ライフサイエンスコーパス: hydration shell

1 octahedrally coordinated Co(2+) with a "half hydration shell".

2 taining 42 waters (in excess of two complete hydration shells).

3 remaining free waters on the surface of the hydration shell.

4 er of water molecules contained in the first hydration shell.

5 the visualization of a nearly complete first hydration shell.

6 ate, K crosses the pH gate together with its hydration shell.

7 nd enhanced solvation via an explicit ligand hydration shell.

8 voir of entropy, which resides mainly in the hydration shell.

9 and White, marks the completion of the first hydration shell.

10 308 coordinates the cation through the first hydration shell.

11 distribution of water molecules in the first hydration shell.

12 nct structural change upon completion of the hydration shell.

13 d, each with a well-defined hepta-coordinate hydration shell.

14 ent ions can rapidly permeate with an intact hydration shell.

15 t a shrinking phase region for the secondary hydration shell.

16 ions that likely have retained much of their hydration shell.

17 hydrophilic residues in the vicinity and the hydration shell.

18 ing water molecules, forming a second-sphere hydration shell.

19 tly its extreme electronegativity and strong hydration shell.

20 y to encode information into the surrounding hydration shell.

21 ons only affect water molecules in the first hydration shell.

22 ent on the stability of the protein-specific hydration shell.

23 yer, bulk-type mobile water molecules in the hydration shell.

24 hat permeating ions have a grossly distorted hydration shell.

25 an be undertaken in the absence of a protein hydration shell.

26 ed because of skepticism about the clathrate hydration shell.

27 nt with what would be expected for the first hydration shell.

28 our data set all have an extended dynamical hydration shell.

29 nserted between GOx and HRP to connect their hydration shells.

30 which the bromide counterions maintain their hydration shells.

31 minate between same-charge ions with similar hydration shells.

32 edominantly temperature-sensitive, depleting hydration shells.

33 olution interact with their surroundings via hydration shells.

34 iomolecules are strongly influenced by their hydration shells.

35 s to a difference in the resilience of their hydration shells.

36 s the HY values of alkanes depend on special hydration shells.

37 ult of the thermal responsiveness of the U60 hydration shells.

38 en et al. for the number of waters in alkane hydration shells.

39 ing coupling between side chain and backbone hydration shells.

40 tions and the modulating role of the protein hydration shell, a detailed microscopic description of t

41 A thicker hydration shell and a more rigid interfacial hydration n

42 the compressibility of water in the protein hydration shell and bulk water.

43 C2 repeat motif of the DNA duplex exhibits a hydration shell and greater flexibility and serves as a

44 eral cooperative rearrangements in the inner hydration shell and occurs in tens to hundreds of picose

45 w, long-time component is present within the hydration shell and that molecular jumps and over-coordi

46 ant conformational motions are slaved by the hydration shell and the bulk solvent.

47 tudy the interactions of proteins with their hydration shell and the ice lattice in frozen solution.

48 ral or strongly kosmotropic salt ions on the hydration shell and the mutual hydrodynamic interactions

49 y thermodynamic contributions from the inner hydration shell and those from hydrogen-bond and van der

50 n to probe spectroscopically the hydrophobic hydration shell and, using a statistical multisite analy

51 y with salt concentration due to overlapping hydration shells and structural rearrangements which red

52 ic scattering (SHS) show that the respective hydration-shells and the interfacial water structure are

53 In the major groove the first hydration shell appears to be a ribbon-like structure th

54 olute-induced sub-picosecond dynamics of the hydration shell are discussed herein.

55 We find that the primary hydration shells are formed all over the surface, regard

56 His explanation said that hydrocarbon hydration shells are formed, possibly of clathrate water

57 Predictions for the density of water in the hydration shells are then compared with high occupancy s

58 s are slaved to the beta fluctuations of the hydration shell, are controlled by hydration, and are ab

59 ational change and a decrease in the dynamic hydration shell around Abeta(1-42).

60 termine the detailed structure of a complete hydration shell around an anion.

61 ibrational spectra of water molecules in the hydration shell around neopentane and benzene reveals hi

62 h-frequency OH stretch peak arising from the hydration shell around nonpolar (hydrocarbon) solute gro

63 flow conditions, which disrupts a protective hydration shell around polymer molecules, releasing them

64 tropic" or "structure breaking" model of the hydration shell around the carbohydrates.

65 lkyl segments in polymer chains disrupts the hydration shell around the polymer, resulting in enhance

66 bservation of water dangling OH bonds in the hydration shells around dissolved nonpolar (hydrocarbon)

67 the creation of polaron states in solids or hydration shells around proteins in water.

68 cterized by a minimal overlap of the primary hydration shells around the peptide donor and acceptor a

69 branes as the ions are not stripped of their hydration shell as they interact with the membrane.

70 rce arises from coalescence and depletion of hydration shells as two filaments approach, whereas loca

71 e number of water molecules in the headgroup hydration shell, as a function of hydration level, suppo

72 e larger fraction of water within the cation hydration shell at the interface in alkaline electrolyte

73 The outer-layer water of the hydration shell behave like a bulk and relaxes in hundre

74 The rest of AFP III's hydration shell behaves similarly to the hydration shell

75 re and depends primarily on the width of the hydration shell being perturbed.

76 by water ordering due to the small number of hydration shells between the cavity and protein substrat

77 d not merely by enhanced disorder within the hydration shells but also by partial displacements of su

78 of physicochemical surface properties on the hydration shell by a systematic SAXS/SANS study using th

79 re systematically displaced from the protein hydration shell; by identifying protein regions that rel

80 , the complex of a Ca(2+) ion with its inner hydration shell, Ca(2+)(H(2)O)(6), interacts electrostat

81 iations in the thermodynamics of the complex hydration shell changes accompanying the H-->Me replacem

82 tering experiments, that fluctuations in the hydration shell control fast fluctuations in the protein

83 vation enthalpy, whereas the protein and the hydration shell control the activation entropy through t

84 Hydration-shell-coupled fluctuations are similar to the

85 ed or alpha-fluctuations and the second type hydration-shell-coupled or beta-fluctuations.

86 l groups by borate suppresses the long-range hydration shell detected by terahertz absorption.

87 Retarded water dynamics in the large hydration shell does not favor freezing.

88 entary techniques to study biomacromolecular hydration shells due to their sensitivity to electronic

89 Different sources of heterogeneity in the hydration shell dynamics are determined.

90 The usual simplifying assumption that hydration shell dynamics is much faster than DNA dynamic

91 Hydration shell dynamics plays a critical role in protei

92 ter such as bulk solvent viscosity and local hydration shell dynamics.

93 ide a nearly quantitative description of the hydration shell dynamics.

94 A weaker restructured hydration shell extends up to 15 angstrom.

95 ut with the same energy barriers, indicating hydration shell fluctuations driving protein side-chain

96 ved to bulk motions and the other coupled to hydration-shell fluctuations, implies that the environme

97 nt, k(wex), for water molecules in the first hydration shell follows an inverse power-law mass depend

98 ollow the stripping away of the cation/anion hydration shells for an NaCl electrolyte at the Au surfa

99 and tissues while maintaining constituents' hydration shells for in situ structural biology downstre

100 energy barriers arising from removal of the hydration shell, formation of highly curved structures,

101 fourth water molecule in hydroxide's primary hydration shell from a combined study based on high-reso

102 er of water molecules in hydroxide's primary hydration shell has been long debated to be three from t

103 While the dynamics of the hydration shell have been described by spectroscopic tec

104 Water molecules within the first hydration shell have increased hydrogen bonding structur

105 clear evidence that at low temperatures the hydration shells have a hydrophobically enhanced water s

106 ly explains why NMR efforts to detect alkane hydration shells have failed.

107 that the bond-orientational order of the ion hydration shell highly develops for specific ion size an

108 ol is found to enhance the disruption of its hydration-shell hydrogen bond network.

109 ss peaks indicate that only a portion of its hydration shell (i.e., at the ice-binding surface) is in

110 A theoretical proposal for a characteristic hydration shell in this axial region, called the meso-sh

111 ving through the sub-nanopore with distorted hydration shells in a correlated way.

112 Hydration shells in both the major and minor grooves wer

113 ll as the critical importance of the anions' hydration shells in governing binding affinity and enant

114 Ion hydration shells in the kosmotropic solutions are restru

115 le information about the properties of these hydration shells, including modifications in density and

116 2+) increases water persistence times in the hydration shell, indicating that aSyn aggregation propen

117 e the helix was found to have a well-defined hydration shell involved in the stabilization of the int

118 The compressibility of water in the protein hydration shell is accounted for by a linear combination

119 The hydration shell is an integral part of proteins since it

120 ion corresponds to the point where the first hydration shell is filled.

121 sed version is given here in which a dynamic hydration shell is formed by van der Waals (vdw) attract

122 odide concentration in the first hydrophobic hydration shell is generally lower than that in the surr

123 The vdw hydration shell is implicit in theories of hydrophobicit

124 combined analysis of our data shows that the hydration shell is locally denser in the vicinity of aci

125 While most of the hydration shell is moderately retarded with respect to t

126 We infer that the protein hydration shell is more resistant than bulk water to cha

127 negative potentials, stripping of the Cl(-) hydration shell is observed only at higher potential val

128 et passes the protons in the protein and the hydration shell it exchanges energy with the protein dur

129 ently separate same-charge ions with similar hydration shells, it remains a challenge to mimic such e

130 tein reports on the mobility of water in the hydration shell; it reveals a shift in emission spectra

131 This ordering drastically stabilises the hydration shell; its degree changes the water residence

132 In the presence of an adequate hydration shell, large structural changes in the protein

133 method uses what we consider a new implicit hydration shell model that accounts for the contribution

134 ate near convex surface patches, whereas the hydration shell near flat surfaces fluctuates between cl

135 g(2+) are separated from the RNA by a single hydration shell, occupying a thin layer 3-5 A from the R

136 This behavior establishes that the primary hydration shells occur at n = 3 and 4 in hydroxide and f

137 -bond dynamics of water molecules within the hydration shell of a B-DNA dodecamer, which are of inter

138 t fibrillation through affecting the dynamic hydration shell of Abeta(1-42) in vitro.

139 ese amorphous nanoparticles are covered by a hydration shell of bound water molecules.

140 ld to regulate ion transport and disrupt the hydration shell of Ca(2+), enhancing its reaction with C

141 ion of the number of waters within the first hydration shell of Cl(-) while it permeates the pore.

142 that hydration sites predicted in the first hydration shell of DNA mark the positions where protein

143 glycerol is preferentially excluded from the hydration shell of free HPT and HPT localized in the dip

144 odds with the slowdown observed in the first hydration shell of iodide in solution, can be traced bac

145 channel signature sequence, approximates the hydration shell of K+ ions.

146 ons of macromolecular hydration, because the hydration shell of many biomolecules does not freeze tog

147 I's hydration shell behaves similarly to the hydration shell of non-ice-interacting proteins such as

148 fects from water reorganization in the first hydration shell of protein-ligand complexes can have a s

149 Conventional views hold that the hydration shell of small hydrophobic solutes is clathrat

150 the remaining three water molecules from the hydration shell of the anion.

151 Moreover, the hydration shell of the chemically identical carboxylate

152 water molecules from the bulk phase into the hydration shell of the DNA.

153 Evaluation of the hydration shell of the duplex with bond valence calculat

154 fect is attributed to loss of water from the hydration shell of the insulin hexamer with increasing t

155 Water dynamics in the hydration shell of the peripheral membrane protein annex

156 water molecules are expelled from the first hydration shell of the protein.

157 Water densities in the first hydration shell of the three largest clusters are greate

158 cuss our results in the light of the role of hydration shell of water around RNA.

159 preserve the integrity of the structures, a hydration shell of water molecules was included as part

160 idence that some dynamics are coupled to the hydration shell of water, supporting the idea that the b

161 anoscale confinement and strongly compressed hydration shells of ions.

162 scopic features arising from the hydrophobic hydration shells of linear alcohols ranging from methano

163 d to the release of water molecules from the hydration shells of Mg2+ and the polynucleotides.

164 ematically displace water molecules from the hydration shells of nanostructured solutes and calculate

165 We present a study of the hydration shells of some carbohydrate polymers of commer

166 ydrogen bond network in the first and second hydration shells of the cavity occupied by the localized

167 de ions are strongly expelled from the first hydration shells of the hydrophobic (methyl) groups, whi

168 olecular simulations to demonstrate that the hydration shells of the IgG-binding domain of Protein G

169 in bulk water) extend well beyond the first hydration shells of the ions that trigger them.

170 teractions between the channel walls and the hydration shells of the ions, and water transport become

171 i.e. the release of water molecules from the hydration shells of the molecules.

172 ng structures and energetics of the proximal hydration shells of the monomer and dimer from a recent

173 A space-filling model is given for the hydration shells on linear alkanes.

174 of free water molecules-those not engaged in hydration shells or hydrogen-bonding networks-leading to

175 A primary hydration shell (PHS) approach is developed for Monte Ca

176 locally enhanced sampling (LES) in a primary hydration shell (PHS) aqueous environment is developed a

177 It is well established that the dynamic hydration shell plays a vital role in macromolecular fun

178 together with Raman mapping of TEG-templated hydration shells point to a key role of the cross-linked

179 Earlier work showed that hydration shells produce the hydration energetics of alk

180 ectroscopic techniques, the structure of the hydration shell remains less understood due to the lack

181 concentrations up to 500 mg/mL, the protein hydration shell remains remarkably dynamic, slowing by l

182 hydrogen-bond structure and dynamics in ion hydration shells remains elusive.

183 l remains less understood due to the lack of hydration shell-sensitive structural probes with high sp

184 a(+)>Li(+) potentially reflecting changes in hydration shell size.

185 generation AMBER force field combined with a hydration shell solvation model.

186 Hydration shell spectra and theoretical vibrational freq

187 ics simulations and experimental vibrational hydration shell spectroscopy, which reveal substantially

188 Thus, the hydration shell structure of fluorinated methyl groups r

189 show that the crystal structure dictates the hydration shell structure.

190 nd change protein activity, its influence on hydration-shell structure and thermodynamics remains an

191 Here we show how to access the hydration shell structures around colloidal nanoparticle

192 Examination of the shapes of the hydration shell suggests that there is no single stable

193 The dynamics of water molecules within the hydration shell surrounding a biomolecule can have a cru

194 namics simulations show a high density first hydration shell surrounding both solutes.

195 nce of the isothermal compressibility of the hydration shell surrounding globular proteins on differe

196 e hydration state with a smaller (or weaker) hydration shell surrounding the peptide at higher temper

197 n bonds and consequent reorganization of the hydration shell surrounding the SPs.

198 changes in the water molecules in the first hydration shells surrounding these solutes.

199 proportional, variant q(-2.5) for the first hydration shell, tau proportional, variant q(-2.3) for p

200 relatively slower water dynamics within the hydration shell than a similar beta-sheet protein, which

201 tion sphere promote the formation of a local hydration shell that facilitates the protonation of CO(2

202 The structurally and dynamically perturbed hydration shells that surround proteins and biomolecules

203 For coupled hydration shells, the LCST phase transition characterize

204 (+), in contrast, maintains only the primary hydration shell throughout the entire phase diagram.

205 tuations of water molecules removed from the hydration shell, thus distinguishing lignin collapse fro

206 Ion transport proteins must remove an ion's hydration shell to coordinate the ion selectively on the

207 model that accounts for the contribution of hydration shell to SAXS data accurately without explicit

208 d phospholipids, and compare dynamics in the hydration shells to bulk water.

209 ons require access of cations or their first hydration shells to faces of nucleic acid bases.

210 dide ions are found to enter the hydrophobic hydration shell, to an extent that depends on the methyl

211 minor groove, coordinating to bases via its hydration shell, two magnesium ions are located at the p

212 nal, and bond-orientational orderings of ion hydration shell under the competition between ion-water

213 Hydration-shell vibrational spectroscopy provides an exp

214 After the phosphocholine hydration shell was filled at approximately 12 waters pe

215 ased into the bulk and water fraction in the hydration shell was increased.

216 Molecular dynamics analysis of the first hydration shell water dynamics shows spatially heterogen

217 re used to expose molecular level changes in hydration shell water interactions that directly relate

218 While smaller ions bind their first-hydration-shell water molecules more tightly than larger

219 series ions in which hydrogen bonding among hydration shell waters is modulated by several factors.

220 mean square angle of hydrogen bonds between hydration shell waters were used to compute dCp for thes

221 me temperature dependence as fluctuations of hydration shell waters.

222 anions can dispense with a fraction of their hydration-shell waters, rearrange those that remain, and

223 nteractions within and between the first two hydration shells were measured as a function of distance

224 Historically, hydrophobic hydration shells were thought to resemble solid clathrat

225 lsive water structures beyond at least three hydration shells which is farther-reaching than previous

226 dependent on the stability of the protein's hydration shell, which can dramatically vary between dif

227 h the idea that ubiquitin is surrounded by a hydration shell, which separates it from the bulk ice.

228 ovide a novel structural view of the protein hydration shell, which underlies temperature-dependent p

229 olecular origin based on the robustly formed hydration shells, which is likely applicable to a broad

230 e premise that K(+) ions maintain a complete hydration shell while passing between the transmembrane

231 precisely its capacity to preserve a robust hydration shell, whose stability is abolished by a singl

232 tions show that the breakdown of hydrophobic hydration shells, whose structure is determined by the u

233 the fluctuations in the bulk solvent and the hydration shell with broadband dielectric spectroscopy a

234 ute concentration solutions models the first hydration shell with the 2.0 M spectra.

235 tionally inverted relative to clathrate-like hydration shells, with unsatisfied hydrogen bonds that a