The Oretical Studies Of Two-dimensional Spectrum For Traditional Chinese Medicine

Laser spectrumdetection technology has been widelyapplied to modernphysical experiments,It is very important for detecting the material microstructureand motionprocess, Generalspectroscopytechnology includes nuclear magnetic resonance (NMR), one dimensional infraredspectroscopy, two-dimensional infrared spectroscopy, two-dimensional femtosecond spectroscopyand so on. These corresponding theoretical studies for thembecome particularly important. Thisarticle is based on two kinds ofdifferent spectrumtheories and a lot ofwork are finished.The first chapter is the part ofthe introductionabout theories, and the basic knowledge aboutnonlinear spectroscopy is introduced in this chapter. This chapter firstly introduced thedevelopment ofthe nonlinear spectroscopytheory, then the nonlinear opticalresponse is illustrated,finallythe fluctuations ofexciton Hamiltonian of molecular polymeride are presented. Theintroduction provides a foundation fortheories inthe next chapter.The second chapter firstly introducesone kind oftwo-dimensional nonlinear spectraltheories.It is the cumulant expansion theory for Gaussian fluctuation, this theorycontains two cases, one isthe case ofdiagonalHamiltonian fluctuation and another one is the case ofoff-diagonalHamiltonian fluctuation. Different questiones can be solved byusing the two cases. Then, we usethetheoryofthe cumulant expansion to studytraditional Chinese medicine squama manitis.Because Chinese medicine squama manitis is mixture, we will assume the effective drugs group tobe different normal mode, and there is interaction between the normal modes. Byanalyzing theone-dimensional linear spectroscopyofthe Chinese medicine squama manitis, we obtain theHamiltonian ofnormal models, and apply the cumulant expansion theoryto the calculation ofHamiltonian. We can get the expression ofthe optical response which is about Chinese medicinesquama manitis, and use the computer to simulatethetwo-dimensional nonlinear spectroscopyofthis traditionalChinese medicine. These simulations are agreement with the experiment spectrumswhich are obtained bythe professor Sun Suqin ofQinghua university, and we get someinformation about structureofthis traditional Chinese medicine, these information include theenergy value and dipole distribution ofnormal modes.The third chapter introduces another nonlinear spectroscopytheorywhich is the nonlinearexciton equation theory. This theory is different from the cumulant expansion theory. It do notsolve questions bycalculating Hamiltonian, but solve questions by calculating the exciton operators, this method reducesthe number ofcalculation. After introducing thetheory, we firstlystudythe traditional Chinese medicine cordyceps sinensis byusing the method ofnonlinear excitonequation. We obtain the energy value ofHamiltonian about normal modes byanalyzing the one-dimensional linear spectroscopyofthe traditional Chinese medicine, and get the expression oftheopticalresponse in time bythe method ofnonlinear exciton equations, and the figures ofthe opticalresponse in frequencycan be obtained by fourier transformation. Byusing OriginPro, we get fivepicturesoftwo-dimensional simulation spectroscopy, and analyze these spectroscopy in detail.Finally, we simulatethe experiment spectroscopyot the traditionalChinese medicine driedtangerine peel bythe method ofnonlinear exciton equations, and obtain two picturesoftwo-dimensional spectrogramand two pictures ofthree-dimensional spectrogram. The theoryresearchresults oftraditional Chinese medicine dried tangerine peelare good agreement with theexperimentalspectra, and the information ofstructureobtained by simulating can be helpful forstudying the traditional Chinese medicine. It proves that nonlinear spectroscopytheories can beapplied to studythetraditionalChinese medicine in different energy levelat the same time. Thisalso provides a new train ofthought for scientific research oftraditionalChinese medicine in ourcountry.The fourth chapter is the part ofoutlook and summary, It summarizes the resultofapplicationabout two kinds ofnonlinear spectroscopytheories, and presentsthe outlook that these theories areapplied to thetraditional Chinese medicine.