ライフサイエンスコーパス: protonation

1 ed conformations, depending on the degree of protonation.

2 thalimide N-oxyl radical (PINO) by effect of protonation.

3 orm but showed significant diatropicity upon protonation.

4 AO/STO) interfaces, regulated by LAO surface protonation.

5 somerization, and regio- and stereoselective protonation.

6 on of a conserved glutamate (Gluex) upon its protonation.

7 facing conformation, emulating the effect of protonation.

8 form a hydride as the NO shields the Fe from protonation.

9 ility that utilizes both tautomerization and protonation.

10 nce, appeared to be associated with Asp(808) protonation.

11 lladium-catalyzed decarboxylative asymmetric protonation.

12 when its acidic residues were neutralized by protonation.

13 eutral semiquinone, both of which involve N5 protonation.

14 e electrostatic potential at the position of protonation.

15 As suggested by DFT, upon protonation, a spin transition occurs to generate a puta

16 een investigated as well as the influence of protonation and adduct formation on the conformations of

17 Protonation and alkylation occur either at the metal or

18 Protonation and alkylation of (Idipp)Si horizontal lineS

19 of the mechanism is the relationship between protonation and binding of the cargo galactopyranoside.

20 produced through a series of water-assisted protonation and bond dissociation steps at modest voltag

21 se, Ru-dihydride Me-3 is much more stable to protonation and can even be observed under neutral condi

22 ns in glacial acetic acid apparently enabled protonation and complete solvation.

23 fy putative Na(+) binding sites and show how protonation and conformational changes gate the ion thro

24 The structure suggests sequential protonation and deprotonation of the c-ring, with ATP-hy

25 The NH2 units can be released as NH3 upon protonation and exchanged with exogenous N2H4.

26 h show that the energy differences between O-protonation and N-protonation are very small.

27 ing 1,3-diene complexes can undergo a second protonation and nucleophilic addition with a range of nu

28 lex conformational dynamics dependent on its protonation and oxidation state.

29 d species derived from a different degree of protonation and oxidation states.

30 can be controlled orthogonally by light and protonation and produce desired electrical output at roo

31 s makes reductions easier, but redirects the protonation and reduction to sites that postpone the act

32 e (WT) channel but has significantly altered protonation and tautomeric equilibria at H37.

33 additives, which are normally used to favor protonation and therefore detection of reaction partners

34 insight into the formation of such sites by protonation and/or electronation is therefore of signifi

35 answers to fundamental questions, including protonation and/or H-bonding aspects, which accompany el

36 2 to examine the effect of alkali-insertion, protonation, and hydration to derive the thermodynamic c

37 th the fast phase corresponding to the His37 protonation, and the slow phase associated with the subs

38 ergy differences between O-protonation and N-protonation are very small.

39 evoid of global aromatic character, but upon protonation aromatic mono- and dicationic species were g

40 Conversely, our group showed that protonation, as well as other chemical reactions such as

41 e ligand, since this dynamic process governs protonation at either catalytically productive or non-pr

42 was about 2 orders of magnitude slower than protonation at endosomal pH, suggesting that a transport

43 Of particular interest, protonation at gold leads to an unprecedented cationic A

44 dihydrofolate reductase and established that protonation at N5 of H2F and hydride transfer to C6 occu

45 number of basic sites, requiring additional protonation at nonbasic residues.

46 e isomers that include salt bridges but also protonation at nonbasic residues.

47 osome where it became trapped as a result of protonation at pH 5.

48 he nonplanarity of the porphyrins induced by protonation at the central core of the porphyrin H4TPPA(

49 Concurrent protonation at the flavin N5 position alters the hydroge

50 X-ray diffraction data are consistent with protonation at the imine nitrogen, confirmed for 1a by s

51 orphyrin conjugated system, thereby favoring protonation at the meso carbon of the porphyrin ring to

52 tial, polarizes the N-N bond, and enables -N protonation at uncommonly anodic potentials.

53 A conjugate addition/asymmetric protonation/aza-Prins cascade reaction has been develope

54 We measure the deprotonation/protonation barriers of 0.36 eV and find that molecularl

55 ia [2 + 2] cycloaddition and indolamines via protonation based on solvent medium.

56 d a different mechanism at low pH, involving protonation before electron transfer and yielding a dist

57 Changes in protonation between the apo and holo forms suggest a the

58 ogenase mechanism of H2 formation by hydride protonation, but also illustrates a strategy for mechani

59 that reduction of Q is coupled to its local protonation by the His-38/Asp-139 ion pair and Tyr-87 of

60 f the boronate competing with concerted ipso protonation/C-B cleavage.

61 While the initial protonation can be achieved using weak proton sources li

62 er, these results demonstrate that histidine protonation can fine-tune pH-dependent switching in phys

63 groups with the pyridyl group stabilizes the protonation center, thereby increasing the intrinsic bas

64 Does further protonation change aromaticity of diazaborines?

65 of correctly addressing the binding-induced protonation changes in protein-ligand systems where bind

66 f proteins but has remained mostly silent to protonation changes in the aqueous medium.

67 In addition, protonation conditions determine the open probability of

68 The beta-ketoenamine moiety enables protonation control of electron delocalization through t

69 Protein-side-chain protonation, coupled to conformational rearrangements, i

70 ndings indicate a possibility for triggering protonation-coupled conformational switching in proteins

71 th coupling between ASQ formation and His378 protonation, dCRY displays reduced photoreduction rates

72 properties of side-chain triazole units via protonation-deprotonation.

73 diffusion through the channel, including the protonation/deprotonation of His37, are explicitly consi

74 processes: dissolution of solid doxorubicin, protonation/deprotonation of soluble doxorubicin, and pa

75 ionizable groups in GLP-1 suggest it is the protonation/deprotonation of the N-terminus that is resp

76 ect of the V61K mutation in proximity to the protonation/deprotonation site is considered.

77 thocyanins were reversible in the process of protonation/deprotonation.

78 king and unlocking of each state achieved by protonation/deprotonation.

79 g or irradiation with visible light gated by protonation/deprotonation.

80 es are excitable only beyond a threshold for protonation, determined by the pKa of the lipid head gro

81 ams that confirm that in this low E/n regime protonation does originate to a large extent from the wa

82 articular role played by each of them in the protonation-driven insertion process is not clear.

83 allow researchers to model multiple coupled protonation equilibria and to identify the underlying pH

84 ed pH dependence was further narrowed to the protonation equilibria of Asp(309) with a parallel set o

85 ating that the cytoplasmic domain shifts the protonation equilibria.

86 ethod is for constant pH simulation to study protonation equilibrium.

87 trobenzylic alpha-fluorocarbanions and, upon protonation, ethyl alpha-fluoro-alpha-nitroarylacetates.

88 r midpoint-potentials (-375 vs -418 mV); the protonation event (Hred/HredH(+)) has a pKa approximatel

89 ifferent pH values, we resolve the redox and protonation events in the catalytic cycle and determine

90 thanol as proton sources exhibit the largest protonation-first catalytic currents in combination with

91 This provides access to the thus far elusive protonation-first pathway, minimizing the required overp

92 ith trimethylsilylmethyl groups on nitrogen, protonation followed by desilylation generates exocyclic

93 bond length (1.462(3) A) barely changes upon protonation from 2 to 3, the O-O stretching frequency is

94 d from the palladium enolate intermediate by protonation from H2O2.

95 adhesion of the DNA to SWCNTs through direct protonation from solution, decreasing the driving force

96 e WT channel, consistent with faster reverse protonation from the C terminus.

97 By changing the degrees of freedom, protonation further affects the thermodynamic of the per

98 Conjugate addition followed by enolate protonation generated the corresponding beta-amino ester

99 This affect is attributed to the protonation Glu37, which exhibits an anomalously high pK

100 confirming our initial hypothesis that H223 protonation guards against early refolding.

101 Ferryl protonation has important ramifications for C-H bond cle

102 razido(2-) intermediate, which, upon further protonation, heterolytically cleaves the N-N bond to rel

103 - and 8-fold enhancement, respectively, upon protonation in a solvent system compatible with heavy hy

104 t peptide signalling cues are susceptible to protonation in future pH conditions, which will alter th

105 el residue N139 regulated by an interplay of protonation in the D-channel and K362.

106 residue N139 is regulated by an interplay of protonation in the D-channel and K362.

107 Stoichiometric tests indicate that protonation-induced hydrogen evolution from [H1](0) init

108 We found that extracellular protonation inhibits channel activation by approximately

109 ted TFA, and this observation indicates that protonation is occurring at the bridging carbons.

110 coupled to donor deprotonation and acceptor protonation is reported.

111 In this regard, it has been shown that protonation is required for binding.

112 This serves as an example where protonation-ligation events enhance protein-protein inte

113 rs alkene production, suggesting alternative protonation mechanisms.

114 t the 3.0 A resolution X-ray structures of a protonation-mimetic mutant of an H(+)-coupled DinF trans

115 Furthermore, protonation-mimicking mutations of acidic residues in th

116 The A.C protonation module allows extraction of new properties o

117 nce theory and activation of amides toward N-protonation (N-activation) by distortion.

118 ed a highly diastereoselective syn-selective protonation/nucleophile addition, thus ruling out long-l

119 react with the Pd(0)-quinone species (3) and protonation occurs at the quinone moiety indicating that

120 Upon protonation of (DMA)C, enhanced charge transfer results

121 Protonation of 3(-) liberates H2 gas and formaldehyde, t

122 experiments show that one-electron reduction-protonation of [(DCHIm)F8Fe(IV) horizontal lineO] occurs

123 The protonation of [1](0) initially produces unsym-[H1](+),

124 with ATP-hydrolysis-driven rotation causing protonation of a Glu residue at the cytoplasmic half-cha

125 re the additional steric bulk resulting from protonation of a substituent.

126 Protonation of a substituted cyclohexadien-1-one (1) lea

127 -OH complexes, we demonstrate the reversible protonation of a synthetic Fe(IV)-oxo species containing

128 a tris(phosphino)silyl ligand via the direct protonation of a terminally bound Fe-N2(-) complex.

129 eractions in the interfacial region modulate protonation of acidic residues of pHLIP responsible for

130 While never shown, protonation of adenines at position N1 has been hypothes

131 Protonation of all basic sites of the hybrid material ne

132 Protonation of amine groups doubles the strength of hydr

133 entary approach uncovered how changes in the protonation of amino acids at the complex interface shif

134 s of their inter-conversion are modulated by protonation of an aspartate residue, establishing the po

135 reoselective 1,2-addition reaction involving protonation of an ortho carbon followed by addition of a

136 cytoplasm-facing transition, facilitated by protonation of at least one of the essential membrane-em

137 ure is consistent with a mechanism involving protonation of C18 and pro-R hydride transfer from NADPH

138 conformational changes of EmrE subsequent to protonation of critical acidic residues in the context o

139 We found that the protonation of dioxygen by His396 via a proton-coupled e

140 cations [ArHC(+)-CH(X)CF3] takes place under protonation of E-/Z-2-halogeno-2-CF3 styrenes [ArCH hori

141 We find that protonation of E14 leads to extensive rotation and tilt

142 alculations clearly suggest that a preferred protonation of ethanol over the furan is a key step faci

143 l reactive complexes derived from the direct protonation of Fe-N2 and Fe-CN species at the terminal N

144 By contrast, the direct protonation of Fe-N2 species to Fe(N(x)H(y)) products th

145 lustrating a possible pathway leading to the protonation of Glu217 in the cytoplasmic half-channel, l

146 Thus, it is apparent that protonation of Glu325 specifically is required for effec

147 We provide experimental evidence that protonation of Glu37, a glutamate residue embedded in a

148 ng H223 acting as a modulator, affecting the protonation of H257 and preventing premature conformatio

149 Our previous studies a) identified protonation of H257 as a major component of the T domain

150 onic, unambiguously demonstrating C-terminal protonation of H37 in the mutant.

151 The response to protonation of His(14) is an increase in helix tilt, but

152 heaflavins are then predicted to perturb the protonation of His264.

153 sm involves flavin photoreduction coupled to protonation of His378, whose perturbed hydrogen-bonding

154 Specifically, protonation of histidine residues has been implicated in

155 ansmission, and is allosterically coupled to protonation of key channel activation residues, more tha

156 m exists between protonation of the base and protonation of Li2 O2 .

157 urs slowly via a alternate catalytic pathway-protonation of Mn(I)-COOH to form a cationic tetracarbon

158 Crystallographic evidence for the protonation of nearby Glu36 is also discussed, which was

159 tive endo-isomers, but decreases the rate of protonation of Ni(I).

160 iron or surface complexed Fe(2+) followed by protonation of nitrite via surface Fe-OH2(+) groups.

161 rearrangement of carbenium ions formed upon protonation of olefins.

162 ignature in low pH buffers (<6.3), where the protonation of one of the cytosine bases increases the s

163 Protonation of Os-N2(-) affords a structurally character

164 pound, and can be catalyzed by acids via the protonation of oxygen atom of the sulfonamide group.

165 AuNPs and can be reversely modulated through protonation of surrounding glutathione ligands.

166 hing of Tb(III)-centered luminescence due to protonation of Tb(III) complexes located close to silica

167 decreases because less entropy is lost upon protonation of the alkane.

168 Protonation of the amines and metal ion binding to amine

169 base such that an equilibrium exists between protonation of the base and protonation of Li2 O2 .

170 ished more than 50 years ago, suggested ipso protonation of the boronate as the mechanism for base-ca

171 Analysis of the data indicates that protonation of the buried histidine destabilizes both Pr

172 d a distribution of hydrogen atoms revealing protonation of the chromophore 4-hydroxybenzyl group in

173 g step of the process, which consists in the protonation of the Co(I) species.

174 We show that protonation of the conserved glutamic acid alters the pe

175 pKa values in the range 8.3-9.0, because of protonation of the coordinated serinate residue.

176 mental case examined herein, results for the protonation of the electrochemically generated stilbene

177 We find that the HER mechanism involves protonation of the electron rich molybdenum hydride site

178 calculate the coupled thermodynamics of the protonation of the extracellular-facing gating Glu (Ex)

179 ssbauer, XAS, and NRVS studies indicate that protonation of the Fe(IV)-oxo complex most likely occurs

180 ectly from [H1](0) and external acid or from protonation of the Fe-H bond in [H1](0) to give a labile

181 stability of the neutral blue semiquinone is protonation of the flavin N5 and strong H-bond formation

182 By protonation of the four histidines in acidic environment

183 A competing reaction is the protonation of the hydride [Fe-H-Fe] to make H2.

184 Protonation of the hydrosilane followed by liberation of

185 This "gated" process is triggered by protonation of the imino nitrogen and concomitant confor

186 A mutation that mimics protonation of the key acidic residue (D158N) was shown

187 ysis by a metal-activated water molecule and protonation of the leaving group by a histidine residue.

188 Protonation of the lumen-exposed residues of some photos

189 icity of the fluoride extrusion step through protonation of the naked fluoride.

190 o horizontal lineNH](+) complex is formed by protonation of the nitride.

191 roximal to the acidic proton in facilitating protonation of the nitride.

192 Protonation of the nitrogen of the metalated isoxazoline

193 ago, Bagryanskaya and colleagues showed that protonation of the nitroxyl fragment deactivated the alk

194 er occurs between olefins and naphthenes via protonation of the olefin and the transfer of the hydrid

195 High DeltapH activates NPQ by protonation of the protein PsbS and the enzymatic de-epo

196 Protonation of the pyridinyl nitrogen to form a pyridini

197 2 C6 H3 }4 ] (3-Et2 O) states through remote protonation of the pyrrole gamma-C pi-bonds.

198 ur experimental data suggest that reversible protonation of the resting state is likely occurring, an

199 id (anilinium, pKa = 10.6 in CH3CN) to avert protonation of the singly reduced species.

200 n into the sp(2)-C-H bond and intramolecular protonation of the sp(2)-C-B bond in 2-ammoniophenyl(ary

201 ctivity has been drastically changed through protonation of the strongly activating NH2 group, with H

202 In marked contrast, protonation of the substrate oxygen proximal to Mo in th

203 nor have M-NxHy complexes been derived from protonation of their M-N2 precursors.

204 imiting step of the HER is the reduction and protonation of these disulfide units.

205 xhibit lower stability and cysteine thiolate protonation on reduction.

206 ed by disrupting the dative donation through protonation on the thiolate or reduction on the thiolate

207 ylsilyl-substituted 1,2-dihydropyridines via protonation or alkylation followed by desilylation.

208 0.15 M HClO4 and 0.15 M Mg(ClO4)2 due to the protonation or complexation with the Lewis acid of the p

209 -base polymers acquire surface charge due to protonation or dissociation of surface active functional

210 Na(+)/K(+) selectivities may arise from the protonation or ionization of key residues.

211 gh post-transcriptional modification, direct protonation, or coordination with Mg(2+), accumulation o

212 as a key catalytic species and the role that protonation plays in the enantioselective process outlin

213 Once all vacancies are filled, the protonation proceeds interstitially, which slows down th

214 Inspired by our success in using the beta-protonation process to generate enals from ynals with go

215 he nature of the acceptor, and to affect the protonation profile of those intermediates.

216 tially lost over monovalent cations upon A.C protonation, providing experimental indication of the pr

217 ot in 9 nm NDs, i.e., an acceleration of the protonation rate at the surface of cytochrome c oxidase

218 The protonation rate of the fluorophores was approximately 1

219 r under acidic conditions, a remarkably slow protonation reaction coupled with the conversion of the

220 l-Crafts conjugate addition/enantioselective protonation reaction in water, which represents the firs

221 ormation on the free-energy landscape of the protonation reaction, showing that the variability among

222 chanism of H2 formation by the metal-hydride protonation reaction.

223 e cyclization via diphosphate ionization and protonation, respectively, and protein structures of bot

224 being the main determinant for the preferred protonation site.

225 , which may reflect differences in potential protonation sites at the active site among nitrogenase s

226 ty, implying the involvement of at least two protonation sites.

227 factor belt sulfurs S3A or S5A are potential protonation sites.

228 cs, stability and folding, hydrogen bonding, protonation, solvation, dynamics, and interactions with

229 methods concurred in indicating that low-pH protonation stabilizes a soluble conformation where a he

230 We showed that the protonation state and therefore the polarity of the drug

231 er charged or neutral, point to the Glu(290) protonation state as a main determinant in the structura

232 predicted to undergo a significant change in protonation state between pH 7 and 6.

233 by a dual pH-chemical stimulus involving the protonation state change of adamantane carboxylate at pH

234 f CTX-M beta-lactamase, directly visualizing protonation state changes along the enzymatic pathway: a

235 ggered by electrostatic effects arising from protonation state changes of surface residues far from t

236 The changes of the protonation state from a neutral molecule to a dication

237 ion level of the cavity are regulated by the protonation state of a propionate group of heme a3 and,

238 ation predictions, we observe changes in the protonation state of aspartic acid during folding that h

239 The protonation state of aspartic acid is coupled to protein

240 release correlates with the conformation and protonation state of conserved His378, which resides bet

241 lesser degree, the redox state of heme a and protonation state of Glu286.

242 We report on the protonation state of Helicobacter pylori catalase compou

243 Of particular interest is the protonation state of residue D198, which possesses a pKa

244 e complexes with O2 , which dependent on the protonation state of the initial Mn(II) dimer selectivel

245 the hydrogen-bonded network, change with the protonation state of the K-channel residue K362.

246 g the hydrogen-bonded network depends on the protonation state of the K-channel residue K362.

247 a a mechanism that was very sensitive to the protonation state of the NO moiety.

248 ydrogen bond network directly influences the protonation state of the pyridine nitrogen of PLP, which

249 volume ( approximately 50%) by changing the protonation state of the system.

250 e drug release kinetics were governed by the protonation state of vincristine and doxorubicin and wer

251 We also calculated the effect of the Arg52 protonation state on the LBHB in 3D nuclear equilibrium

252 The histidine protonation state responds to the cluster oxidation stat

253 the N-terminal segment passes easily at high protonation state through the anthrax channel (and the v

254 ds on the selectivity filter's (1) histidine protonation state, (2) solvent exposure, (3) oligomeric

255 of the two proton-conducting channels to be protonation state-dependent.

256 h modified nucleotides, in any tautomeric or protonation state.

257 ular mechanism responsible for the change in protonation state: the conformation-dependent binding of

258 pact of the K-channel on the D-channel to be protonation-state dependent.

259 e drug is likely to switch between different protonation states along its permeation pathway.

260 nance spectroscopy has advanced the way that protonation states are measured, allowing researchers to

261 An examination of protonation states enabled by neutron crystallography an

262 putational models, allow a detailed model of protonation states for ionizable groups on the cofactor,

263 guish the influence of different chromophore protonation states in experimental results.

264 ional water chains that are sensitive to the protonation states of buried residues at structurally co

265 us transamination is dictated in part by the protonation states of ionizable groups on PLP and the re

266 termediate with 16 different combinations of protonation states of key residues in the D- and K-chann

267 ransition, with 16 different combinations of protonation states of key residues in the D- and K-chann

268 perturbation approaches to identify probable protonation states of Na(+)- and K(+)-coordinating resid

269 small structural arrangements and changes in protonation states of the coordinating residues.

270 a heme peroxidase; the structure allows the protonation states of the ferryl heme to be directly obs

271 initial event is strongly influenced by the protonation states of the permeating amino acids.

272 s/composition (different combinations of His protonation states or different metal-ligating ligands).

273 aromatic hydrocarbons, in various charge and protonation states, are key compounds relevant to combus

274 increasing interest in the identification of protonation states, protein/water interactions and prote

275 ntical structures, assignment of appropriate protonation states, solvation in explicit solvent, and r

276 sed-state, non-conducting C1C2 structure and protonation states.

277 w pKa values emphasizes the relevance of the protonation step in the ring-opening reactions of 1,3-be

278 hexyl carbenium ion, is directly formed in a protonation step when cyclohexene is the coreactant.

279 though the reaction rate is dictated by the protonation step.

280 odels, namely the C-C bond formation and the protonation steps.

281 with a mechanism for catalysis in which both protonations take place at the nickel center.

282 To identify protonation targets we mutated all extracellular glutama

283 Upon protonation, the macrocycles exhibited bathochromically

284 ant effect of TMSCl in controlling the final protonation-the event that establishes the stereochemist

285 Leveraging a unique "Umpolung"-mediated beta-protonation, this process has evolved from a test bed fo

286 cation, we use C-H carboxylation followed by protonation to convert 2-furoic acid into furan-2,5-dica

287 lectron reduction of the nickel(II) complex, protonation to generate [HNi(DHMPE)2](+), and further pr

288 sible intermediates of the cyanide reductive protonation to generate CH4 and NH3 .

289 on to generate [HNi(DHMPE)2](+), and further protonation to initiate hydrogen bond formation.

290 ddition of a nickel hydride and nonselective protonation to release the substrate.

291 crucial role of the lipid bilayer in linking protonation to stabilization of an active state-like con

292 olate-based ligand is shown to convert, upon protonation, to the corresponding mu-1,1-hydroperoxo dic

293 This protonation-transition plus the existence of an enzymati

294 Whereas [H1](+) does not evolve H2 upon protonation, treatment of [H1](0) with acids gives H2.

295 d {FeNO}(8) complexes, 2 does not undergo NO protonation under strictly anaerobic conditions.

296 mechanism of the decarboxylative asymmetric protonation was conducted.

297 Unusually fast His37 protonation was observed (2.0 x 10(10) M(-1) s(-1)), imp

298 In solution, exclusive O-protonation was observed by multinuclear NMR spectroscop

299 .8, respectively, and define the sequence of protonations which lead to insertion.

300 tion in both proteins hence hinges on flavin protonation, which is common to both the cysteinyl adduc