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- Ma, Xinyou, et al. Show all 3 Authors
- Biochimica et biophysica acta 2019 v.1860 no.8 pp. 679-687
- Escherichia coli; H+/K+-exchanging ATPase; H-transporting ATP synthase; catalytic activity; energy; energy metabolism; glutamine; hydrogen bonding; hydrolysis; moieties; molecular dynamics; mutants; mutation; simulation models
- ... Functioning as a nanomotor, ATP synthase plays a vital role in the cellular energy metabolism. Interactions at the rotor and stator interface are critical to the energy transmission in ATP synthase. From mutational studies, we found that the γC87K mutation impairs energy coupling between proton translocation and nucleotide synthesis/hydrolysis. An additional glutamine mutation at γR242 (γR242Q) ca ...
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- Ma, Xinyou, et al. Show all 6 Authors
- Journal of physical chemistry 2018 v.122 no.17 pp. 9578-9585
- Fourier transform infrared spectroscopy; electric field; electrolytes; electromagnetic field; germanium; isotropy; models; physical chemistry; polymers; silicon
- ... Orientational ordering within nanoscale (70–8 nm) thickness fluorinated ionomer films on Si substrates was investigated through the use of attenuated total reflection Fourier transform infrared (ATR–FTIR) spectroscopy in conjunction with electromagnetic field calculations. A spectral model was developed for Nafion thin films across the 1400–950 cm–¹ region from frequency-dependent, isotropic optic ...
- Ma, Xinyou, et al. Show all 5 Authors
- Journal of the American Chemical Society 2017 v.139 no.10 pp. 3570-3590
- chemical reactions; energy; mass spectrometry; prediction
- ... In a direct dynamics simulation, the technologies of chemical dynamics and electronic structure theory are coupled so that the potential energy, gradient, and Hessian required from the simulation are obtained directly from the electronic structure theory. These simulations are extensively used to (1) interpret experimental results and understand the atomic-level dynamics of chemical reactions; (2) ...