ライフサイエンスコーパス: hydration shell

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

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

3 the visualization of a nearly complete first hydration shell.

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

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

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

7 308 coordinates the cation through the first hydration shell.

8 distribution of water molecules in the first hydration shell.

9 nct structural change upon completion of the hydration shell.

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

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

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

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

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

15 ed because of skepticism about the clathrate hydration shell.

16 y to encode information into the surrounding hydration shell.

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

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

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

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

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

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

23 iomolecules are strongly influenced by their hydration shells.

24 ing coupling between side chain and backbone hydration shells.

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

26 which the bromide counterions maintain their hydration shells.

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

62 Hydration-shell-coupled fluctuations are similar to the

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

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

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

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

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

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

69 Hydration shell dynamics plays a critical role in protei

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

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

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

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

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

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

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

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

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

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

80 Hydration shells in both the major and minor grooves wer

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

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

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

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

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

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

87 The vdw hydration shell is implicit in theories of hydrophobicit

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

107 Moreover, the hydration shell of the chemically identical carboxylate

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

139 For coupled hydration shells, the LCST phase transition characterize

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

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

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

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

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

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

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

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

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

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

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

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

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

153 me temperature dependence as fluctuations of hydration shell waters.

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

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

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

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

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

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

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

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

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

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

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