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1 Gibbs clustering was performed to identify motifs of bin
2 Gibbs energy values calculated for the brines, based on
3 Gibbs free energies of reaction depended on the net char
4 Gibbs free energies of reactions with various free radic
5 Gibbs free energy (DeltaG > 0), enthalpy (DeltaH > 0), a
6 Gibbs free energy (DeltaG(0) = -2.59 kJ mol(-1)), enthal
7 Gibbs free energy changes of reaction were calculated to
8 Gibbs free energy contribution values were estimated for
9 Gibbs sampling was used for Bayesian model inference, wi
12 perativity parameter sigma ~6 x 10(-5) and a Gibbs free energy of unfolding of g(nu) ~100 cal/mol per
18 coefficients are dealt with by developing a Gibbs sampling algorithm to stochastically search throug
19 theory analysis of the adiabatic ET gives a Gibbs energy of activation that is equal to k B T at app
22 biclustering model (BBC), and implemented a Gibbs sampling procedure for its statistical inference.
26 nt of 3(1) x 10(7) M(-1), corresponding to a Gibbs free energy of adsorption of -52.6(8) kJ/mol, and
29 me was found to unfold cooperatively, with a Gibbs free energy of stabilization (DeltaG(0)) of 32 +/-
31 an that of dissociation since the activation Gibbs free energy (DeltaG(*)) was lower for the former (
36 ility, we show that the validity of the Adam-Gibbs relation (relating configurational entropy to stru
38 acterize phenolic OMT activities, we adapted Gibbs' reagent, the dye originally used for detecting ph
40 uctures and association constants (K(a)) and Gibbs free energies of transfer for GLY-humic complex fo
41 ope 0.8, between the activation barriers and Gibbs free energies for these TIM-catalyzed reactions.
44 (a), enthalpies of activation DeltaH( ), and Gibbs energies of activation DeltaG( )) were calculated
49 between ionic potential and the enthalpy and Gibbs free energy of formation for previously measured o
51 whereas the ab initio heats, entropies, and Gibbs free energies of adsorption are used to assess the
52 mic properties such as enthalpy, entropy and Gibbs free energy of dissolution were obtained using exp
53 parameters (change in enthalpy, entropy, and Gibbs free energy) revealed the nature of the main parti
54 es such as the Washburn-Laplace equation and Gibbs-Thomson equation to describe the thermodynamics of
57 activation ranging from 79 to 112 kJ/mol and Gibbs free energies of reaction ranging from -11 to -55
58 activation ranging from 62 to 73 kJ/mol, and Gibbs free energies of reaction ranging from -23 to -38
59 escence unfolding curves of [D]50 values and Gibbs free energy correlate well with each other and mor
64 ine factor binding sites by using a Bayesian Gibbs sampling algorithm and an extensive protein locali
66 onducting multiple linear regression between Gibbs free energy of sorption and Abraham descriptors fo
70 is paper we start by reviewing how Boltzmann-Gibbs-Shannon entropy is related to multiplicities of in
76 ual steps in the model were characterized by Gibbs free energies for the equilibria and activation en
79 examined the relationship between calculated Gibbs free energies of the cluster formation and experim
82 n states, but on the basis of the calculated Gibbs free energy a +II/+IV mechanism can be excluded.
89 predicted stereoselectivities using computed Gibbs free energies of diastereomeric transition states
90 en the phospholipid forms a liquid-condensed Gibbs monolayer, which is the case for dipalmitoylphosph
93 E) models with unweighted and weighted data, Gibbs and Metropolis-Hasting (MH) sampling algorithms, w
94 3) possesses a thermal neutral and desirable Gibbs free energy of hydrogen for HER, ascribed to the t
95 inorganic phosphate, adenosine diphosphate, Gibbs free energy of ATP hydrolysis (DeltaGATP), phospho
96 e Carlo sampling and, in particular, discuss Gibbs sampling and Metropolis random walk algorithms wit
97 w that it is less than the ideal work (i.e., Gibbs free energy of mixing) due to inefficiencies intri
100 c function in terms of dissolution enthalpy, Gibbs energy and dissolution entropy showed endothermic,
101 otic equilibrium simultaneously to establish Gibbs-Donnan equilibrium in a polyelectrolyte-directed m
106 (2+), Br(-)](+*) was due to a less favorable Gibbs free energy change for electron transfer that resu
107 ligands generally bound with more favorable Gibbs energies than their flexible controls, but this in
109 NO3(-), SO4(2-), Na(+), and NH4(+) and find Gibbs free energies of water displacement of -10.9, -22.
110 a and the Ramachandran Psi angle (un)folding Gibbs free energy landscape coordinate of a mainly polya
112 enate into monodentate surface complexes had Gibbs free energies of activation ranging from 62 to 73
113 plexes to bidentate, binuclear complexes had Gibbs free energies of activation ranging from 79 to 112
114 ilizes computed hydrogen atom transfer (HAT) Gibbs free energy instead of E(H)(1) as a predictor was
115 and desorption can be attributed to the high Gibbs free energies of activation for forming and breaki
118 ower must be maximised for a given change in Gibbs energy, in order to perform work such as proton pu
124 thermodynamic binding parameters [changes in Gibbs free energy (DeltaG), enthalpy (DeltaH) and entrop
125 he second complete accounting of the cost in Gibbs free energy of protein transport to be undertaken.
126 attributed to a markedly small difference in Gibbs free energy compared to the known similar class of
127 e; (2) electric-field induced differences in Gibbs free energy of exfoliation; (3) dispersion of MoS2
128 x as represented by a 4 kcal/mol increase in Gibbs free energy for duplex formation at 25 degrees C.
129 ) and vWbp(1-474), with a 30-45% increase in Gibbs free energy, implicating a regulatory role for fra
130 tching of the known nearly Gaussian incoming Gibbs state at the ADC completely determines the predict
132 with N(4)-CMdC in a 12-mer duplex increased Gibbs free energy for duplex formation at 25 degrees C b
135 ible atropisomerization pathways, the lowest Gibbs free activation energy 25.8 kcal/mol was in close
136 aled-particle theory gives the partial molar Gibbs energy of dissolution, Deltag2, allowing calculati
137 d for only 6-18% of the total standard molar Gibbs energy change in the salt concentration range 10-5
138 The PMLs are estimated with a multivariate Gibbs sampler; the liability-scale phenotypic covariance
139 to estimate thermodynamic quantities, namely Gibbs free energy, enthalpy, entropy, and heat capacity,
140 H-S4 was confirmed by both the high negative Gibbs free energy gain, DeltaG = -115.95 kJ/mol, calcula
141 large entropic contribution to the observed Gibbs reaction energies for the Lewis adduct formations
143 ng the last two years, including addition of Gibbs free energy values for compounds and reactions; re
144 ments would benefit from the availability of Gibbs free energy data of chlordecone and its potential
145 27-Mg (Mg-MOF-74), ab initio calculations of Gibbs free energies of adsorption have been performed.
146 C) between predicted and measured changes of Gibbs free-energy gap, DeltaDeltaG, upon mutation reache
147 ntal framework, we employed a combination of Gibbs sampling and linear regression to build a classifi
148 numbers and the convergence efficiencies of Gibbs sampling were calculated and discussed for achievi
150 We describe a modeling strategy based on Gibbs energy minimization that incorporates parameter es
151 crobial biomass (theoretical yield) based on Gibbs free energy and microbially available electrons.
153 olecular electron transfer in MHCF optimizes Gibbs free energy for hydrogen adsorption (DeltaG(H*) )
155 plant type I OMTs, we demonstrated that our Gibbs' reagent-mediated colorimetric assay could reliabl
156 determines the predicted anomalous outgoing Gibbs state, which can be calculated by a simple samplin
157 mitations are linked to an increased overall Gibbs free energy change (DeltaG(Overall)) and a potenti
158 S(double dagger)), with intrinsic oxydianion Gibbs binding free energies that range from -8.4 kcal/mo
166 ting, in vivo, standard transformed reaction Gibbs energy as a function of compartment-specific pH, e
168 n the conformational equilibria and relative Gibbs free energy landscapes along the Ramachandran Psi-
169 launch of the Human Genome Project, Richard Gibbs reflects on the promises that this voyage of disco
170 y in SrCoO(3-delta) is attributed to a small Gibbs free-energy difference between two topotatic phase
171 aerobic processes are characterised by small Gibbs energy changes in the reactions catalysed, and thi
174 tical micellar concentration (CMC), standard Gibbs free energy of micellization (DeltaG(0)mic.) etc.
176 n is that the sign and value of the standard Gibbs energy ( DeltaGr0 ) define the direction and energ
178 is is introduced for estimating the standard Gibbs free energy of formation (Delta(f)G'(o)) and react
179 study function to reduce the standard-state Gibbs free energy of reaction for deprotonation of the w
181 nductivity, carrier mobility, and a suitable Gibbs free energy are important criteria that determine
182 involve bubble profile analysis tensiometry (Gibbs films), Langmuir monolayers and microbubble experi
200 ation, when the ion is held at and above the Gibbs dividing surface, highlight a basic deficiency in
201 eratures, the enthalpy, the entropy, and the Gibbs energy of these reactions, as well as the enhancem
202 the gas-phase NHC-CO2 bond distance and the Gibbs free energy barrier for decarboxylation is demonst
203 s reduces to standard thermodynamics and the Gibbs-Duhem relation, and we show that the First and Sec
205 t exchange, local thermal gradients, and the Gibbs-Thomson effect on the melting points of the convex
206 raditionally been calculated by applying the Gibbs equation to the steep linear decline in surface te
207 Peptide-induced efflux becomes faster as the Gibbs energies for binding and insertion of the tp10 var
211 t peptide translocation is determined by the Gibbs energy of insertion into the bilayer from the memb
215 Two limiting regimes are established by the Gibbs-Thomson effect for thinner nanowires and by surfac
216 e particle size and is well described by the Gibbs-Thomson equation, T(m)(R) = T(m)(bulk) - K(GT)/(R
217 itical nucleus size is well described by the Gibbs-Thomson relation, from which we extract a liquid-c
218 t-guest mutational strategy to calculate the Gibbs free energy changes of water-to-lipid transfer for
219 hain Monte Carlo algorithm that combines the Gibbs sampling algorithm of HapSeq and Metropolis-Hastin
220 tants, the surface equilibrium constant, the Gibbs free energy of adsorption, and the surface coverag
221 and porous carbon electrodes to convert the Gibbs free energy of mixing sea and river water into ele
222 on the regression parameters and derive the Gibbs sampler using the conditional distributions of the
224 5 A of the phosphorylation site--encode the Gibbs free energy of inhibition (DeltaG(inhibition)) for
225 g thermodynamic integration, we estimate the Gibbs free energy of mixing, thereby determining the tem
227 0 enabled calculation of the limits for the Gibbs activation energies for the conversions of compoun
228 the hypernetted chain approximation for the Gibbs free energy, and we find results that are consiste
230 everse electrodialysis (RED) can harness the Gibbs free energy of mixing when fresh river water flows
231 the Cys56-thiol result in an increase in the Gibbs energy barrier of the first thiol-disulfide exchan
233 hybrid material, a discrepancy occurs in the Gibbs free energy leading to a difference in oxidation p
234 r decline, proving that the interface in the Gibbs region is not saturated as generally assumed.
237 that these clamping side chains minimize the Gibbs free energy for substrate deprotonation, and that
238 s energy of binding to the membrane, not the Gibbs energy of insertion, is the primary determinant of
240 (CC) concept, the salt-dependent part of the Gibbs energy of binding, which is defined as the electro
241 tatic component provides the majority of the Gibbs energy of complex formation and does not depend on
242 A sequence, the salt-independent part of the Gibbs energy--usually regarded as non-electrostatic--is
244 ckground molecules, on the estimation of the Gibbs free energy change (DeltarG) of the reactions.
251 At the heart lies the exploration of the Gibbs free-energy landscapes and the extended phase diag
252 SAN combines GibbsMarkov, our variant of the Gibbs Sampler, described here for the first time, with o
254 of the stationary phase, is dependent on the Gibbs free energy change for these molecules at infinite
255 n the effect of the analyte content over the Gibbs free energy of dispersions, affecting the thermody
256 fact that, by varying model parameters, the Gibbs phase rule can be generalized so that four phases
257 io computational method that can predict the Gibbs free energies and thus phase diagrams of molecular
260 tor analysis to calculate, respectively, the Gibbs free energy difference between B-DNA and P-DNA, an
261 the singlet state, in the triplet state, the Gibbs barrier for the attack to the [5,6] bond of (#6094
263 he hypotheses, the results indicate that the Gibbs energy of binding to the membrane, not the Gibbs e
264 someric transformation demonstrates that the Gibbs free energy is the driving force for the transform
266 Thermodynamic calculations showed that the Gibbs free energy of Fe(II) oxidation (DeltaG(oxidation)
267 hermal titration calorimetry showed that the Gibbs free energy of VEGF-A, VEGF-C, or VEGF-E binding t
270 cytolytic peptides in model membranes to the Gibbs free energies of binding and insertion into the me
274 as well as the entropic contribution to the Gibbs free energy without major impact on the structure
276 xt, Hierarchical Bayesian Modeling using the Gibbs Sampling algorithm was applied to identify the seg
277 l electron acceptor, oxygen, and utilize the Gibbs free energy to transport protons across a membrane
279 ff, ostensibly owing to saturation, when the Gibbs approach predicted a continued linear decline, pro
280 er and a monolayer of dodecanol, wherein the Gibbs free energy of adsorption was determined to be -6.
281 DeltaG() = 18.8 +/- 2.4 kcal/mol), while the Gibbs free activation energy DeltaG() for the hydrogenat
282 ons of phenolates with carbocations with the Gibbs energies for single-electron transfer manifests th
285 oses that the interface is saturated in the "Gibbs region," thereby allowing a single unique area to
286 he reactions have been identified, and their Gibbs energies are used to explain the experimental reac
289 ivities for hydrogen evolution, according to Gibbs free energy calculations of H-adsorption on Mo2B4.
292 e proceeded with no activation barrier, with Gibbs free energies of reaction ranging from -21 to -58
293 tallographic structure of PixD, coupled with Gibbs free energy calculation between interacting faces
294 er, it used Bayesian hierarchical model with Gibbs sampling to incorporate binding signals of these r
296 and Markov chain Monte Carlo simulation with Gibbs sampling, calculating pooled odds ratios and assoc
297 (Trp-7) exhibit the greatest stability, with Gibbs free energies of unfolding in the absence of denat
300 uggestive signal in AHDC1, implicated in Xia-Gibbs syndrome, which involves intellectual disability a