“…Notably, the maximum reaction rate of HRP@Al-MCM-41(H) was increased from 2.886 × 10(5) (free enzyme) to 5.896 × 10(5) U/min(–1), and its half-life at 50 °C was increased from 745.17 to 1968.02 min; the thermal stability of the immobilized enzyme was also significantly improved. …”
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“…While it is commonplace to extract free-energy profiles from molecular trajectories, a direct evaluation of friction is far more elusive and typically relies on fits of measured reaction rates to memoryless reaction-rate theories. Here, using memory-kernel extraction methods founded on a generalized Langevin equation (GLE) formalism, we directly calculate the time-dependent friction acting on the fraction of native contacts reaction coordinate Q, evaluated for eight fast-folding proteins, taken from a published set of large-scale molecular dynamics protein simulations. …”
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“…So that, leads to changes in thermodynamic parameters such as an increase in the reaction rate constant and a decrease in activation energy, enthalpy and enthalpy. …”
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“…The counterplay between these two effects leads to a maximum in the reaction rate. The power consumption monotonously increased as the temperature decreased. …”
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“…In comparison with other samples, samples treated with flaxseed protein showed the lowest reaction rate constant during chilled and frozen storage. …”
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“…Moreover, the corresponding reaction rate constant (K(a)) was up to 0.02007 min(−1). …”
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“…It significantly reduced the gasification reaction rate of coke in the CO(2) and H(2)O atmospheres. …”
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“…It was found that high temperatures improved the reaction rate and efficiency at the beginning (1–15 min) but reduced the final leaching efficiency of potassium. …”
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“…Catalyst supports simulating stochastic chemical kinetics (jump process), chemical Langevin equation (stochastic differential equation), and reaction rate equation (ordinary differential equation) representations for CRNs. …”
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“…The hydration reaction of γ-C(2)S slurry activated with chemical activators (NaHCO(3), NaOH, K(2)CO(3), and KOH at 1 mol/L) was enhanced by 1% nano-SiO(2). The hydrate reaction rate was determined by isothermal calorimetry, and the hydrated samples were characterized by XRD, TGA/DTG, SEM-EDS, and (29)Si MAS/NMR. …”
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“…The experimental results show that the pseudo-first-order reaction rate constants for Co(3)O(4) nanostructures with various shapes are, respectively, 1.49 min(−1) (nanoplates), 1.40 min(−1) (microflowers), 0.78 min(−1) (nanorods) and 0.23 min(−1) (nanocubes). …”
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“…The deoxygenation reaction rate constants increased as Ni/SBA-15 < Ni/Ti-SBA-15 < Ni/Nb-SBA-15 < Ni/Zr-SBA-15 < Ni/Al-SBA-15, which is attributed to the increase in the amount and strength of acid sites, especially of the Brønsted ones, which promotes the cleavage of the C–O bond. …”
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“…Interestingly, the bis-aptazymes which comprise the two aptamer-binding sites at both stem I and stem III of the hammerhead ribozyme showed very low blank signals, and their ratios of reaction rate constants, i.e. signal to noise ratios, were several tens to hundred times higher than those of the stem II-conjugated bis-aptazymes. …”
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“…Our free energy simulation results revealed that the ‘in-line attack’ conformational effect plays a modest role in facilitating the reaction rate enhancement (∼12-fold) compared with the overall 10(12)-fold rate increase. …”
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“…Instead, the results are consistent with the prediction of the affinity conversion model that assumes association of IL-2 to the L chain as the first step of the ternary complex formation and they indicate that the possible role of excess L chains is to accelerate the formation of the ternary complex. The reaction rate constants calculated from the affinity conversion model were reasonably constant.…”
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“…RESULTS: Specific issues affecting the analysis and interpretation of simulation data are investigated, including: (1) the effect of time interval on data presentation and time-weighted averaging of molecule numbers, (2) effect of time averaging interval on reaction rate analysis, (3) effect of number of simulations on precision of model predictions, and (4) implications of stochastic simulations on optimization procedures. …”
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“…These values allow estimation of the significance of change for each reaction rate between different conditions and comparison of it with the significance of change in gene transcription for the corresponding enzymes. …”
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“…For the reactivity of dopamine toward hydroxyl radicals, in water at physiological pH, the main mechanism of the reaction is proposed to be the sequential electron proton transfer (SEPT), whereas in the lipidic environment, hydrogen atom transfer (HAT) and radical adduct formation (RAF) pathways contribute almost equally to the total reaction rate. In both environments, dopamine reacts with hydroxyl radicals at a rate that is diffusion-controlled. …”
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“…Following the Brønsted–Evans–Polanyi (BEP) relation, we show that the binding energy can reasonably predict the reaction rates of p-nitrophenol reduction. We demonstrate that the measured reaction rate constants of the bimetallic DENs is not always a simple average of the properties of the constituent metals. …”
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“…Essential to the study is the use of a hyperbolic coordinate system, which greatly facilitates quantification of how the various reaction rate combinations shape the noise behavior of the Tat protein feedback system. …”
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