ライフサイエンスコーパス: water molecule

1 ate followed by deacylation via an activated water molecule.

2 in binding and addition of the nucleophilic water molecule.

3 d when exciting the bending vibration of the water molecule.

4 dianion through a tetrahedrally coordinated water molecule.

5 nuclear Cu sites, occasionally with an extra water molecule.

6 drogen bonding between the Hsq(-) anions and water molecules.

7 ice I in clusters containing only around 90 water molecules.

8 structure to the ordering of the surrounding water molecules.

9 sters cause arrested dynamics in surrounding water molecules.

10 mino acid side chains, and the importance of water molecules.

11 ment of a normally conserved network of four water molecules.

12 uorophore and the surrounding side chains or water molecules.

13 t exhibit any proton loss to the interfacial water molecules.

14 displacement parameters of crystallographic water molecules.

15 o a uniform terminal velocity of the solvent water molecules.

16 cognition and removal of caC, many involving water molecules.

17 ctly related to the presence and exchange of water molecules.

18 nnels and shorten the transport distance for water molecules.

19 bases available as compared to the acid and water molecules.

20 engages the Tn-glycopeptide backbone through water molecules.

21 cy in blocking access to the active layer by water molecules.

22 sites capable of forming hydrogen bonds with water molecules.

23 nificant hydrogen bonding between MA and the water molecules.

24 gen-bonding interaction with the first-shell water molecules.

25 spectral diffusion in an extended network of water molecules.

26 interactions with the protein or surrounding water molecules.

27 om lone pair electrons on the oxygen atom of water molecules.

28 complex is bound by one to four interfacial water molecules.

29 ilitated electron-hole reduction of adsorbed water molecules.

30 ) of activation and the release of 78 +/- 4 water molecules.

31 oscopy, highlighting the role of intervening water molecules.

32 n sites that, at neutral pH, are filled with water molecules.

33 ocket is virtually vacated, thus free of any water molecules.

34 ich one phosphate replaces both inner-sphere water molecules.

35 sions approaching the size of small ions and water molecules.

36 rotameric conformations and identify ordered water molecules.

37 o positions of free acid groups and included water molecules.

38 based copolymers in the presence of confined water molecules.

39 hydrogen-bonded dimethylammonium cations and water molecules.

40 rporating a flexible description of explicit water molecules.

41 activity correlates with a loss of conserved water molecules.

42 hen it would have contained more than 10(24) water molecules.

43 and demonstrate pathways for the passage of water molecules.

44 interface modeled by a water droplet of 191 water molecules.

45 t unusual repulsive interactions between the water molecules.

46 hydration of the Gly dimer with up to three water molecules.

47 counterparts, but also with the surrounding water molecules.

48 ther proteins in solution and with solvating water molecules.

49 oherent emission of electromagnetic waves by water molecules.

50 alization of Mg2+ ions and their coordinated water molecules.

51 arrowia lipolytica containing 275 structured water molecules.

52 he binding energy of clusters of up to eight water molecules.

53 es are covered by a hydration shell of bound water molecules.

54 t solvation with varying numbers of explicit water molecules.

55 operties encoded within the structure of the water molecule?

56 onfinement becomes comparable to the size of water molecules(1-22).

57 ity between the atomic-scale capillaries and water molecules(20,21).

58 arged droplet consists of approximately 2400 water molecules, 22 hydronium ions, and 10 chloride and

59 established at virtually any position of the water molecule above the nucleobase skeleton, which is c

60 MR is an excellent technique for quantifying water molecules according to their interactions in the f

61 The water molecules act as an endogenous matrix in a matrix-

62 Surprisingly, we find that an additional water molecule acts to promote all the elementary steps

63 When a water molecule adsorbs to one zirconium atom, it partici

64 ween the polymer chains, while above 10% MC, water molecules aggregate together and create nano-dropl

65 face charge and a decreasing contribution of water molecules aligned by the surface charge.

66 Water molecules along the path of the energetic proton u

67 frequencies of the two OH groups on the same water molecule and establish that the bound OH companion

68 The diffusion of water molecules and clusters across the surfaces of mate

69 values are sensitive to interaction between water molecules and collagen network.

70 FI, hydrated hydronium ions consist of eight water molecules and have an effective volume of 0.24 nm(

71 attributed to a low barrier for the entry of water molecules and large slip lengths inside graphene c

72 These motions of local water molecules and polar side chains are continuously c

73 inetics, a catalytic mechanism involving two water molecules and residues histidine-42, arginine-38,

74 dependent on the inter-molecular coupling of water molecules and salt.

75 g the degree of alignment of the interfacial water molecules and the corresponding ice nucleation act

76 mediated by an extensive network of ordered water molecules and the first evidence of boronate compl

77 for stronger dispersion interactions between water molecules and the hydrophobic phase at the LCNE su

78 tion originates from the interaction between water molecules and the ionic substituents and shows a c

79 the intermolecular bonds formed between the water molecules and the MA act to hinder the rotation of

80 ng hydrogen bonding associations between the water molecules and the silica surface that prevent adso

81 This indicates that hydrogen bonds between water molecules and the tetrahedrally coordinated alumin

82 active site in DM leads to more active site water molecules and their associated hydrogen bond netwo

83 e in the coma may thus be linked directly to water molecules and their interaction with the solar win

84 experiments indicate the involvement of two water molecules and three protons, which undergo a relay

85 drogen-bonding interactions with interfacial water molecules and, in some conformations, share a brid

86 ss proton is shared by a cluster of internal water molecules and/or ionic E194/E204 carboxylic groups

87 large surface area, exceptional affinity to water molecules, and facilitated mass diffusion for the

88 tructures are built from hexagonal motifs of water molecules, and indeed, for water on metal surfaces

89 of the CH(3) OH + OH reaction catalyzed by a water molecule are computed as functions of temperature

90 Readily exchangeable water molecules are commonly found in the active sites o

91 Whereas the interactions between water molecules are dominated by strongly directional hy

92 The hallmarks for characterizing water molecules are examined, and computational tools fo

93 Simulations predict that internal water molecules are exchangeable with the bulk solvent b

94 First, interprotein water molecules are expelled to the bulk, resulting in a

95 Water molecules are found to play an important role in t

96 Water molecules are found to preferentially flow in sing

97 Highly coordinated water molecules are frequently an integral part of prote

98 Thermodynamically stable phases of clustered water molecules are localized at some of the defects in

99 Like simpler liquids, water molecules are nearly spherical and interact with e

100 In addition, ~400 water molecules are resolved in the CryoEM map, localize

101 dium pentoxide nanofibres, intercalated with water molecules, are complemented by 2D graphene oxide (

102 how enzyme-substrate interactions, including water molecules, are impacted by depleting the conserved

103 tructure with 7a, an unusual organization of water molecules around the bioisostere arises compared t

104 ts were based on an exchanging Ln(3+) -bound water molecule as the CEST antenna but this design often

105 We adopt a set of terminology that describes water molecules as being "hot" and "cold", which we have

106 chromophore, the surrounding amino acids and water molecules as well as their hydrogen bonding networ

107 , and it is sensitive to the adsorbates like water molecules, as well as transferred Pt from the tip

108 within the selectivity filter of KdpA and a water molecule at a canonical cation site in the transme

109 a strongly accepting hydrogen bond with one water molecule at the nitrogen lone pair but only weakly

110 ic, because an explicit inclusion of several water molecules at the density-functional theory level i

111 Moreover, water molecules at the interface between some key hydrop

112 s originate from very weakly hydrogen-bonded water molecules at the nominally hydrophilic silica inte

113 g to dissociatively and molecularly adsorbed water molecules, based on theoretical predictions.

114 s with the substrate, displacing interfacial water molecules before binding to the surface.

115 ound coupled with uniquely easy migration of water molecules between the layers allows for ion exchan

116 2) to S(3)) cofactor oxidation is coupled to water molecule binding to Mn1.

117 ed one-dimensional chains of hydrogen-bonded water molecules bridging between cobalt atoms.

118 t F(-)/E148 interaction or the modulation of water molecules bridging the two anions.

119 ve paraCEST agent that lacks an inner-sphere water molecule but contains one Ln-bound -OH group for C

120 tion of water phase not only immobilized the water molecules but also enhanced the rate of fat crysta

121 carbene is the reaction of the triplet with water molecules by annealing water-doped matrices at 25

122 tween saccharides and cations in presence of water molecules, by a quantum mechanics approach.

123 Water molecules can arrange into a liquid with complex h

124 ts at aqueous interfaces, where neighbouring water molecules can be undercoordinated.

125 inspection of signals originating from these water molecules can be used to reveal the surface charge

126 MD simulations show that one to two water molecules can enter the hydrophobic cavity of alph

127 ategically designed and synthesized to probe water molecule catalyzed excited-state proton transfer i

128 Each pore holds a string of water molecules centred at kinked helices in two inverte

129 s surrounded by a hydrogen-bonded network of water molecules, chloride ions, and amino acid residues.

130 ong coherent rotational dynamics of isolated water molecules confined in C(60) makes this system an a

131 The disruption of ordered water molecules confined within hydrophobic reaction poc

132 Importantly, two water molecules contact a carboxylate oxygen of caC and

133 conformational state of buried ion-pairs and water molecules control the protonation dynamics in the

134 tity of the catalytic general acid: either a water molecule coordinating a Mg(2+) ion bound at the Wa

135 nto the pocket to capture putatively present water molecules could not collect any evidence for a bou

136 rch granules to a more open structure, where water molecules could penetrate easier within the microp

137 tions and molecular excitations of hydrating water molecules cover a broad range in space and time, f

138 A . (H(2)O)n complexes, we conclude that the water molecules dampen the rotational motion of the MA a

139 between a so-called Stern layer of ions and water molecules directly adsorbed on to the solid's surf

140 ar region of AOT and surrounding interfacial water molecules display nearly identical behavior at bot

141 erogeneity in this pore-confined water, with water molecules displaying variable mobility as a functi

142 Further addition of water molecules does not significantly alter the observe

143 intermediates through hydrogen bonding with water molecules during hydride transfer from the Co cent

144 dict the dissociative adsorption of a single water molecule (E ads = 1.64 eV), forming an (OH)ads gro

145 r understand the hydrolysis of PLA driven by water molecules either in liquid or in vapour state.

146 -time coherent rotational motion of isolated water molecules encapsulated in fullerene-C(60) cages by

147 nd the thermogravimetric analysis shows that water molecules essential for the lipase activity can be

148 Metal-bound water molecules facilitate the PCET necessary for outer-

149 Instead, transient loss of some water molecules facilitated K(+) permeation through the

150 s generates a large amount of weakly bounded water molecules, facilitating the water evaporation.

151 we show experimentally that approximately 80 water molecules flood rhodopsin upon light absorption to

152 eral base in the active site to activate the water molecule for nucleophilic attack?

153 h heterostructure, which spontaneously split water molecules for accelerated Volmer H-OH dissociation

154 itical importance of lipophilic hotspots and water molecules for these peptidergic GPCR targets.

155 These water molecules form two kinds of polar networks that ar

156 see text]) and between the ionic liquid and water molecules ([Formula: see text]) for the [EMIM][MeS

157 h was about 20% larger than that between the water molecules ([Formula: see text]) in the [EMIM][MeSO

158 ction energy between the [EMIM][MeSO(3)] and water molecules ([Formula: see text]) was found to be in

159 oxidation by restricting the interaction of water molecules from the edges of Ti(3)C(2)T(x).

160 sampling methods to systematically displace water molecules from the hydration shells of nanostructu

161 halation was complete by rapid desorption of water molecules from the sensor surface.

162 In dormancy, the hydrogel harvests water molecules from the surrounding air to regenerate i

163 reactions, we determine that an encapsulated water molecule generates electric fields that contribute

164 omplex, sequentially activates two substrate water molecules generating molecular O2.

165 In our simulations, the ions and the water molecules have been explicitly represented and the

166 al surfaces, individual hexamers of just six water molecules have been observed.

167 l solvent instead of ML or n-Hp, interfacial water molecules have larger nucleophilicity due to the h

168 of a ridged lateral arrangement of adsorbed water molecules hydrogen bonded to terminal aquo groups.

169 nabled us to determine how transiently bound water molecules impact the rate and mechanism of SOD cat

170 revealing the important assisting role of a water molecule in its own dissociation process on a meta

171 ecise coordination and exact location of the water molecule in the active center of proton pumps, whi

172 tiated O-O cleavage mechanism where a single water molecule in the active site enables proton transfe

173 We identified a water molecule in the coelenteramide-binding cavity that

174 but rather caused by the participation of a water molecule in the rate determining transition state,

175 ies to inspect the localization of lipid and water molecules in aquaporin systems, the binding of cho

176 s summary features guidelines for exploiting water molecules in drug discovery.

177 s of diverse GPCRs, we show that most of the water molecules in GPCR crystal structures are highly mo

178 ty, hydrogen bonds, hydrophobic effects, and water molecules in interactions with proteins.

179 two gold-ion-induced hydrogen bonds with the water molecules in interfacial and bulk environments, re

180 d phases, e.g. lithium ions in electrolytes, water molecules in membranes, molten atoms at interfaces

181 ale ion channel, the active role of discrete water molecules in modulating hydrodynamic behaviors of

182 Over the past decade, the crucial roles of water molecules in protein structure, function, and dyna

183 ch to the design model with the exception of water molecules in the amantadine binding site not inclu

184 e of the differential stability of conserved water molecules in the bromodomain binding site.

185 type, but also yields more space for Ryd and water molecules in the cavity.

186 e differential affinity of crystal facets to water molecules in the first solvation shell, which affe

187 utational study of interaction of a SO2 with water molecules in the gas phase and with the surface of

188 pressed electronic response when compared to water molecules in the gas phase.

189 low-frequency rotational dynamics of single water molecules in the gas phase.

190 ly used to investigate diffusion patterns of water molecules in the human brain.

191 the detailed composition of amino acids and water molecules in the hydrated protein films can be cha

192 S) supports the presence of restricted/bound water molecules in the loop region of the VSD in micelle

193 two dianionic sulfate anions bridged by two water molecules in the solid state.

194 lar dynamics simulations have confirmed that water molecules in the vicinity of methane form stronger

195 serves as a hot-spot for the dissociation of water molecules in water-alkali HER.

196 le trypsin binding is mediated by an ordered water molecule, in thrombin, water is scattered over thr

197 in pores <0.24 nm in diameter-the size of a water molecule-indicating that permeating ions have a gr

198 emonstrate that cofactor oxidation regulates water molecule insertion via binding to Mn4.

199 d networks between the DNA molecules and the water molecules inside the cavities of the ZIF-8, but ve

200 by a temperature-driven rearrangement of the water molecules inside the channel.

201 ally, for the blocking-residue Tyr31 and the water molecules inside the pore, both LT and RT data set

202 However, water molecules interact with the phosphopeptide in the

203 drous crystal converts to a crystal hydrate, water molecules internalize into the crystal structure r

204 ese residues may facilitate the transport of water molecules into the hydrophobic core of the membran

205 as a general base in the deprotonation of a water molecule involved in the cleavage, and not as nucl

206 The water molecules involved in the enhanced hydrogen bonds

207 omolecules and the solvent and the number of water molecules involved in these exchanges.

208 material-dependent frictional interaction of water molecules, ions and the confining surfaces to expl

209 egion is a manifestation of how profoundly a water molecule is distorted when embedded in its extende

210 fter prolonged periods of time showed that a water molecule is essential to maintain the decarboxylat

211 The residence time of the Cd(2+)-bound water molecule is tens of nanoseconds at 20 degrees C in

212 hat the function of the coelenteramide-bound water molecule is to catalyze the 2-hydroperoxycoelenter

213 at a dynamically distinct network of 9 +/- 1 water molecules is present within the nanocavity of the

214 that the extreme dynamical heterogeneity of water molecules is preserved over distances as small as

215 ase) determines the rate at which the 'lytic water' molecule is activated and OH- nucleophile is gene

216 dinating amino acid residues and most nearby water molecules largely unaffected, resulting in a pre-o

217 s the rate-limiting nucleophilic attack of a water molecule, leading to a short-lived intermediate th

218 cation (MA) as it coordinates with invading water molecules (MA.(H(2)O)(n), n = 1, 2, 3, 4) using bo

219 oxygen atom, and its remaining inner-sphere water molecules make hydrogen bonding interactions with

220 is coordinated by three residues and by one water molecule, making the non-OR region more exposed to

221 undling separates these two water pools, and water molecules must diffuse along the fibril axis befor

222 Several water molecules near the G protein-coupling interface, h

223 investigate the orientation and dynamics of water molecules next to 4 types of protein surface domai

224 hese water chains nucleate pore filling, and water molecules occupy the entire pore interior before t

225 Adsorption followed by condensation of the water molecules of the humid air on the paper-sensor dur

226 odels were utilized to address the effect of water molecules on prominent reaction steps and their as

227 methanol at the interface and the effect of water molecules on the different interfacial interaction

228 ect measurement of the influence of absorbed water molecules on the overall lattice dynamics has been

229 s the protein by preferentially distributing water molecules on the surface of the protein.

230 network of hydrogen-bonded interactions with water molecules on the surface, with the lowest-energy s

231 tures the energetic effects of these ordered water molecules on the surfaces of proteins.

232 by two pyrene linkers and the hydroxyls and water molecules on the Zr(6) nodes, which are capable of

233 ne iron ligand is a potentially exchangeable water molecule or hydroxide.

234 e backbone, amino acid side chains, internal water molecules, or cofactors.

235 how that with the involvement of interfacial water molecules, organic acids can react with SO(3) and

236 ater occurs even in the presence of only one water molecule per acid site.

237 n on ice has been determined as 1500 (+/-8%) water molecules per Ar(1800)(+) ion, consistent with our

238 nal at 9 ppm was observed at loadings of 2-9 water molecules per Bronsted acid site and is assigned t

239 s revealed that PAH[4]s can transport >10(9) water molecules per second per molecule, which is compar

240 le allowing fast water permeation (ca. 10(9) water molecules per second) on the same magnitude as tha

241 e forces involved has evolved, the role that water molecules play in the mechanical unfolding of biom

242 Notably, a highly ordered water molecule plays an important role in an active site

243 ary hydronium (H3O(+)) and product ions with water molecules present in the sample gas.

244 rged amino acids and containing a cluster of water molecules, presumably being a primary proton accep

245 the axial pyridine ligands are exchanged by water molecules, producing a delamination of the materia

246 ty of 1 sub-nm channel nm(-2) , TPT CNMs let water molecules rapidly pass, while the translocation of

247 s solvent-accessible, and a larger number of water molecules reached and left the binding pocket.

248 hemiacetal adducts and also indicating that water molecules released along the reaction pathway are

249 In the denser films, water molecules relied only on the on-and-off channels t

250 polarizable force fields also revealed that water molecules remaining within dewetted sections of th

251 preferred hydrogen-bond networks formed when water molecules sequentially bond to the sugar dimer.

252 controllable interaction between the gel and water molecules, simultaneously realizing efficient vapo

253 that during the growth process of graphene, water molecules, sourced from ambient humidity or transf

254 perhaps to be expected because the adsorbed water molecules stabilize the low-coordinated surface at

255 ndeed contained an aquo ligand with a second water molecule stabilized by hydrogen bonding to a Gln s

256 rb the hydrogen bonding involving the buried water molecules stabilizing the constricted conformation

257 an effective method to regulate migration of water molecules, such design represents a novel strategy

258 and, in some conformations, share a bridging water molecule, suggesting that the primary proton accep

259 the interlayer gap of alpha-MoO(3), in which water molecules take the place of lattice oxygen of alph

260 Below 10% MC, water molecules tend to break hydrogen bonds between pol

261 selectivity is caused by interfering with a water molecule that binds more strongly to the off-targe

262 rate coordination, with participation of two water molecules that bridge hydrogen bonds between the l

263 We show the absence of intercalating water molecules that cause the electrostatic screening (

264 n-relay pathway for ubiquinone reduction and water molecules that connect mechanistically crucial ele

265 tional red-shift of the dangling OH from the water molecules that straddle the air-water interface re

266 The collective "single-file" motion of water molecules through natural and artificial nanocondu

267 cause of the technical challenge of tracking water molecules through the channel.

268 ly change upon the addition of just a single water molecule to the dimer.

269 ich, in turn, is hydrogen-bonded via another water molecule to Tyr-131.

270 identified the contribution of surface-bound water molecules to bands in the far-IR and, through the

271 h additionally requires collective motion of water molecules to create a dry binding interface.

272 the active site volume, allowing additional water molecules to enter.

273 g ZIPB by microsecond X-ray pulses activated water molecules to form covalent hydroxyl radical adduct

274 oad range in space and time, from individual water molecules to larger pools and from femtosecond to

275 so revealed the binding of the two substrate water molecules to the cluster.

276 of the zigzag edge, involve the addition of water molecules to the existing edge and a collective br

277 nced with more protein ligands or one or two water molecules, to determine which structure fits two s

278 ion of this external enforcement to explicit water molecules, together with the coupling to a thermos

279 or a mechanism involving direct binding of a water molecule trans to the oxo atom in 2 with subsequen

280 The dynamic behavior of surface-bound water molecules under each study environment is identifi

281 actions are greatly facilitated by condensed water molecules under wet ambient conditions, causing lo

282 n of Ca levels, and the release of CO(2) and water molecules upon decomposition.

283 reveal the facile deprotonation of multiple water molecules via hydroxylation of the cluster oxo bri

284 o the case of hydrogen bonding among solvent water molecules, we find that energy mismatch between oc

285 In the size range from 90 to 150 water molecules, we observe mixtures of largely crystall

286 e in-plane elastic response is controlled by water molecules whereas the transverse response is mainl

287 ered water structures for up to 1000 trapped water molecules, which is stabilized by the spatial conf

288 ubnanometer pores for efficient transport of water molecules while blocking solute ions or molecules

289 ., aquaporins) that preferentially transport water molecules while rejecting even the smallest hydrat

290 Notably, in one structure, an ordered water molecule with a high GIST displacement penalty was

291 The geometry optimization of a water molecule with a novel type of energy function call

292 From the DTG curve strong interaction of water molecules with proteins of egg white was revealed.

293 + H(2)O using a cluster model containing 21 water molecules with the help of high-level ab initio ca

294 fluoride originates from the interaction of water molecules with the uranyl ion based on this analys

295 ype II indirect binding through interstitial water molecules, with key binding residues Thr77, Val78,

296 including the displacement of all conserved water molecules within the active site and a halogen-bon

297 observing differing arrangements of PEG and water molecules within the active site.

298 al structure reveals the presence of ordered water molecules within the peptide binding site.

299 -resolution crystal structures, which reveal water molecules within the transmembrane pores, which ca

300 onally the translational dynamics of vicinal water molecules within the volume of a supramolecular pe