ライフサイエンスコーパス: thermodynamic

1 tationally costly, step in understanding its thermodynamics.

2 e highest sensitivity allowed by the laws of thermodynamics.

3 ental thermodynamic values using statistical thermodynamics.

4 empirical trends in solution spin-crossover thermodynamics.

5 photons without violating the second law of thermodynamics.

6 itrification is not explained by kinetics or thermodynamics.

7 lizing cosolutes to modulate protein folding thermodynamics.

8 ure directly affected the BSA/lutein binding thermodynamics.

9 ddition, the impact of the excipients on the thermodynamic activity of KTP at concentrations in exces

10 rast, the addition of SDS did not reduce the thermodynamic activity of KTP because of the limited dis

11 Tween resulted in a further decrease in the thermodynamic activity of KTP relative to in the presenc

12 ex effects of surfactant and polymer on drug thermodynamic activity, factors which should be consider

13 We discuss the thermodynamic advantages of this approach for favoring C

14 is whether the laws of quantum mechanics and thermodynamics allow the existence of a coherence distil

15 oth one- and two-step pathways are driven by thermodynamics alone.

16 tion, but in this paper, we demonstrate that thermodynamics also serves a crucial role.

17 stic scheme is proposed that illustrates how thermodynamic analysis can provide further insight.

18 l domain in both apo- and ligand-bound form: thermodynamic analysis of the ligand association and sma

19 N) profiling of ensembles of tumors allows a thermodynamic analysis of the profile for each tumor.

20 s are likely synthesizable on the basis of a thermodynamic analysis of their decomposition to competi

21 ile the relevant literature data obtained by thermodynamic analysis, Raman spectroscopy, and X-ray ab

22 binding fluorescence polarization assays and thermodynamic analysis.

23 troy devices, yet the fundamental underlying thermodynamic and kinetic aspects of acceptor crystalliz

24 In this Perspective, we discuss both thermodynamic and kinetic aspects of photocorrosion proc

25 nd the nonpolarity of the N(2) molecule pose thermodynamic and kinetic challenges for promoting react

26 ia direct oxidative coupling of ammonia, but thermodynamic and kinetic factors limit the viability of

27 Connections between thermodynamic and kinetic hydricity are discussed, and o

28 erimental and computational determination of thermodynamic and kinetic hydricity, including advice on

29 presence of the hexameric capsule, showing a thermodynamic and kinetic modulation of the constituents

30 The fundamental thermodynamic and kinetic parameters obtained here will

31 ramolecular copolymerization by manipulating thermodynamic and kinetic routes in the pathway complexi

32 tion inhibition that reveals the fundamental thermodynamic and kinetic signatures characterizing effe

33 The thermodynamic and kinetic studies were carried out to un

34 The contribution of E449K is both thermodynamic and kinetic.

35 nted, which enables the determination of all thermodynamic and photokinetic parameters.

36 Our results suggest that the thermodynamic and structural mechanisms of complex forma

37 l is based on Monte Carlo simulations of the thermodynamic and transport properties.

38 directly measures the overall PCET reaction thermodynamics and avoids the need for a pK(a) scale in

39 The thermodynamics and kinetics of binding between human ser

40 formation processes in natural environments, thermodynamics and kinetics of divalent mercury Hg(II) c

41 ver, requires a more subtle control over the thermodynamics and kinetics of reactions.

42 ed to their function, in part, by tuning the thermodynamics and kinetics of steps in this cycle.

43 henols such as RES and RESAn1 influenced the thermodynamics and kinetics of the complex formation wit

44 nsfer across the rim of nanospheres, and the thermodynamics and kinetics of this process are describe

45 Starting from fundamental thermodynamics and kinetics phenomenological equations,

46 islocations are subject to the second law of thermodynamics and second, that the controlling inverse

47 st quantifiable relationship between the MOF thermodynamics and the linker structure, suggesting a ro

48 despite numerous structural, spectroscopic, thermodynamic, and kinetic studies.

49 to MamM CTD in terms of their binding sites, thermodynamics, and binding-dependent conformations, bot

50 determine sorption capacity, reversibility, thermodynamics, and kinetics.

51 An ab initio thermodynamics approach modelled how material morphology

52 ure, plays important roles in nonequilibrium thermodynamic approaches to the relaxation, flow, and de

53 cy range is nonphysical using both a general thermodynamic argument and a detailed calculation based

54 le MOFs demands control over the macroscopic thermodynamics as determined by microscopic chemical int

55 We find the incorporation of the thermodynamics associated with protonation state changes

56 rate Pourbaix phase diagrams that serve as a thermodynamic atlas to indicate which compounds are ener

57 ctional regulation is achieved by tuning the thermodynamic balance between active and inactive states

58 screening at oxide interfaces, triggering a thermodynamic balance of ionic and electronic structures

59 |PNP type surface as a result of significant thermodynamic band bending induced by ligand attachment

60 The decrease in the thermodynamic barrier engendered by this coupling also e

61 In this paper, a thermodynamics-based approach is proposed for greatly en

62 ments and analyzed these using a statistical thermodynamics-based equation and electrophysiological e

63 this hypothesis, we developed a statistical-thermodynamics-based informatics framework, which allows

64 is perspective aims to provide an intuitive, thermodynamics-based interpretation of energy efficiency

65 claiming that "...no correlation between the thermodynamic basicity and E2 rate should be expected."

66 These simulations highlight the thermodynamic basis for different linker histone binding

67 ls H(2) evolution is endergonic, providing a thermodynamic basis for highly selective CO(2) reduction

68 led ribonucleoprotein complexes, providing a thermodynamic basis for vectorial ribosomal RNA flux out

69 It is believed that fluid dynamic and thermodynamic behavior differ significantly at these sca

70 cosystem's estimated work and understand the thermodynamic behavior of the system.

71 In addition to describing the redox thermodynamics behind HET, we suggest that the correspon

72 ity between Nitrospinae and AOA, rather than thermodynamics, biomass yield and cell size, determine t

73 the scaffold proteins will promote not only thermodynamics but also kinetics of cell signaling given

74 rade-off between physicochemical and kinetic/thermodynamic C protection mechanisms under anaerobic co

75 he broad functionality of the technique, and thermodynamic calculations that show the underlying driv

76 Guided by thermodynamic calculations, a deposition approach is des

77 consistent with the results of our ab initio thermodynamics calculations.

78 gh-throughput method for measuring DNA motif thermodynamics called TEEM (Toehold Exchange Energy Meas

79 Thermodynamic characterization is crucial for understand

80 Kinetic and thermodynamic characterization of the complex was obtain

81 Depending on the thermodynamic conditions and the adsorbed gas, ML has be

82 the rapid collection of vapor samples under thermodynamic conditions are (1) the use of a miniature

83 ur results suggest multiple solutions to the thermodynamic conditions of cooperativity, in contrast t

84 f hypothetical MOFs are evaluated at various thermodynamic conditions using the random forest algorit

85 ause the enhancement depends on the evolving thermodynamic conditions.

86 Gas-phase calculations predict that the thermodynamic conformer of many of these anion receptors

87 erable research to determine the kinetic and thermodynamic consequences of threading a polypeptide ch

88 Based on thermodynamic considerations, Mg(0) deposition should no

89 e examine the methods required to ensure the thermodynamic consistency of the microkinetic model.

90 riments, we determined Hg(II) structures and thermodynamic constants for Hg(II) complexes formed with

91 Approaches to stereocontrol that invoke thermodynamic control fail when two or more potential pr

92 multiple cellular mechanisms of kinetic and thermodynamic control that maintain the proper distribut

93 mation of spiro hydropyridin-4-ones is under thermodynamic control while the formation of 1,3-oxazin-

94 and thermodynamic stability of the products (thermodynamic control) play essential roles in the obser

95 orination products forming under kinetic and thermodynamic control, respectively.

96 Selective metal binding is found to be under thermodynamic control, with the binding sites within the

97 formation of highly ordered COF films under thermodynamic control.

98 Lastly, we consider the thermodynamic cost for specificity in cellular signaling

99 Yet, both pathways make up part of a thermodynamic cycle, and, owing to binding flux-based ap

100 By coupling the thermodynamic data obtained with ITC with the structural

101 and 15 LMM thiols, an internally consistent thermodynamic data set is created, which we recommend to

102 he Arrhenius kinetic (A and E(a)) and Eyring thermodynamic (DeltaS(++) and DeltaH(++)) parameters.

103 Here, a fundamental thermodynamic description is developed, and extraordinar

104 arameters and their pressure dependencies, a thermodynamic description was made and compared between

105 The thermodynamic dislocation theory (TDT) is based on two h

106 This result implies that not only the thermodynamic distribution but also the intermolecular i

107 The standard second law of thermodynamics does not hold in the presence of measurem

108 lacing mismatches away from duplex ends, the thermodynamic drive for a strand-displacement reaction c

109 We propose a mechanism for enhancing the thermodynamic drive of DNA strand-displacement reactions

110 Here, we show thermodynamic-driven immersion transfer-printing, which

111 tarting materials as well as the kinetic and thermodynamic driving force for amide bond formation.

112 s U(20)Si(16)C(3), U(3)Si(5) and UC reveal a thermodynamic driving force for generating defects in bo

113 - and exo-metabolomics data to show that the thermodynamic driving force of critical reactions collap

114 bond-dissociation free energy (BDFE) as the thermodynamic driving force.

115 in which the bond-dissociation energy is the thermodynamic driving force.

116 However, the thermodynamic driving forces and kinetics of the multime

117 Additionally, the thermodynamic driving forces in the creation and stabili

118 This hidden thermodynamic driving motif is ideal for the engineering

119 s work provides fundamental insight into the thermodynamics driving metal-ion adsorption reactions an

120 mically induced sulfurization is verified by thermodynamic energetics for most of low-valence metal c

121 surface and substrates, determination of the thermodynamic energies of reactions for each step, the i

122 The nucleus reduces the thermodynamic energy barrier by acting as a template for

123 To improve the thermodynamic energy efficiency (TEE) of these systems,

124 as been argued that there is one more law of thermodynamics: entropy of microstructure decays in isol

125 oxidation, GO does not disperse in PVA as a thermodynamic equilibrium product, whereas in PEG disper

126 e catalysts for this reaction, enabling true thermodynamic equilibrium to be achieved in a single ste

127 0 to use ATP energy to drive a client out of thermodynamic equilibrium toward its active conformation

128 pic distribution of these species approaches thermodynamic equilibrium, either at the conditions of g

129 Under the assumption of thermodynamic equilibrium, we introduce a language of hi

130 ate) are in kinetic steady state rather than thermodynamic equilibrium.

131 Textural and thermodynamic evidence indicates the predominance of red

132 These results provide the first thermodynamic evidence of structural transitions induced

133 Can the Second Law of Thermodynamics explain why ecosystems naturally organize

134 Our results reveal concealed thermodynamic factors affecting dCas12a DNA binding, whi

135 P(1B)-type ATPase ATP7B and to determine the thermodynamic factors that underpin this activity.

136 d reaction free energies and demonstrate the thermodynamic feasibility of the hydrolytic and nonhydro

137 Thermodynamic flat band potential measurements in the da

138 in cell content between cells but also from thermodynamic fluctuations in a single cell.

139 An experimental study of the configurational thermodynamics for a series of near-eutectic Pt(80-x) Cu

140 sis to quantify the kinetics and equilibrium thermodynamics for the binding of a fluorine-labeled Src

141 demonstrate the importance of nonequilibrium thermodynamics for understanding biological dynamics and

142 stallization, by showing that size-dependent thermodynamic forces can produce pathways with multiple

143 ific percolation lines and thereby provide a thermodynamic framework for hardening transitions that h

144 n a manner that can be used to determine the thermodynamic free energies that underlie LLPS.

145 The thermodynamic free water percentage increases during mat

146 mously controlled system by considering both thermodynamic friction and the entropic cost of precisel

147 bounds on energy dissipation arise from the thermodynamic friction associated with pushing a system

148 Both thermodynamic functions (DeltaH and DeltaG), and activat

149 Then we review the statistical thermodynamics fundamentals of the model, considering va

150 The role of coherence in quantum thermodynamics has been extensively studied in the recen

151 Thermodynamic hydricity represents the free energy requi

152 We report here kinetic, thermodynamic, hydrodynamic and computational studies th

153 data provide a rare glimpse into Anfinsen's thermodynamic hypothesis and the process of thermal dena

154 The greatest thermodynamic inefficiencies in photosynthesis occur dur

155 ding, from which single-molecule kinetic and thermodynamic information about these processes can be e

156 and simple tool for obtaining structural and thermodynamic insight into the partitioning of small mol

157 of theoretical interest because it provides thermodynamic insights.

158 Here, we develop a thermodynamics-inspired method, "disassembly asymmetry s

159 ar to monomer transition may involve complex thermodynamic interactions between bile salts alone or w

160 Results from thermodynamic, kinetic, and computational analyses sugge

161 the first case where experimentally derived thermodynamics lead to a ferric heme hydroperoxide OO-H

162 togen gas fermentation are controlled at the thermodynamic level.

163 trophic magnification in the food chain, the thermodynamic levels of HOCs, for example, polychlorinat

164 ANME thrive at the thermodynamic limit of life, are slow-growing, and in mo

165 of-concept study to noninvasively derive the thermodynamic limit to an organism's biomagnification ca

166 ansport losses to push the efficiency to the thermodynamic limit.

167 eoretical approaches including magnetometry, thermodynamic measurements, neutron scattering, and Mont

168 This finding provides key insights into the thermodynamic mechanism for the nucleation of intermixin

169 tion in real-time amplification data and the thermodynamic melting profile using an affordable interc

170 However, owing to their thermodynamic metastability, anatase-type TiO(2) -IrO(2)

171 tastable structures along the pathway to the thermodynamic minimum.

172 Fitting of a thermodynamic model allows unequivocal demonstration of

173 By developing a general thermodynamic model of CRISPR-Cas binding dynamics, our

174 A thermodynamic model of ion exchange, based on the Rothmu

175 mplex assembly, we study here an equilibrium thermodynamic model of self-assembly that exhibits 4 dis

176 Here we present a thermodynamic model that quantifies and links the major

177 With a mass-balance thermodynamic model, we gain additional insights into th

178 cubic (BCC) refractory HEA, NbTaTiVZr, using thermodynamic modeling coupled with experimental verific

179 ostructural results from natural samples and thermodynamic modeling indicating that percolation of re

180 g first-principles simulations combined with thermodynamic modeling, we show that magma oceans of Ear

181 the current state-of-the-art of gas hydrate thermodynamic modeling.

182 umed subduction zone high-pressure rocks and thermodynamic modelling to show that deep serpentinizati

183 Thermodynamic models of gene regulation can predict tran

184 s, which has thus far not been considered in thermodynamic models.

185 of the self-assembled capsule, a kinetic and thermodynamic modulation of the imine constituents of th

186 ly validated our menthol binding models with thermodynamic mutant cycle analysis.

187 for crystal growth are based on macroscopic thermodynamics, neglecting the atomistic nature of the l

188 Modeling the thermodynamics of a transition metal (TM) ion assembly b

189 the basis for understanding the kinetics and thermodynamics of amyloid nucleation and elongation of a

190 semble simulation approach, we determine the thermodynamics of around 2000 sequence variants represen

191 O(2) was reported to affect the kinetics and thermodynamics of biochemical conversions because CO(2)

192 e a starting point for rationally tuning the thermodynamics of catalytic intermediates broadly and fo

193 Here, we experimentally investigate the thermodynamics of continuous, time-delayed feedback cont

194 ases that PEG had significant effects on the thermodynamics of detergent micellization.

195 ained model of DNA to study the kinetics and thermodynamics of DNA duplex and hairpin formation in cr

196 ts significant influence on the kinetics and thermodynamics of electron transfer, and frequently defi

197 indicates that different factors control the thermodynamics of Lewis adduct formation for iodonium io

198 elopments in the nonequilibrium dynamics and thermodynamics of living systems, giving a few examples

199 lts provide a basis for understanding global thermodynamics of multi-GeV plasma accelerators, which u

200 ve the way for a deeper understanding of the thermodynamics of multicomponent intracellular phase beh

201 However, the kinetics and thermodynamics of nucleic acid interactions in a crowded

202 Understanding the thermodynamics of paramagnetic transition metal hydride

203 ications in our current understanding of the thermodynamics of polyamorphic transitions in glasses an

204 The thermodynamics of protein folding in bulk solution have

205 l entropy can be an important element of the thermodynamics of protein functions such as the binding

206 regarding the electron transfer kinetics and thermodynamics of redox-active species encapsulated into

207 irs, and gain insight into the mechanism and thermodynamics of target discrimination.

208 ture from 5 to 45 degrees C to determine the thermodynamics of the base pair opening for MN4.

209 Here, we describe the thermodynamics of the formation of binary and ternary co

210 ons provide insight into the selectivity and thermodynamics of the reaction.

211 amatic rate retardations, as well as (2) the thermodynamics of the self-sorting process, i.e., the di

212 re expected to play an important role in the thermodynamics of the system.

213 yered structure of the starting crystal, the thermodynamics of the two differently colored forms, and

214 be either PCET or HAT and is governed by the thermodynamics of these intermediates involved.

215 ations in order to rigorously understand the thermodynamics of this process.

216 of TM ion-ligand coordination as well as the thermodynamics of TM ion binding to a protein active sit

217 of the individual TM ions and reproduces the thermodynamics of TM ion-ligand coordination as well as

218 that determine the high-pressure macroscopic thermodynamics of two flexible pillared-layer MOFs.

219 living Drosophila embryos and showed that no thermodynamic or non-equilibrium MWC model can recapitul

220 Extraction of thermodynamic parameters demonstrates a strong enthalpic

221 previous methods to determine CMCs and other thermodynamic parameters from ITC demicellization curves

222 eltaG degrees 37) minimization and rely upon thermodynamic parameters from the nearest neighbor (NN)

223 etical approaches to extract the kinetic and thermodynamic parameters of specific biomolecular intera

224 diblock copolymers, and enables fundamental thermodynamic parameters to be determined.

225 of activation for diffusion, Biot number and thermodynamic parameters were deduced from the data obta

226 Mechanistic studies that connect thermodynamic parameters with the kinetics of catalysis

227 Thermodynamic partitioning dictates solute loading and r

228 rials is informed by an understanding of the thermodynamic partitioning properties of those hydrogels

229 ntigen depends on the interplay of dilution, thermodynamic partitioning, diffusion, and reaction.

230 The thermodynamic penalty imposed by differences in isomeriz

231 From this fact the transport and thermodynamic phase diagram is reproduced in detail.

232 anical equilibrium of confined sheets and in thermodynamic phases of superconductors and chiral liqui

233 rogression of polymorphs from UBA III to the thermodynamic polymorph UBA I, where different positions

234 ly presents a general approach to developing thermodynamic potential energy functions for ferroelectr

235 L mol(-1)), complex stoichiometry (1:1), and thermodynamic potential for BSA/lutein binding were inde

236 alysts can function closer to the O(2)/H(2)O thermodynamic potential, but they tend to be less select

237 current switches direction at the 2H(+)/H(2) thermodynamic potential, clearly signaling a departure f

238 ion reactions (ORR and OER) at high rates at thermodynamic potentials.

239 isolated can be correctly predicted from the thermodynamic preference observed in computational model

240 owed water has minor effects on the reaction thermodynamics, primarily attributable to intrinsic diff

241 binding states while maintaining fidelity to thermodynamic principles and a user-supplied fitness/fun

242 ch free energy is irreversibly lost during a thermodynamic process?

243 can be controlled through the alteration of thermodynamic processes and provides a roadmap for explo

244 d, we are able to directly quantify the full thermodynamic profile of a chemical process (K(a), Delta

245 50 fs and for which accurate measurements of thermodynamic properties are vital to build accurate equ

246 ulting in the rejuvenation of mechanical and thermodynamic properties in physically aged RAFT-CuAAC n

247 hemistry, we analyze the physicochemical and thermodynamic properties of the biological and nonbiolog

248 ta-driven approach to study the magnetic and thermodynamic properties of van der Waals (vdW) layered

249 n, yet key aspects of its conformational and thermodynamic properties remain unclear.

250 tides (oligos), allowing the optimization of thermodynamic properties together with the opportunity t

251 e of metals exhibit anomalous electrical and thermodynamic properties when tuned to a quantum critica

252 fluctuations and impurity scattering on the thermodynamic properties.

253 g essentially exact numerical results on the thermodynamic properties.

254 facial states that differ in any equilibrium thermodynamic property(7).

255 e advances, with focus on the structural and thermodynamic redox properties of nitrogenase component

256 ansition provides a sensitive tool to detect thermodynamic regions characterized by intermolecular in

257 Establishing redox and thermodynamic relationships between metal-ion-bound O(2)

258 nciple has been demonstrated for the dynamic thermodynamic resolution of the vaulted biaryl ligands w

259 genstates is a resource independent of other thermodynamics resources, such as work.

260 factor analysis, we analyzed the kinetic and thermodynamic results for the variants.

261 lex is spectroscopically characterized, with thermodynamic reversibility and kinetic stability also d

262 t-generation TE materials in line with these thermodynamic routes is given.

263 n are explained by water waves quantified by thermodynamic scaling.

264 alculated to be 73.5 kcal/mol, employing the thermodynamic square scheme and Bordwell relationship.

265 edicting mutation-induced changes in protein thermodynamic stability (DeltaDeltaG) is of great intere

266 unreliable, even when using a combination of thermodynamic stability and evolutionary covariation inf

267 a narrow window of lengths that confers both thermodynamic stability and fast folding kinetics.

268 Here, we evaluate the thermodynamic stability and nuclease sensitivity of olig

269 reached 18.4 % efficiency combined with good thermodynamic stability at ambient conditions.

270 Determination of thermodynamic stability is an important tool that is com

271 ure polymorph stishovite (P4(2)/mnm) and its thermodynamic stability is of great interest for underst

272 the susceptibility to heat denaturation: the thermodynamic stability of A(1)R-G279S(7.44) was enhance

273 tationally, our results show that the higher thermodynamic stability of m-C(2)B(10)H(12) is not relat

274 between the linker functionalization and the thermodynamic stability of metal-organic frameworks (MOF

275 The thermodynamic stability of Pd under high-temperature rWG

276 sition-state barriers (kinetic control), and thermodynamic stability of the products (thermodynamic c

277 nding enhances the mechanical resistance and thermodynamic stability of the protein, without changing

278 that backbone hydrogen bonds provide modest thermodynamic stability to membrane protein structures a

279 NA four-way junction nanoparticle with ultra-thermodynamic stability to solubilize and load paclitaxe

280 ions and find that 80% impair zinc affinity, thermodynamic stability, or both.

281 attery operation beyond the solvated species thermodynamic stability.

282 is confounded by RNA secondary structure and thermodynamic stability.

283 Thermodynamic stabilization at high concentrations and k

284 dation (SPROX) revealed a clemastine-induced thermodynamic stabilization of the Plasmodium TRiC delta

285 o the influence of the intervening air-layer thermodynamic state and composition, in particular when

286 mate the energies of six distinct detectable thermodynamic states that are not accessible by currentl

287 Thermodynamic studies indicate that the hydride is not s

288 A thermodynamic study across a wide temperature range was

289 xit tunnel that partially offset the general thermodynamic tendency of all polypeptides to form beta-

290 paradox which goes against the second law of thermodynamics that states how entropy must increase.

291 y, we present some of the areas in clathrate thermodynamics that we foresee as the new frontiers in t

292 In terms of thermodynamics, the aqueous phase is considered as a com

293 ckness of as-received crystals is beyond the thermodynamic ultra-thin limit above which the wurtzite

294 mational entropy could greatly influence the thermodynamics underlying membrane-protein functions, in

295 ed for quantitatively estimating fundamental thermodynamic values using statistical thermodynamics.

296 emical and physical processes is captured by thermodynamic variables which track the energetic state

297 itation may differentially impact kinetic or thermodynamic versus physicochemical C protection mechan

298 Using stochastic thermodynamics, we compute the total energy cost of an a

299 luid dynamical considerations and nucleation thermodynamics, we provide mechanistic understanding of

300 es a computational model that can predict NN thermodynamics where experimental data is scarce or abse