At present,Tradition Chinese Medicine(TCM)industry in China is in the stage from the empirical development to industrial production.Near infrared(NIR)spectroscopy has been widely used in the quality control of TCM'...At present,Tradition Chinese Medicine(TCM)industry in China is in the stage from the empirical development to industrial production.Near infrared(NIR)spectroscopy has been widely used in the quality control of TCM's modernization with its characteristics incuding rapidness,nondestruction,simplicity,economy,and so on.In this study,as one type of a portable micro NIR spectrometer,Micro NIR 1700 was used to establish the qualitative models for identification of geographical region and authenticity of Radix codonopsis based on discriminant analysis(DA)method.Both of the DA models had better predictive ability with 100%accuracy.In addition,a method for rapid quantitative analysis of polysaccharide in Radix codonopsis was also developed based on Micro NIR 1700 spectrometer with partial last-squares(PLS)algo-rithm.In the PLS calibration model,the NIR.spectra of samples were pretreated with different preprocessing methods and the spectral region was selected with different variable selection methods as well.The performance of the final PLS model was evaluated according to correlation cofficient of calibration(Rc),correlation coefficient of prediction(Rp),root mean squared error of cross validation(RMSECV),and root mean squared of prediction(RMSEP).The values of Re,Rp,RMSECV,and RMSEP were 0.9775,0.9602,2.496,and 2.734 g/mL,respectively.This work demonstrated that micro infrared spectrometer could be more convenient and rapid for quality control of Radix codonopsis,and the presented models would be a u1seful reference for quality control of other simi lar raw materials of TCM.展开更多
The bulky footprint of near-infrared(NIR)spectrometers has been limiting their applications in portable and movable systems for probing molecular compositions and structures.Quantum dot(QD)computational spectrometers ...The bulky footprint of near-infrared(NIR)spectrometers has been limiting their applications in portable and movable systems for probing molecular compositions and structures.Quantum dot(QD)computational spectrometers are a promising strategy for miniaturized NIR spectrometers,whose performance is limited by the poor spectral encoding matrix and,ultimately,the poor quality of PbS QDs.Here,we show that the monodispersity and finely controlled absorption peak of PbS QDs are critical parameters affecting the spectral resolution and noise resistance.Thus,a facile synthesis of a series of monodisperse PbS QDs from a single batch is developed using cation exchange synthesis in a seeded-growth manner.All the as-synthesized PbS QDs have narrow size distributions of below 4%,and the peak intervals can be controlled to within 3 nm.Furthermore,stable PbS QD inks are prepared by considering the compatibility between QD ligands,solvents,and polymers.The PbS QD filter array is fabricated using a contact printing method,exhibiting supreme transmittance curves and a spectral encoding matrix.The filter array is coupled with an InGaAs image sensor to form the QD NIR computational spectrometer.Thanks to the high-quality PbS QDs,the QD spectrometer shows a high spectral resolution of 1.5 nm in a broad wavelength range of 900−1700 nm and excellent spectral reconstruction of narrow and broad spectra with fidelities of above 0.987.Additionally,the QD spectrometer is applied to distinguish materials and accurately measure the alcohol content of white wines,demonstrating the great potential for practical applications of QD NIR spectrometers.展开更多
基金supported by the Project of Shandong Province(No.2012CX20203)the Major Special Project of National Scientic Instruments and Equipment Development(No.2014YQ47037709).
文摘At present,Tradition Chinese Medicine(TCM)industry in China is in the stage from the empirical development to industrial production.Near infrared(NIR)spectroscopy has been widely used in the quality control of TCM's modernization with its characteristics incuding rapidness,nondestruction,simplicity,economy,and so on.In this study,as one type of a portable micro NIR spectrometer,Micro NIR 1700 was used to establish the qualitative models for identification of geographical region and authenticity of Radix codonopsis based on discriminant analysis(DA)method.Both of the DA models had better predictive ability with 100%accuracy.In addition,a method for rapid quantitative analysis of polysaccharide in Radix codonopsis was also developed based on Micro NIR 1700 spectrometer with partial last-squares(PLS)algo-rithm.In the PLS calibration model,the NIR.spectra of samples were pretreated with different preprocessing methods and the spectral region was selected with different variable selection methods as well.The performance of the final PLS model was evaluated according to correlation cofficient of calibration(Rc),correlation coefficient of prediction(Rp),root mean squared error of cross validation(RMSECV),and root mean squared of prediction(RMSEP).The values of Re,Rp,RMSECV,and RMSEP were 0.9775,0.9602,2.496,and 2.734 g/mL,respectively.This work demonstrated that micro infrared spectrometer could be more convenient and rapid for quality control of Radix codonopsis,and the presented models would be a u1seful reference for quality control of other simi lar raw materials of TCM.
基金supported by the National Key Research and Development Program of China(No.2021YFA0715502)the National Natural Science Foundation of China(No.62475084)+2 种基金the Scientific Research Project of Wenzhou(No.G2023025)the Innovation Project of Optics Valley Laboratory(No.OVL2023ZD002)the Fund from Science,Technology and Innovation Commission of Shenzhen Municipality(No.GJHZ20220913143403007).
文摘The bulky footprint of near-infrared(NIR)spectrometers has been limiting their applications in portable and movable systems for probing molecular compositions and structures.Quantum dot(QD)computational spectrometers are a promising strategy for miniaturized NIR spectrometers,whose performance is limited by the poor spectral encoding matrix and,ultimately,the poor quality of PbS QDs.Here,we show that the monodispersity and finely controlled absorption peak of PbS QDs are critical parameters affecting the spectral resolution and noise resistance.Thus,a facile synthesis of a series of monodisperse PbS QDs from a single batch is developed using cation exchange synthesis in a seeded-growth manner.All the as-synthesized PbS QDs have narrow size distributions of below 4%,and the peak intervals can be controlled to within 3 nm.Furthermore,stable PbS QD inks are prepared by considering the compatibility between QD ligands,solvents,and polymers.The PbS QD filter array is fabricated using a contact printing method,exhibiting supreme transmittance curves and a spectral encoding matrix.The filter array is coupled with an InGaAs image sensor to form the QD NIR computational spectrometer.Thanks to the high-quality PbS QDs,the QD spectrometer shows a high spectral resolution of 1.5 nm in a broad wavelength range of 900−1700 nm and excellent spectral reconstruction of narrow and broad spectra with fidelities of above 0.987.Additionally,the QD spectrometer is applied to distinguish materials and accurately measure the alcohol content of white wines,demonstrating the great potential for practical applications of QD NIR spectrometers.
