The effect of a novel active nucleating agent(TBC8-eb) on the isothermal crystallization of poly(L-lactic acid) (PLLA) was studied by differential scanning calorimetry(DSC) and Fourier transform infrared spectroscopy(...The effect of a novel active nucleating agent(TBC8-eb) on the isothermal crystallization of poly(L-lactic acid) (PLLA) was studied by differential scanning calorimetry(DSC) and Fourier transform infrared spectroscopy(FTIR) . The analysis on kinetics demonstrates that TBC8-eb can not only accelerate the crystallization rate but also transform most of the original spherulite crystals of PLLA into sheaf-like crystals. Furthermore,the free energy of folding(σe) of PLLA and PLLA with TBC8-eb is 0.15 and 0.06 J·m-2,respectively,which suggests that the addition of TBC8-eb favors the regular folding of molecule chains in the crystallization of PLLA,improv-ing its crystallization rate. The FTIR results show that TBC8-eb can accelerate the conformational ordering of PLLA in the isothermal crystallization. The conformational ordering of PLLA nucleated with TBC8-eb begins with the interchain interaction of CH3,and then a short helix emerges where a couple of CH3 groups interact.展开更多
A novel method for on-site determination of trace iron was developed using membrane preconcentration and spectrophotometric detection. Fe（II）-ferrozine complex was reacted with cetyltrimethylammonium bromide （CTAB...A novel method for on-site determination of trace iron was developed using membrane preconcentration and spectrophotometric detection. Fe（II）-ferrozine complex was reacted with cetyltrimethylammonium bromide （CTAB） to form a Fe（II）-ferrozine-CTAB paired compound, which was collected on a membrane by filtration under vacuum. The membrane was immersed in 2 mL of ethanol-nitric acid and the absorbance of the solution measured for quantitative analysis. Various factors affecting the iron collection and determination were investigated. With different sample preconcentration volumes, the range of determination was broadened to 0.5-120 ~tg/L. The detection limit of this method reached 0.19 ktg/L and the recoveries were between 97.2 and 109% when the concentration enrichment was about 45. The relative standard deviation （n = 7） was 1.9% for samples containing 10 ~g/L Fe. Twelve seawater samples were analyzed on-site using the proposed method, and two were also analyzed in inductively coupled plasma mass spectrometry. No significant difference was shown between the two methods by the Student＇s t-test. The method has also been used on-site for iron enrichment experiments with phytoplankton and concluded to be simple, accurate and inexpensive.展开更多
In order to differentiate regions, varieties, and parts of tobacco leaves, two pattern recognition methods through pattern classification modeling were developed based on the comprehensive information of ultraviolet-v...In order to differentiate regions, varieties, and parts of tobacco leaves, two pattern recognition methods through pattern classification modeling were developed based on the comprehensive information of ultraviolet-visible spectroscopy （UV-VIS） by employing one-way analysis of variance （ANOVA1） and wave range random combination （WRRC） technology from MATLAB. This proposed classification method has never been reported previously and the instrument and operation for this method is much more convenient and efficient than previous reported classification methods. The result of this paper demonstrated that the spectral features extracted by ANOVAI and WRRC methods could be used to differentiate tobacco leaves with different patterns. The ANOVAI method had a training recognition rate range of 75.00-87.50%,4 and a validation recognition rate range of 57.14-100%. The WRRC method had a training recognition rate range of 75.00-94.12% and a validation recognition rate range of 66.67-100%. The ANOVAI method is more convenient and efficient in model developing, while the WRRC method utilizes fewer model variables and is more robust.展开更多
Consensus methods have presented promising tools for improving the reliability of quantitative models in near-infrared(NIR) spectroscopic analysis.A strategy for improving the performance of consensus methods in multi...Consensus methods have presented promising tools for improving the reliability of quantitative models in near-infrared(NIR) spectroscopic analysis.A strategy for improving the performance of consensus methods in multivariate calibration of NIR spectra is proposed.In the approach,a subset of non-collinear variables is generated using successive projections algorithm(SPA) for each variable in the reduced spectra by uninformative variables elimination(UVE).Then sub-models are built using the variable subsets and the calibration subsets determined by Monte Carlo(MC) re-sampling,and the sub-model that produces minimal error in cross validation is selected as a member model.With repetition of the MC re-sampling,a series of member models are built and a consensus model is achieved by averaging all the member models.Since member models are built with the best variable subset and the randomly selected calibration subset,both the quality and the diversity of the member models are insured for the consensus model.Two NIR spectral datasets of tobacco lamina are used to investigate the proposed method.The superiority of the method in both accuracy and reliability is demonstrated.展开更多
基金Supported by the National Natural Science Foundation of China （20876042） Program of Shanghai Subject Chief Scientist （10XD1401500） Research Fund for the Doctoral Program of Higher Education of China
文摘The effect of a novel active nucleating agent(TBC8-eb) on the isothermal crystallization of poly(L-lactic acid) (PLLA) was studied by differential scanning calorimetry(DSC) and Fourier transform infrared spectroscopy(FTIR) . The analysis on kinetics demonstrates that TBC8-eb can not only accelerate the crystallization rate but also transform most of the original spherulite crystals of PLLA into sheaf-like crystals. Furthermore,the free energy of folding(σe) of PLLA and PLLA with TBC8-eb is 0.15 and 0.06 J·m-2,respectively,which suggests that the addition of TBC8-eb favors the regular folding of molecule chains in the crystallization of PLLA,improv-ing its crystallization rate. The FTIR results show that TBC8-eb can accelerate the conformational ordering of PLLA in the isothermal crystallization. The conformational ordering of PLLA nucleated with TBC8-eb begins with the interchain interaction of CH3,and then a short helix emerges where a couple of CH3 groups interact.
基金Supported by State Key Laboratory of Marine Environmental Science(MEL)Funds(No.MELRI1001)
文摘A novel method for on-site determination of trace iron was developed using membrane preconcentration and spectrophotometric detection. Fe（II）-ferrozine complex was reacted with cetyltrimethylammonium bromide （CTAB） to form a Fe（II）-ferrozine-CTAB paired compound, which was collected on a membrane by filtration under vacuum. The membrane was immersed in 2 mL of ethanol-nitric acid and the absorbance of the solution measured for quantitative analysis. Various factors affecting the iron collection and determination were investigated. With different sample preconcentration volumes, the range of determination was broadened to 0.5-120 ~tg/L. The detection limit of this method reached 0.19 ktg/L and the recoveries were between 97.2 and 109% when the concentration enrichment was about 45. The relative standard deviation （n = 7） was 1.9% for samples containing 10 ~g/L Fe. Twelve seawater samples were analyzed on-site using the proposed method, and two were also analyzed in inductively coupled plasma mass spectrometry. No significant difference was shown between the two methods by the Student＇s t-test. The method has also been used on-site for iron enrichment experiments with phytoplankton and concluded to be simple, accurate and inexpensive.
文摘In order to differentiate regions, varieties, and parts of tobacco leaves, two pattern recognition methods through pattern classification modeling were developed based on the comprehensive information of ultraviolet-visible spectroscopy （UV-VIS） by employing one-way analysis of variance （ANOVA1） and wave range random combination （WRRC） technology from MATLAB. This proposed classification method has never been reported previously and the instrument and operation for this method is much more convenient and efficient than previous reported classification methods. The result of this paper demonstrated that the spectral features extracted by ANOVAI and WRRC methods could be used to differentiate tobacco leaves with different patterns. The ANOVAI method had a training recognition rate range of 75.00-87.50%,4 and a validation recognition rate range of 57.14-100%. The WRRC method had a training recognition rate range of 75.00-94.12% and a validation recognition rate range of 66.67-100%. The ANOVAI method is more convenient and efficient in model developing, while the WRRC method utilizes fewer model variables and is more robust.
基金supported by the National Natural Science Foundation of China (20835002)
文摘Consensus methods have presented promising tools for improving the reliability of quantitative models in near-infrared(NIR) spectroscopic analysis.A strategy for improving the performance of consensus methods in multivariate calibration of NIR spectra is proposed.In the approach,a subset of non-collinear variables is generated using successive projections algorithm(SPA) for each variable in the reduced spectra by uninformative variables elimination(UVE).Then sub-models are built using the variable subsets and the calibration subsets determined by Monte Carlo(MC) re-sampling,and the sub-model that produces minimal error in cross validation is selected as a member model.With repetition of the MC re-sampling,a series of member models are built and a consensus model is achieved by averaging all the member models.Since member models are built with the best variable subset and the randomly selected calibration subset,both the quality and the diversity of the member models are insured for the consensus model.Two NIR spectral datasets of tobacco lamina are used to investigate the proposed method.The superiority of the method in both accuracy and reliability is demonstrated.
