This is attributed to increased hydrogen bonding of the active site imidazolium N-H to the more basic amine leaving group as well as electrostatic destabilization of the transition state. A qualitative characterization of the transition state is presented in terms of a reaction coordinate diagram ...
http://en.wikipedia.org/wiki/File:Rxn_coordinate_diagram_5.PNGWhen examining the spontaneity of a reaction, you need to look at the free energies of the reactants and products. If the free energy of the reactants are higher than the free energy of the products, the reaction is ...
Considering that the structure of the folded state has not changed, these differences should be due to a shift of the transition state in the folding reaction coordinate getting either closer to the folded state (smaller m‡ value; V21→T;F14→N, V54→T;F14→N, V83→T;F14→N, T...
The oxidative addition reactions of C−H and Si−H σ-bonds occur through a planar transition state (TS) structure, in accordance with the expectation from an orbital interaction diagram. However, the oxidative addition reactions of CH3−CH3 and SiH3−CH3 take place through a nonplanar ...
where the reaction coordinatenvaries fromnuin the unfolded state tonfin the folded one. The time to reach a depthnin the funnel is determined from equation 2: This time depends first on the relative probability of being at depthn,P(n), in the funnel compared to being unfolded,Pu. Secondly...
Piezoceramics with nominal composition (0.97-x)K0.50Na0.50Nb0.965Sb0.035O3-0.03(Bi0.5Na0.5)0.9(Ga0.5Li0.5)0.1ZrO3-xBiFeO3(x = 0, 0.002, 0.004, 0.005, 0.006, 0.007 and 0.008) were synthesized using the solid-state reaction route. Raw chemicals Na2CO3(99.8%, Sinopharm, China), K2CO...
In wide (narrow) slits, the coiled state experiences more (less) confinement free energy, and hence the transition becomes easier (more difficult). In addition, we find that the transition becomes less sharp with the decreasing slit height. Here, the sharpness refers to the sensitivity of ...
CaSiO3 and MgSiO3 perovskites are known to undergo solid-state crystal to amorphous transitions near ambient pressure when decompressed from their high-pressure stability fields. In order to elucidate the mechanistic aspects of this transition we have performed detailed molecular-dynamics simulations and ...
albeit not being significant in the eTADs (Fig.3F, Pearson correlationeTADs= −0.691,peTADs= 0.197. Fig. S4D, Pearson correlationEgenes= −0.917,pEgenes= 0.029. Additional file7: Table S5). This suggested that the eTADs adopted a more repressed chromatin state in the M-like cancer ce...
d Ribbon diagram of GP64 in the intermediate state; the coloring scheme is the same as in (c). Protomer A adopts an early intermediate state, while protomers B and C are almost in the prefusion conformation. Full size image Prefusion state structure of GP64 In the prefusion GP64, ...