing of O^(2-) when molar ratio of O^(2-)/Nb(V) is less than 1.
基金This work is partially supported by the National Natural Science Foundation of China (No 29877016).
文摘This paper studies various classifiers to identify primary, secondary or tertiary alcohols by using segmental spectra and their combinations to support vector machines (SVMs). The results showed that the O-H in-plane bending absorption contributed most to identification their substitute. This conclusion disagrees with related known research results.
基金supported by the National Natural Science Foundmion of China(No.29877016).
文摘In this paper the embedded zerotree wavelet (EZW) method and Huffman coding are proposed to compress infrared (IR) spectra. We found that this technique is much better than others in terms of efficiently coding wavelet coefficients because the zerotree quantization is an effective way of exploiting the self-similarities of wavelet coefficients at various resolutions.
文摘The potential of support vector machines (SVMs) for the substructure elucidation of infrared spectra have been investigated. The trained SVMs can identify the 16 substructures with high accuracy.
文摘p -type CZ silicon crystals annealed at 450℃ have been investigated by low temperature infrared spectroscopy with high resolusion. It has been shown that the 2p± and 3p± bands of neutral thermal donors TD~° are all split into two bands, which have not been reported before. In addition, the concentrations ofindi- vidual TD_i and total TD have been derived from the heights of 2po bands, and the boron concentrations de- rived from that of 320 cm^(-1) band. The room temperature resistivities of samples have been evaluated and the comparison with practically measured resistivities have been made.
基金The project was supported by the National 863 Program(2001AA2 46023)the Guangdong Controlled-Release Fertilizer Project(2KB 05601N)the Guangzhou Controlled-Re-lease Fertilizer Project(2001Z02402),P.R.China.
文摘The membrane microstructures and the mechanism of two coated ureas formed through solid- liquid reaction were observed by scanning electron microscope and infrared spectra, the relation of the structural characteristics with the nitrogen release feature was also discussed by combining with nitrogen dissolution in water. The results showed that the membranes were made of solid particles tightly connected to each other and were piled up layer by layer through liquid glue. Porosity and aperture of membrane were determined by compactness of piled layers and the particles in a single layer and also related to the characteristics of coating materials. Research of the infrared spectra of membrane, made of a solid powder and a liquid glue, proved that O-H on the solid surface was bonded with the double bond of the liquid glue, thus forming membrane and keeping it stable. It was found that the two coated ureas showed obvious differences in nitrogen releasing due to their membrane structures, the porosity and aperture of membrane were the critical factors for nitrogen releasing.
文摘The molecular model of Trifluoromethylthiosulphenyl Chloride,CF_(3)SSCl,was presented.Ab initio method was used to calculate the structure and Raman and Infrared spectra.The results show that CF_(3)SSCl possess stereoscopic structure of C_(1)symmetry with a torsional angle of 94.2°.The potential energy distribution and isotope replacement methods were applied to determine the vibrational assignment.The vibrational frequencies and corresponding modes of the molecule were obtained.The calculated vibrational frequencies are in good agreement with experiments.
文摘Soft independent modeling of class analogy (SIMCA) was successful in classifying a large library of 758 commercially available, non-blended samples of acetate, cotton, polyester, rayon, silk and wool 89% - 98% of the time at the 95% confidence level (p = 0.05 significance level). In the present study, cotton and silk had a 62% and 24% chance, respectively, of being classified with their own group and also with rayon. SIMCA correctly identified a counterfeit “silk” sample as polyester. When coupled with diffuse NIR reflectance spectroscopy and a large sample library, SIMCA shows considerable promise as a quick, non-destructive, multivariate method for fiber identification. A major advantage is simplicity. No sample pretreatment of any kind was required, and no adjust-ments were made for fiber origin, manufacturing process residues, topical finishes, weave pattern, or dye content. Increasing the sample library should make the models more robust and improve identification rates over those reported in this paper.