ライフサイエンスコーパス: thermodynamic

1 cted to deviate substantially from classical thermodynamics.

2 tbed to explore its molecular structures and thermodynamics.

3 relationship exists between information and thermodynamics.

4 sembly; (4) speculative links to equilibrium thermodynamics.

5 Kinetic and thermodynamic analyses evidence a concerted proton-elect

6 , site-directed mutagenesis, and kinetic and thermodynamic analyses.

7 Thermodynamic analysis indicated that compared with WT f

8 ond, we combine this scaling approach with a thermodynamic analysis of active site formation to provi

9 sites around the world to conduct a thorough thermodynamic analysis of aerosol pH and its sensitivity

10 ent, thereby establishing a new paradigm for thermodynamic analysis of precipitate assemblies.

11 kness variations and a coupled photoemission-thermodynamic analysis of space-charge effects, we show

12 WBGT and (3) behavioural responses nullified thermodynamic and autonomic differences associated with

13 For the fluids passing the thermodynamic and environmental screens (critical temper

14 apping of genomic DNA into nucleosomes poses thermodynamic and kinetic barriers to biological process

15 ity paradigm should be considered along with thermodynamic and kinetic control as a factor that can d

16 ption spectroscopy to obtain a comprehensive thermodynamic and kinetic description of a buried trypto

17 ctories was employed to construct a detailed thermodynamic and kinetic model of insulin folding.

18 complement experiments in characterizing the thermodynamic and kinetic properties of protein/ligand i

19 abilization are unclear, and the fundamental thermodynamic and kinetic requirements for dynamic insta

20 rences among IRE-mRNAs selectively influence thermodynamic and kinetic selectivity of the protein/RNA

21 been fully explained atomistically with both thermodynamic and kinetics.

22 tates has been limited so far to their local thermodynamic and magnetic properties, determined by the

23 ures computed from a number of nucleic acid, thermodynamic and secondary structure models on real CRI

24 horoughly reviewed, with special emphasis on thermodynamics and catalyst design considerations.

25 he sequence selectivity and characterize the thermodynamics and kinetics of binding in a single assay

26 target engagement is a function of both the thermodynamics and kinetics of drug-target interactions,

27 Thermodynamics and kinetics of H2O splitting are largely

28 ons and show that crystal packing alters the thermodynamics and kinetics of local conformational exch

29 giving controlled gel times dictated by the thermodynamics and kinetics of the system.

30 ccurately modeled by taking into account the thermodynamics and kinetics of tile attachment and detac

31 catalysts, explanations of their stability (thermodynamics and kinetics) are discussed, challenges f

32 tate explosive reactions are built upon both thermodynamics and kinetics, and then successfully used

33 st, at small to moderate surface areas, bulk thermodynamics and the energetics of the aqueous phase d

34 s a pivotal role in determining the reaction thermodynamics and thereby catalytic mechanism and activ

35 discussion on the fundamental assumptions in thermodynamics and to engage in research activities earl

36 bents and their use as separating agents via thermodynamics and/or kinetics and molecular sieving.

37 Here, a combination of kinetic, thermodynamic, and in situ spectroscopic measurements sh

38 Here, we provide detailed structural, thermodynamic, and kinetics results of the interactions

39 Excitingly, our kinetic, thermodynamic, and structural analysis revealed an array

40 ical and experimental approach, key kinetic, thermodynamic, and structural details of this reaction m

41 The thermodynamic approach established in this report, paves

42 A thermodynamic approach to peptide macrocyclization inspi

43 al metamaterials, designed by transformation thermodynamics are artificial structures that can active

44 utational tools for evaluating water-centric thermodynamics are reviewed.

45 n rejected in the 1970s based on equilibrium-thermodynamic arguments.

46 ibrium system sets a firm upper limit on the thermodynamic availability of intracellular copper that

47 aticity between the rings contributes to the thermodynamic balance of the metal ligand cooperative re

48 y thermal catalysis owing to the significant thermodynamic barrier.

49 While in line with previous thermodynamics-based models of a general RNA folding mec

50 our results reveal an unusual structural and thermodynamic basis for the P2204L-induced dysfunction o

51 opy measurements to identify the kinetic and thermodynamic basis of kinetic stabilization by the MTAs

52 gB, and RrgC to determine the structural and thermodynamic basis of pilin recognition.

53 in complex showed 1:1 stoichiometry, but the thermodynamic binding parameters depended on the techniq

54 guest structure and were correlated with the thermodynamic binding selectivity.

55 Here, we establish the thermodynamic bounds for ultra-affinity, and further sho

56 ocols that can and cannot reach the expected thermodynamic bounds.

57 of phase-separation effects into activation thermodynamics can lead to a CCN number concentration th

58 results indicate that kinetics, and not just thermodynamics, can significantly alter the efficiency o

59 try, we elucidate how trehalose modifies the thermodynamic chemical activity of sodium and potassium

60 e surprising that the laws of nonequilibrium thermodynamics, combined with Maxwell's equations, sugge

61 a general and practical means to predict the thermodynamic conditions for crystallizing IgG antibodie

62 nge of stability, crystal structures and the thermodynamic conditions of the decarbonation processes

63 imental data of liquid argon, for a range of thermodynamic conditions, as well as for saturated argon

64 to study iron oxide reduction under defined thermodynamic conditions, MER can also be used to captur

65 study of halide perovskites under a range of thermodynamic conditions, toward realizing wholly new el

66 Thus, under thermodynamic conditions, with both the axles 7(+) and 8

67 ne at a microscopic level the structural and thermodynamic consequences of binding of each ligand to

68 On the basis of thermodynamic considerations, we predicted the compositi

69 ss can be understood in terms of equilibrium thermodynamics considerations.

70 tified, in terms of the required kinetic and thermodynamic constants, and provide practical guidance

71 twork analysis confirmed the validity of the thermodynamic constraints, and that thermodynamic poise

72 ter material properties by enhancing surface thermodynamic contributions, shortening diffusion length

73 aving groups, the reaction takes place under thermodynamic control favoring the attack on the most st

74 tuted tetrahydropyrans, which proceeds under thermodynamic control.

75 These correlations imply that thermodynamics controlled goethite and hematite reductio

76 TCF approach reveals a complex landscape of thermodynamic coupling between Na(+) release and inward-

77 ular gating, we applied a combination of the thermodynamic coupling function (TCF) formalism and Mark

78 al data with cubic splines using a stringent thermodynamic criterion for mixing.

79 Thermodynamic cycles use factorial perturbations to meas

80 xperimental phase diagrams, and thousands of thermodynamic data sets from experiments and high-throug

81 icates interpretation of both structural and thermodynamic data.

82 e of the phase transition, consistent with a thermodynamic description of huddling, and with a descri

83 However, the present thermodynamic description of the Al-Si-Fe-Cu system need

84 DAMTS13 cleavage site through A2-domain-fold thermodynamic destabilization.

85 Apart from inherent thermodynamic disadvantages, SIBs have to overcome multi

86 ein limited electron flux through STC in the thermodynamic downhill direction (heme 1-->4) is approxi

87 lectron to the same oxidant has a much lower thermodynamic driving force and is considerably slower,

88 ATP hydrolysis in the CI domain provides the thermodynamic driving force for the clock, switching Kai

89 2](NO3)2 (bpy, 2,2'-bipyridine) provides the thermodynamic driving force for the reaction.

90 Insertion was achieved by balancing the thermodynamic driving force of chalcogenolate formation

91 ing-strain release can provide the necessary thermodynamic driving force to make such processes favor

92 orous physics-based approach for calculating thermodynamic effects of, for example, protein side-chai

93 lid-state entropy of reduction increases the thermodynamic efficiency of metal oxides, such as ceria,

94 vides the basis for direct assessment of the thermodynamic efficiency of the different catalysts and

95 Dissection of the thermodynamic energy terms governing protein-ligand inte

96 laser fluence multiple times higher than the thermodynamic enthalpy threshold is required for complet

97 tured by a statistical ensemble with nonzero thermodynamic entropy, which is the entanglement accumul

98 a general feature of reduced TiO2 systems at thermodynamic equilibria or photostationary states and s

99 rrounding environment that alter kinetic and thermodynamic equilibria.

100 h like increase in temperature, perturbs the thermodynamic equilibrium between native and unfolded st

101 of single amino acid point mutations on the thermodynamic equilibrium between the folded and unfolde

102 rsaturated by many orders of magnitude under thermodynamic equilibrium conditions.

103 Material systems that reside far from thermodynamic equilibrium have the potential to exhibit

104 thermal radiation of opaque bodies, even if thermodynamic equilibrium is not satisfied.

105 zation has been traditionally focused on the thermodynamic equilibrium state, where one-dimensional a

106 racterized in model membranes in vitro under thermodynamic equilibrium state.

107 r to investigate a transient state away from thermodynamic equilibrium, and then turn on the dynamic

108 caution) to not-opaque bodies away from the thermodynamic equilibrium.

109 l fluctuations and describe systems far from thermodynamic equilibrium.

110 catalyst, or equilibrator, in order to reach thermodynamic equilibrium.

111 from elemental and isotopic compositions at thermodynamic equilibrium.

112 Stochastic thermodynamics extends classical thermodynamics to small

113 iffering steric bulk unpicked the underlying thermodynamic factors controlling the reactions of 25 an

114 tematically evaluate the role of dynamic and thermodynamic factors such as atmospheric circulation pa

115 nding the different structural, dynamic, and thermodynamic factors that regulate the primary electron

116 ations, but has had limited success owing to thermodynamic favorability of sphere formation.

117 environments it has been shown that classic thermodynamics favour the production of CO2 from CH4, wh

118 T (2)) through appropriate identification of thermodynamic fluxes and forces, thereby showing that th

119 ectivity in an environment that makes strong thermodynamic forcing available only to rare combination

120 on of the binding models not only provides a thermodynamic foundation for the results obtained but al

121 fully reversible and strictly adheres to the thermodynamics governing the reactions.

122 upport a terminal Ni-H moiety, for which the thermodynamic hydride donor strength rivals those of pre

123 eco-exergy and specific eco-exergy served as thermodynamic indicators to represent ecosystem health i

124 Thermodynamic information is scarce for this type of pro

125 tions of the system are then used to compute thermodynamic information, such as binding affinities.

126 We have used thermodynamic insights to predict and demonstrate that t

127 Further MD simulations, thermodynamic integration, and quantum mechanical calcul

128 The gate structure and thermodynamics is a result of the self-assembly of the s

129 Since relativistic thermodynamics is a topic that can be treated as part of

130 Markov state models (MSMs) to report on the thermodynamics, kinetics, and accessible states of BTK's

131 Thermodynamic knowledge of the N-H bond strengths of suc

132 imulations have been used to map the complex thermodynamic landscape leading to growth of the two dis

133 Can the properties of the thermodynamic limit of a many-body quantum system be ext

134 rsity of syntrophic bacteria thriving at the thermodynamic limit.

135 hydrodynamic shear forces to overcome these thermodynamic limitations with irreversible kinetics.

136 To separate thermodynamic (lipid-dependent) from kinetic (enzyme-dep

137 pproximately 50 kJ mol(-1) in an exclusively thermodynamic manner, i.e. by lowering the free energy o

138 In apparent contradiction to the laws of thermodynamics, Maxwell's demon is able to cyclically ex

139 ture UV-vis spectroscopy were used to obtain thermodynamic measurements of N2 binding.

140 orescence microscopy (TIRFM) and kinetic and thermodynamic measurements, we established a kinetic mod

141 ly, DUck is orthogonal to docking and other 'thermodynamic' methods.

142 e molecules can be used to escape the global thermodynamic minimum by populating metastable states, f

143 nary in silico analysis using an electrolyte thermodynamic model indicated that MD of 10 different mi

144 We relied on a thermodynamic model of the different stable conformation

145 A thermodynamic model of thermoregulatory huddling interac

146 We developed a thermodynamic model of water temperatures driven by down

147 Thus, the thermodynamic model offers the correct null prediction f

148 uences indicates the continued need for both thermodynamic model refinements and alternate RNA struct

149 A thermodynamic model that incorporates competition betwee

150 Here we present a comprehensive thermodynamic model that provides in-depth analysis of t

151 Particle pH was determined with a thermodynamic model using measured ionic species.

152 dsorbed Solution Theory (IAST), a prevailing thermodynamic model, and its derivatives, i.e., Segregat

153 citon-polaritons along the hybrid modes by a thermodynamic model, which yields a very good agreement

154 oncentration can be described by the cBOmega thermodynamic model.

155 Thermodynamic modeling indicates that the exceptionally

156 well as molecular computer simulations, and thermodynamic modeling were performed to probe the mecha

157 nties not only in ab initio calculations and thermodynamic models but also in synthesis conditions in

158 Thermodynamic models demonstrate that balanced attractiv

159 olved CO2 in subduction-zone fluids based on thermodynamic models rely on a very sparse experimental

160 d CO2 in subduction-zone fluids are based on thermodynamic models, relying on a very sparse experimen

161 oril'sk nickel sulfide, combined with simple thermodynamic models, to show that the Noril'sk ores wer

162 rmophilus using nearest-neighbor statistical thermodynamic models.

163 These dynamical mechanisms and thermodynamic moistening of the warming atmosphere resul

164 e colloids is a signature of the first-order thermodynamics nature of this phase transition.

165 Unlike glargine, degludec showed strong thermodynamic non-ideality, but this was suppressed by t

166 yet been quantified, in terms of kinetics or thermodynamics, nor has the underlying molecular mechani

167 In addition to reiterating the obvious thermodynamic objections to such an unlikely oxidation,

168 of freedom, protonation further affects the thermodynamic of the permeation pathway of 2-APB, leadin

169 This value is compared to the thermodynamics of a hydrogen bond determined by similar

170 We carry out a detailed investigation of the thermodynamics of a series of isochoric, diffusionless s

171 y has the potential to directly quantify the thermodynamics of allosteric interactions, but usually f

172 Here, we investigate in detail the thermodynamics of assembly of diphenylalanine (FF).

173 probe is an effective tool for exploring the thermodynamics of cancer cell migration and invasion.

174 We find that the thermodynamics of FF assembly displays the typical chara

175 This is achieved by evaluating the thermodynamics of hybridization for full-length oligonuc

176 elucidate the electronic structure and redox thermodynamics of Ni-only and mixed NiFe oxyhydroxide th

177 water within a binding pocket can alter the thermodynamics of protein-ligand association.

178 rface of a protein is thought to mediate the thermodynamics of protein-ligand interactions.

179 ned alpha3FnY DeltaE degrees 's to model the thermodynamics of radical-transfer reactions in FnY-RNRs

180 ch range from the fundamental aspects of the thermodynamics of self-assembly through to the developme

181 The bonding in 25 and the mechanism and thermodynamics of the reactions have been studied using

182 ssed offering insights into the kinetics and thermodynamics of the switching process.

183 Structural effects on the thermodynamics of this reaction are assessed.

184 sent a detailed analysis of the kinetics and thermodynamics of this reaction, also known as the "rege

185 ral behavior has been associated with either thermodynamic or kinetic driving forces.

186 part of an undergraduate course of classical thermodynamics or modern physics, the review and our own

187 The thermodynamic origins of these bilayer heights were inve

188 to be between 150 and 250 muM, which is the thermodynamic parameter that sets the free energy of the

189 Used in combination, these kinetic and thermodynamic parameters can help toward the development

190 ing of binding data to yield the microscopic thermodynamic parameters essential for deciphering mecha

191 llenges still exist in utilizing kinetic and thermodynamic parameters for hit selection.

192 This comprehensive analysis afforded thermodynamic parameters for nucleotide binding (Kd , De

193 l radicals were synthesized, and the bonding thermodynamic parameters for self-dimerization were dete

194 tration calorimetry was applied to determine thermodynamic parameters for the interaction between nan

195 in solution, for which binding constants and thermodynamic parameters have been determined, giving pr

196 Evaluation of the thermodynamic parameters of adsorption for dmpn-Mg2(dobp

197 ere instrumental in defining the kinetic and thermodynamic parameters of the interaction.

198 The resulting thermodynamic parameters were compared to RNA duplexes c

199 Thermodynamic parameters, HOMO and spin density were com

200 theoretical model allows us to quantify the thermodynamic parameters, the distribution of different

201 atalytic cycle and determine their intrinsic thermodynamic parameters.

202 of root exudates on the fate of ENMs from a thermodynamic perspective.

203 lly inspired definition for robustness under thermodynamic perturbation.

204 on notion is to ascribe domain separation to thermodynamic phase equilibria.

205 vertex model that exhibits no bulk classical thermodynamic phase transition, independent of the compu

206 However, such mappings display thermodynamic phase transitions that may prevent reachin

207 Coexisting thermodynamic phases have been successfully identified,

208 However, characterizing thermodynamic phases of single bilayer membranes has not

209 oretical calculations revealed that from the thermodynamic point of view hydrogen atom transfer is th

210 From a thermodynamic point of view, the calculated fiber consta

211 ersibility constraints follow from heuristic thermodynamic poise approximations that take anticipated

212 on the implementation and validation of the thermodynamic poise calculation itself.

213 y of the thermodynamic constraints, and that thermodynamic poise information is actionable during net

214 hrough its relationship with the genesis and thermodynamic potential intensity of hurricanes.

215 O2 as the only net coreactant based only on thermodynamic potentials.

216 of catalysts that can overcome the inherent thermodynamic preference of an olefin, providing synthet

217 The thermodynamic preference of different reaction paths of

218 e hypothesized ligands to YKL-40, addressing thermodynamic preference relative to chito-oligosacchari

219 ang, with similar geometries but distinctive thermodynamic preference.

220 =Cl and I showed that in the case of iodide, thermodynamics prevents the production of benzene and fa

221 ts in metal nanocrystals by simply following thermodynamic principles.

222 Here, using heat transfer and thermodynamics principles, we show how Bui et al's concl

223 ta have the potential to resolve overlapping thermodynamic processes, while mechanistically constrain

224 tructure and that its protonated form is the thermodynamic product of the Friedel-Crafts acylation in

225 ds to the formation of the delta-adduct (the thermodynamic product).

226 As the first case to correlate thermodynamic properties (e.g., self-assembling ability)

227 The platform enabled us to elucidate the thermodynamic properties of a heterotrimeric DNA complex

228 cule fluorescence to dissect the kinetic and thermodynamic properties of a set of variants of a commo

229 A potent read-out of local variations in thermodynamic properties of hydration water is its equil

230 global protein solubility or stability, the thermodynamic properties of hydration water must reflect

231 composition change is the difference in the thermodynamic properties of ternary FeSexTe1-x, based on

232 tate model, initially developed to reproduce thermodynamic properties, is able to accurately describe

233 l of the deployed separation methods rely on thermodynamic properties, such as distribution equilibri

234 While both kinetic and thermodynamic protein stability are analysed by varying

235 ral properties of fluid bilayers and various thermodynamic quantities can then be calculated, which d

236 Zaccai model equally permit to get access to thermodynamic quantities characterizing pure DMPC and DM

237 propose a method to quantitatively describe thermodynamic quantities for out-of-equilibrium interact

238 em on the whole by giving access to relevant thermodynamic quantities, and elastic incoherent neutron

239 es the DNA residence of the homodimers under thermodynamic rather than kinetic control.

240 However, thermodynamic ratios E/Z were reached as the reaction pr

241 s, whose reduction potentials are beyond the thermodynamic reach of the dimer's effective reducing st

242 C(1)-C(6) Bergman cyclization as the favored thermodynamic reaction pathway, with larger C(1)-C(6) pr

243 nes give (Z,Z)-1,3-diene products, again for thermodynamic reasons.

244 studies linking oxide reduction kinetics to thermodynamics remain scarce.

245 nformation to the native fold by kinetic and thermodynamic remodelling of the gating energetics towar

246 Its supercooled liquid has divergent thermodynamic response functions.

247 The kinetics and thermodynamic results derived from the experimental data

248 Thermodynamics reveals that the low temperature of the s

249 tributes to ATP production but operates near thermodynamic reversibility, with potentially important

250 bility, suggested that the N3 domain forms a thermodynamic seal onto the prepore.

251 The thermodynamic signature of AmtB-GlnK in the absence of l

252 The thermodynamic signatures of the EED aminopyrrolidine com

253 Full PCET thermodynamic square schemes for the mitoNEET model 5(2-

254 We quantified their thermodynamic stabilities and monitored their aggregatio

255 ogen bonding-can readily invert the relative thermodynamic stabilities of different molecular conform

256 Here we measured systematically the thermodynamic stabilities of homodimers and heterodimers

257 re-association and fine-tunable chemical and thermodynamic stabilities.

258 ween light-chain conformational flexibility, thermodynamic stability and amyloidogenicity.

259 These data add new evidence that thermodynamic stability correlates primarily with unfold

260 gorite was heated to temperatures beyond its thermodynamic stability field.

261 nce variants in Nature correlates with their thermodynamic stability in isolation.

262 ermining regions (CDRs) without compromising thermodynamic stability is critical to their natural fun

263 Quantitative determination of protein thermodynamic stability is fundamental to many research

264 We perform nuclear Magnetic Resonance and thermodynamic stability measurements on the C-terminal d

265 We assayed thermodynamic stability of each domain by equilibrium de

266 However, the thermodynamic stability of such self-assemblies over an

267 The thermodynamic stability of the premartensite phase and i

268 The unfolding rates correlate well with the thermodynamic stability of the proteins.

269 ere is a lack of models able to describe the thermodynamic stability of these 'magic-number' colloida

270 However, the structure and thermodynamic stability of these complexes remained unkn

271 ng skyrmion properties, thereby tuning their thermodynamic stability parameter by an order of magnitu

272 Herein, we introduce the thermodynamic stability theory, derived from first princ

273 in a previously designed protein of moderate thermodynamic stability, ThreeFoil.

274 finger of specificity factor 1) and enhanced thermodynamic stability.

275 satory mutations is critical for maintaining thermodynamic stability.

276 ed with widely varying sequence identity and thermodynamic stability.

277 ganism, proteins also need to modulate their thermodynamic stability.

278 roach that evaluates structural, rather than thermodynamic, stability.

279 difference between the GTP- and GDP-tubulin thermodynamic states.

280 the WT SHAPE reactivity allow us to improve thermodynamic structure predictions of riboSNitches.

281 Thermodynamic studies with RNA duplexes containing non-s

282 Passivity is a fundamental concept in thermodynamics that demands a quantum system's energy ca

283 Within the framework of linear irreversible thermodynamics, the maximum-power efficiency is obtained

284 he most accepted version of the third law of thermodynamics, the unattainability principle, states th

285 ing therefore presents an opportunity to use thermodynamic theory to study an emergent adaptive anima

286 that we have derived by assuming the laws of Thermodynamics to be covariant.

287 spectroscopy, site-directed mutagenesis, and thermodynamics to elucidate the mechanisms of eIF2B acti

288 Stochastic thermodynamics extends classical thermodynamics to small systems in contact with one or m

289 rent difficulties in replicating this contra-thermodynamic transformation in the laboratory.

290 ility of physicochemical properties, such as thermodynamic, transport, and spectroscopic properties.

291 Far-from-equilibrium thermodynamics underpins the emergence of life, but how

292 nITC provides a fundamental thermodynamic understanding of interactions between nCu

293 le, which demonstrates the potential of this thermodynamic variable to modulate protein-ligand intera

294 both are equally important and complementary thermodynamic variables.

295 DFT calculations verified the thermodynamic versus kinetic control of the reactions, a

296 the theoretical framework of nonequilibrium thermodynamics, we present a widely applicable mechanism

297 In the framework of quantum thermodynamics, we propose a method to quantitatively de

298 humidity), outside the currently understood thermodynamic window for life.

299 nlightening illustration of the interplay of thermodynamics with quantum information.

300 review of the main theories of relativistic thermodynamics, with an special emphasis on the physical