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Vibrational Spectroscopy Of Photosystem I, Gary Hastings
Vibrational Spectroscopy Of Photosystem I, Gary Hastings
Physics and Astronomy Faculty Publications
Fourier transform infrared difference spectroscopy (FTIR DS) has beenwidely used to study the structural details of electron transfer cofactors (and their binding sites) in many types of photosynthetic protein complexes. This review focuses in particular onwork that has been done to investigate the A1 cofactor in photosystemI photosynthetic reaction centers. A reviewof this subject area last appeared in 2006 [1], so onlywork undertaken since then will be covered here. Following light excitation of intact photosystem I particles the P700+A1 \ secondary radical pair state is formed within 100 ps. This state decays within 300 ns at room temperature, or 300 …
Comparison Of Calculated And Experimental Isotope Edited Ftir Difference Spectra For Purple Bacterial Photosynthetic Reaction Centers With Different Quinones Incorporated Into The Qa Binding Site, Nan Zhao, Hari Prasad Lamichhane, Gary Hastings
Comparison Of Calculated And Experimental Isotope Edited Ftir Difference Spectra For Purple Bacterial Photosynthetic Reaction Centers With Different Quinones Incorporated Into The Qa Binding Site, Nan Zhao, Hari Prasad Lamichhane, Gary Hastings
Physics and Astronomy Faculty Publications
Previously we have shown that ONIOM type (QM/MM) calculations can be used to simulate isotope edited FTIR difference spectra for neutral ubiquinone in the QA binding site in Rhodobacter sphaeroides photosynthetic reaction centers. Here we considerably extend upon this previous work by calculating isotope edited FTIR difference spectra for reaction centers with a variety of unlabeled and 18 O labeled foreign quinones incorporated into the QA binding site. Isotope edited spectra were calculated for reaction centers with 2,3-dimethoxy-5,6-dimethyl-1,4-benzoquinone (MQ0 ), 2,3,5,6-tetramethyl-1, 4-benzoquinone (duroquinone, DQ), and 2,3-dimethyl-l,4-naphthoquinone (DMNQ) incorporated, and compared to corresponding experimental spectra. The calculated and experimental spectra agree …
Some Contributions In Statistical Discrimination Of Different Pathogens Using Observations Through Ftir, Dongmei Wang
Some Contributions In Statistical Discrimination Of Different Pathogens Using Observations Through Ftir, Dongmei Wang
Mathematics Theses
Fourier Transform Infrared (FTIR) has been use to discriminate different pathogens by signals from cells infected with these versus normal cells as references. To do the statistical analysis, Partial Least Square Regression (PLSR) was utilized to distinguish any two kinds of virus‐infected cells and normal cells. Validation using Bootstrap method and Cross‐validations were employed to calculate the shrinkages of Area Under the ROC Curve (AUC) and specificities corresponding to 80%, 90%, and 95% sensitivities. The result shows that our procedure can significantly discriminate these pathogens when we compare infected cells with the normal cells. On the height of this success, …
An Analysis Of Fourier Transform Infrared Spectroscopy Data To Predict Herpes Simplex Virus 1 Infection, Patrick D. Champion
An Analysis Of Fourier Transform Infrared Spectroscopy Data To Predict Herpes Simplex Virus 1 Infection, Patrick D. Champion
Mathematics Theses
The purpose of this analysis is to evaluate the usefulness of Fourier Transform Infrared (FTIR) spectroscopy in the detection of Herpes Simplex Virus 1 (hsv1) infection at an early stage. The raw absorption values were standardized to eliminate inter-sampling error. Wilcoxon-Mann-Whitney (WMW) statistic's Z score was calculated to select significant spectral regions. Partial least squares modeling was performed because of multicollinearity. Kolmogorov-Smirnov statistic showed models for healthy tissues from different time groups were not from same distribution. The additional 24 hour dataset was evaluated using the following methods. Variables were selected by WMW Z score. Difference of Composites statistic, DC, …