Ssingle bondS bond, quantum chemical calculations with MP2(full)/6–311++G(3df,3pd) reveal that when interacting with a single water, ethanol, or n-pentane molecule in the gas phase, the geometry of H2S2 is more rigid (HSSH = 91 ± 3°) than that of H2O2 (HOOH = 112 ± 8°...
Provide the correct molecular geometry for (a), given the number of lone pairs and bonding groups on the central atom. O bent O trigonal planar O trigonal bipyramid O tetrahedral O seesaw O square pyramidal O trigonal pyramidal O octahedral...
For comparison, meso-tetra(4-t-butylphenyl)porphyrin (TtPP), and its zinc complex TtPPZn, were chosen as reference catalysts for DWT-1 and DWT-2, respectively. Blank experiments without catalyst in the presence of H2O2 were also conducted in order to assess the effect of photocatalysts. Upon...
The influence of the silver coordination on the geometry of the P4S3 cage is discussed, additionally aided by DFT calculations. Consequences for the frequently observed degradation of the cage are suggested. An experimental silver ion affinity scale based on the solid-state structures of several weak...
Distributions of bond lengths (top) and angles (bottom) of water molecules in the liquid phase, compared to the optimized geometry of the water molecule in the gas phase. The blue dots and bars indicate the averages and standard deviations. ...
(Fig. 1). It has been implicated that the disulphide formation or over-oxidation depends on the rate of FF to LU transitions. According to the proposed floodgate model, over-oxidation of Prxs facilitates the local accumulation of intracellular H2O2required for signaling events18. Finally, the ...
Despite extensive truncation relative to the cellular GPx gene, the structural core and the geometry of the catalytic triad of selenocysteine, glutamine, and tryptophan are well conserved in the viral GPx. All of the insertions and deletions predicted by the alignment proved to be structurally ...
andsignaltransductionprocesses.NMRisanexcellenttoolforprobingthethree-dimensionalstructureanddynamicsofmanyproteins.However,NMRstructuredeterminationofmetalloproteinstypicallyrequiresapriorknowledgeofthegeometryofthemetalcoordinationsiteowingtoalackofdirectexperimentalmetalion-proteindistancerestraints.Typically,oneimposesrestraints...
Its structural property is very much like MCM 41 with one-dimensional hexagonal lattice geometry. Titanium environment in Ti-MMS is believed to be very uniform relative to other types of titanium substituted M41S type materials, and titanium seems to exist mostly in isolated tetrahedral sites. ...
4, a and b), which confers a different geometry to the T1 copper center. Because CotA contains one methionine in the equivalent position (Fig. 4), the T1 copper site was modeled based on the ZAO structure alone. Note that the available laccase structure is a copper-depleted form in ...