In this paper, we proposed a novel resolution criterion（improved calibrated normalized resolution product, r＊＇） to evaluate separation quality of fingerprints. By comparing with the calibrated normalized resolutio...In this paper, we proposed a novel resolution criterion（improved calibrated normalized resolution product, r＊＇） to evaluate separation quality of fingerprints. By comparing with the calibrated normalized resolution product（r＊） and the hierarchical chromatographic response function（HCRF）, the validity of this criterion was demonstrated by experimental chromatograms. The soy isoflavone extract was selected as the analytical object. The initial and end percentages of methanol and elution time affecting gradient elution were tested by orthogonal design. The final optimized conditions were as follows. It was detected by UV absorbance at 254 nm, column temperature was maintained at 36 oC, solvent A was 0.1%（v/v） acetic acid, solvent B was methanol, gradient elution was from 34% to 65% B in a linear gradient in 25 min, and the flow-rate was set at 1.0 m L/min. In addition, the main ingredients of the soy isoflavone extract were confirmed by LC-ESI/MS.展开更多
Under the conditions of constant temperature and pressure,different influences of samples with different chemical components on the mechanism of nonlinear chemical reaction will cause different changes of the potentia...Under the conditions of constant temperature and pressure,different influences of samples with different chemical components on the mechanism of nonlinear chemical reaction will cause different changes of the potential-time relationship curve of the nonlinear chemical reaction system.Using it as the character,and using the B-Z nonlinear chemical system to use acetone and substrates in samples as main dissipative substances qua an example,the principle of nonlinear chemical fingerprint has been researched and discussed in detail.At the same time,the general method for calculating the system similarity about nonlinear chemical fingerprint was also put forward,and similarities of nonlinear chemistry fingerprints of different batches of Guhan Yangshengjing and 18 sorts of other samples were calculated by Euclidean distance,correlation coefficient,included angle cosine and system similarity,at the same time,the various similarities were analyzed.The results showed that,both of correlation coefficient and included angle cosine are unable to be used as the criterion for quantitatively evaluating the similarity of nonlinear chemistry fingerprint;as non-parametric similarity,Euclidean distance can accurately reflect the feature differences in the fingerprints,but as parametric similarity,sometimes,Euclidean distance can not accurately reflect the relative extent of characteristic difference in the nonlinear chemical fingerprints;system similarity can most truthfully reflect the characteristic difference in the nonlinear chemical fingerprints,and is the best evaluating method among the four ones.Therefore,system similarity can be used to quantitatively calculate the similar extent between the nonlinear chemical fingerprints.An economical,simple and convenient,easy pushing and effective method for identifying and evaluating complicated samples has successfully been put forward.展开更多
基金National Higher-Education Institution General Research and Development Funding(Grant No.JKP2011010)
文摘In this paper, we proposed a novel resolution criterion（improved calibrated normalized resolution product, r＊＇） to evaluate separation quality of fingerprints. By comparing with the calibrated normalized resolution product（r＊） and the hierarchical chromatographic response function（HCRF）, the validity of this criterion was demonstrated by experimental chromatograms. The soy isoflavone extract was selected as the analytical object. The initial and end percentages of methanol and elution time affecting gradient elution were tested by orthogonal design. The final optimized conditions were as follows. It was detected by UV absorbance at 254 nm, column temperature was maintained at 36 oC, solvent A was 0.1%（v/v） acetic acid, solvent B was methanol, gradient elution was from 34% to 65% B in a linear gradient in 25 min, and the flow-rate was set at 1.0 m L/min. In addition, the main ingredients of the soy isoflavone extract were confirmed by LC-ESI/MS.
基金supported by the National Key Technologies R & D Program (2009GJD20033)the International Scientific and Technological Cooperation Project from Chinese Ministry of Science and Technology (2007DFA40680)
文摘Under the conditions of constant temperature and pressure,different influences of samples with different chemical components on the mechanism of nonlinear chemical reaction will cause different changes of the potential-time relationship curve of the nonlinear chemical reaction system.Using it as the character,and using the B-Z nonlinear chemical system to use acetone and substrates in samples as main dissipative substances qua an example,the principle of nonlinear chemical fingerprint has been researched and discussed in detail.At the same time,the general method for calculating the system similarity about nonlinear chemical fingerprint was also put forward,and similarities of nonlinear chemistry fingerprints of different batches of Guhan Yangshengjing and 18 sorts of other samples were calculated by Euclidean distance,correlation coefficient,included angle cosine and system similarity,at the same time,the various similarities were analyzed.The results showed that,both of correlation coefficient and included angle cosine are unable to be used as the criterion for quantitatively evaluating the similarity of nonlinear chemistry fingerprint;as non-parametric similarity,Euclidean distance can accurately reflect the feature differences in the fingerprints,but as parametric similarity,sometimes,Euclidean distance can not accurately reflect the relative extent of characteristic difference in the nonlinear chemical fingerprints;system similarity can most truthfully reflect the characteristic difference in the nonlinear chemical fingerprints,and is the best evaluating method among the four ones.Therefore,system similarity can be used to quantitatively calculate the similar extent between the nonlinear chemical fingerprints.An economical,simple and convenient,easy pushing and effective method for identifying and evaluating complicated samples has successfully been put forward.
