Teicoplanin(TCP)is an important lipoglycopeptide antibiotic produced by fermenting Acti-noplanes teichomyceticus.The change in TCP concentration is important to measure in the fermentation process.In this study,a reag...Teicoplanin(TCP)is an important lipoglycopeptide antibiotic produced by fermenting Acti-noplanes teichomyceticus.The change in TCP concentration is important to measure in the fermentation process.In this study,a reagent-free and rapid quantification method for TCP in the TCP-Tris-HCl mixture samples was developed using near infrared(NIR)spectroscopy by focusing our attention on the fermentation process for TCP.The absorbance optimization(AO)partial least squares(PLS)was proposed and integrated with the moving window(MW)PLS,which is called AO-MW-PLS method,to select appropriate wavebands.Amodel set that includes various wavebands that were equivalent to the optimal AO-MW-PLS waveband was,proposed based on statistical considerations.The public region of all equivalent wavebands was just one of the equivalent wavebands.The obtained public regions were 1540-1868 nm for TCP and 1114-1310 nm for Tris.The root-mean-square error and correlation coeficient for leave-one-out cross validation were 0.046 mg mL^(-1)and 0.9998 mg mL^(-1)for TCP,and 0.235 mg mL^(-1)and 0.9986 mg mL^(-1)for Tris,respectively.All the models achieved highly accurate prediction effects,and the selected wavebands provided valuable references for designing specialized spectrometers.This study provided a valuable reference for further application of the proposed methods to TCP fermentation broth and to other spectroscopic analysis fields.展开更多
The selection of stable wavebands for the near-infrared(NIR)spectroscopic analysis of total nitrogen(TN)in soil was accomplished by using an improved moving window partial leastsquares(MWPLS)method.A new modeling appr...The selection of stable wavebands for the near-infrared(NIR)spectroscopic analysis of total nitrogen(TN)in soil was accomplished by using an improved moving window partial leastsquares(MWPLS)method.A new modeling approach was performed based on randomness,similarity and stability,which produced an objective,stable and practical model.Based on the MWPLS method,a search was in the overali scanning region from 400 to 2498 nm,and the optimal waveband was identified to be 1424 to 282 nm.A model space that includes 41 wave-bands that are equivalent to the optimal waveband was then proposed.The public range of the 41equivalent optimal wavebands was 1590 to 1870 nm,which contained suficient TN information.The wavebands of 1424 to 2282 nm,1590 to 1870nm,and the long NIR region 1100 to 2498 nmall achieved satisfactory validation ffects.However,the public waveband of 1590 to 1870 nm hadonly a minimum number of wavelengths,which significantly reduced the method complexity.Various equivalent wavebands serve as guidelines for designing spect roscopic instruments.Thesewavebands could address the restrictions of position and the number of wavelengths in instru-ment design.展开更多
基金the Science and Tech-nology Project of Guangdong Province of China,(Nos.2014A020213016 and 2014A020212445)the Science and Technology Project of Guangzhou of China(No.2011Y5-00002).
文摘Teicoplanin(TCP)is an important lipoglycopeptide antibiotic produced by fermenting Acti-noplanes teichomyceticus.The change in TCP concentration is important to measure in the fermentation process.In this study,a reagent-free and rapid quantification method for TCP in the TCP-Tris-HCl mixture samples was developed using near infrared(NIR)spectroscopy by focusing our attention on the fermentation process for TCP.The absorbance optimization(AO)partial least squares(PLS)was proposed and integrated with the moving window(MW)PLS,which is called AO-MW-PLS method,to select appropriate wavebands.Amodel set that includes various wavebands that were equivalent to the optimal AO-MW-PLS waveband was,proposed based on statistical considerations.The public region of all equivalent wavebands was just one of the equivalent wavebands.The obtained public regions were 1540-1868 nm for TCP and 1114-1310 nm for Tris.The root-mean-square error and correlation coeficient for leave-one-out cross validation were 0.046 mg mL^(-1)and 0.9998 mg mL^(-1)for TCP,and 0.235 mg mL^(-1)and 0.9986 mg mL^(-1)for Tris,respectively.All the models achieved highly accurate prediction effects,and the selected wavebands provided valuable references for designing specialized spectrometers.This study provided a valuable reference for further application of the proposed methods to TCP fermentation broth and to other spectroscopic analysis fields.
基金supported by National Natural Science Foundation of China(No.61078040)Open Foundation of State Key Laboratory of Soil and Sustainable Agriculture(Institute of Soil Science+1 种基金Chinese Academy of Sciences,No.0812201201)the Science and Technology Project of Guangdong Province(No.2012B031800.917).
文摘The selection of stable wavebands for the near-infrared(NIR)spectroscopic analysis of total nitrogen(TN)in soil was accomplished by using an improved moving window partial leastsquares(MWPLS)method.A new modeling approach was performed based on randomness,similarity and stability,which produced an objective,stable and practical model.Based on the MWPLS method,a search was in the overali scanning region from 400 to 2498 nm,and the optimal waveband was identified to be 1424 to 282 nm.A model space that includes 41 wave-bands that are equivalent to the optimal waveband was then proposed.The public range of the 41equivalent optimal wavebands was 1590 to 1870 nm,which contained suficient TN information.The wavebands of 1424 to 2282 nm,1590 to 1870nm,and the long NIR region 1100 to 2498 nmall achieved satisfactory validation ffects.However,the public waveband of 1590 to 1870 nm hadonly a minimum number of wavelengths,which significantly reduced the method complexity.Various equivalent wavebands serve as guidelines for designing spect roscopic instruments.Thesewavebands could address the restrictions of position and the number of wavelengths in instru-ment design.