The Catalytic Site of Serine Proteinases as a Specific Binding Cavity for Xenon
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A parallel study of the radical-copper enzyme Galactose Oxidase (GOase) and a low mol. wt. analog of the active site (Wang et. al. , Science 279, 537 (1998)) was performed with dynamical d. functional and mixed quantum-classical (QM/MM) calcns. This combin ...
A parallel study of the radical copper enzyme galactose oxidase (GOase) and a low mol. wt. analog of the active site was performed with dynamic d. functional and mixed quantum-classical calcns. This combined approach enables a direct comparison of the prop ...
We report UV and visible mol. ion-pair emission upon 193 nm excitation of I2 in solid xenon. By comparison to mol. emission obsd. in Kr matrixes, it is assigned to the d(2u)->2g (I*+I) and d(2u)->2g (I+I) transitions. The solvation energy of this charge tr ...
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Proceedings of the National Academy of Sciences1999
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We have discovered the ability of Xe-129 NMR spectroscopy to discriminate between the xenon complexes of cryptophane-A1 and its deuterated congeners 2-6 in solution. At 238 K, under slow exchange conditions, the upfield shift experienced by the xenon atom ...
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