Evolutionary Algorithms In Application Of Absorption Spectroscopy And Electrochemical Analysis

It has been about 30 years since the Chemometrics emerged ,its development will bring about deeply effect on analytical chemistry.Evolutionary Computation is a parallel problem solver which used ideas and gets inspirations from natural evolutionary processes. When the parameters of models were solved by evolutionary algorithm,the accuate optimal results of parameters still were obtained even if the initial estimated values are far from the true value of the parameters,so this method is suitable to determine the parameters in analytical chemistry models.In this work,we have studied the applications of this method in absorption spectra and electronic-analytical chemistry.The main results are as followings.Firstly,the absorption spectra of the multicomponent mixtures,such as Cu2+> Co2+, Ni2+, Cr3+;Fe3+, Al3+, Sc3+,and the rare earths were solved by evolutionary algorithm,the algorithm results indicate that the single element content in mixtures can be measured directly,indicating that the algorithm is an effective technique in simultaneous spectrophotometric determination.Secondly,the polarograms of Cd2+, Ni2+ mixture were measured through the use of Linear Sweep Polarography(LSP),the data were solved by evolutionary algorithm,the calculation show that satisfactory results can be obtained in mixtures with different concentration ratio,which suggest that it is feasible for the analysis of the mixture systems with overlapping greatly spectra by this programming method.Thirdly,the binding constants in ligand's competition system were studied by LSP.In the creating model,Pb2+ ion served as indicative ion,the binding constants of Cd2+-NTA,La3+-NTA, Zn2+-NTA, Co2+-NTA were analyziedby evolutionary algorithm,and the binding constants of Pb2+-EDTA, La3+-EDTA were analyzied by simple ploting method which was derived in model as Cd2+ ion serve as indicative ion.The exeperimental values of the binding constants were in accordance with the literatural values basically.Finally,the binding equilibrum of Pb2+ and Cd2+ to brovine serum albumin(BSA)and other metal ions competitation with Pb2+ or Cd2+ binding to BSA were studied by LSP.The experimental data were solved by evolutionary algorithm.The successive binding constants of Pb2+ to BSA are k1=1.95 105,k2=8.65 104,k3=4.60 104,the successive binding constants of Cd2+ to BSA are k1=5.012 105,k2=6.310 104,k3=3.162 104,k4=1.995 104.Meanwhile,the competition of different metal ions with Pb2+-BSA and Cd2+-BSA were also dissussed according to the binding constants together with Scatchard plot.