ライフサイエンスコーパス: protonation

1 Lewis acid ferryl adducts (rather than full protonation).

2 ificant CSPs for all nuclei near the site of protonation.

3 a stabilization of the protein by histidine protonation.

4 state and (v) catalyst deactivation through protonation.

5 st versus deactivation of a substrate by its protonation.

6 but effective method to efficiently achieve protonation.

7 rate the corresponding carboxylic acid after protonation.

8 lorammonium ion, a product of monochloramine protonation.

9 llowing stoichiometric activation by in situ protonation.

10 orm but showed significant diatropicity upon protonation.

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

12 lladium-catalyzed decarboxylative asymmetric protonation.

13 when its acidic residues were neutralized by protonation.

14 eutral semiquinone, both of which involve N5 protonation.

15 hexadienyl anion, and finally regioselective protonation.

16 2 selectivity filter, as a function of GLUex protonation.

17 in decarboxylative asymmetric allylation and protonation.

18 and the catalytic cycle is terminated by C-2 protonation.

19 came the thermodynamically preferred site of protonation.

20 Protonation afforded cations with slightly enhanced diat

21 Protonation also controls the water networks adjacent to

22 Protonation and active site dynamics induced by the firs

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

24 H via a set of chemical reactions describing protonation and deprotonation of macromolecules, as well

25 cquire reversible antibiofilm effect via the protonation and deprotonation of TAs.

26 ld relax the frustration, allowing histidine protonation and facilitating conformational conversion o

27 In particular, the detection of protonation and H-bonding changes in a time-resolved man

28 providing a conceptual link between receptor protonation and KDEL peptide binding.

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

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

31 nes were successfully taken through a second protonation and nucleophilic addition with a similar sco

32 ngement of benzene to benzvalene followed by protonation and nucleophilic addition.

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

34 As the distribution of protonation and redox states in a system is associated w

35 emoval of the second histidine converted the protonation and tautomeric equilibria of H19 to be simil

36 od descriptor for both the stability against protonation and the magnitude of the HT barrier.

37 ents by showing that only the combination of protonation and xylose binding, and not glucose, sets up

38 enzoate formulation (30 mg/mL nicotine, high protonation) and combustible cigarettes (C(max), p = 0.7

39 hitherto unexploited shifted selectivity in protonation, and enabled simple and straightforward acce

40 2 to examine the effect of alkali-insertion, protonation, and hydration to derive the thermodynamic c

41 data show that the best model for probing N-protonation aptitude in the series of nonplanar amides a

42 Changes in molecular protonation are measured using zeta potential and modele

43 opposing hypotheses on the site of substrate protonation are plausible.

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

45 This process may be dependent upon protonation arising from intracellular acidosis.

46 d from pyridine, are demonstrated to undergo protonation at C6 followed by regioselective amination a

47 allic into antiferromagnetic insulating with protonation at elevated temperatures.

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

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

50 ng in the N(2) S(2) (4-) pocket, replaced by protonation at the amido nitrogens, generating H(2) ema(

51 from 1(K) is triggered by peripheral gamma-C protonation at the nacnac subunits, which DFT calculatio

52 Protonation at the Si(II) atom with [H(OEt(2))(2)][Al{OC

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

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

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

56 -H bond activation, migratory insertion, and protonation by acetic acid was suggested and supported b

57 o lower the LUMO energy of quinoline through protonation by Hantzsch ester as a Bronsted acid and sta

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

59 We found that transient protonation changes of glutamic acid residue E141 and, m

60 In addition, protonation conditions determine the open probability of

61 metric titrations were used to determine the protonation constants of the new pyridinophanes.

62 e distance/similarity matrices and estimated protonation constants.

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

64 termediacy of an organic peroxide that, upon protonation, converts back into the starting dication wh

65 To probe protonation-coupled permeation in atomic detail, we here

66 Decarboxylative asymmetric protonation (DAP) is a mild and efficient synthetic tool

67 ough-space and through-bond contributions of protonation-dependent chemical shift perturbations (CSPs

68 oncentrations of either cation can shift the protonation-dependent transition by up to several pH uni

69 phatic bis-oximes holding promise for use as protonation-dependent, conformationally adaptive, "smart

70 The heat of protonation, deprotonation, and proton transfer reaction

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

72 Specifically, we explore the protonation/deprotonation of 4-mercaptobenzoic acid as a

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

74 ese new capabilities in two studies: (A) the protonation/deprotonation process for a pH-sensitive imi

75 The coordination/decoordination and protonation/deprotonation processes appeared reversible,

76 ocesses which include conformational change, protonation/deprotonation, and binding equilibria are ro

77 By protonation/deprotonation, we modulate the electronic co

78 The subsequent intramolecular enolate protonation determines the unexpected high stereoselecti

79 ed ion-pairs and water molecules control the protonation dynamics in the membrane domain of complex I

80 Protonated nicotine (18 mg/mL, medium protonation) e-liquid yielded higher nicotine bioavailab

81 lood plasma, where we argue that its overall protonation efficiency is 10 to 20x greater than that of

82 making use of a diastereoselective nitronate protonation employing alpha,beta-disubstituted nitroolef

83 Kinetic studies point to the second protonation event as being rate-determining.

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

85 osed mechanism includes the enol double-bond protonation, followed by intramolecular cyclization invo

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

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

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

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

90 2-KPCC's reactive intermediate from unwanted protonation; however, without its input as a catalytic a

91 to Fe(NNH) as the key first intermediate of protonation in synthetic systems.

92 To explore the role of histidine protonation in the binding process, the pH-dependence of

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

94 blishing the importance of oxo H-bonding (or protonation) in heme complexes and enzyme active sites.

95 units toward basic pH and induce substantial protonation-independent transmembrane insertion of pHLIP

96 e protonated reversibly, causing significant protonation-induced color shifts toward the near-infrare

97 data show that neither the substrate TPP nor protonation induces large-scale conformational changes.

98 teric coupling between substrate binding and protonation is a key step to initiate transport.

99 idate that the reaction free energy of HCOO* protonation is decreased on the V(O) -rich N-SnO(2) NS,

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

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

102 ions at neutral pH (all residues at standard protonation), low pH (acidic residues and His protonated

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

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

105 n relay mechanism, indicating that substrate protonation must occur outside of the central histidine

106 e *CO intermediate, and then this favors the protonation of *CO to *CHO, a key intermediate for metha

107 impeded by difficulties in N(2) adsorption, protonation of *NN, and inhibition of competing hydrogen

108 phenylpropanoic acid (4) as a chemical fuel, protonation of 1 entailed a cascade translocation of fir

109 m(II) compound Re(eta(5)-Cp)(BDI) (2), while protonation of 1 yields the rhenium(III) hydride complex

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

111 We show that protonation of a conserved aspartate triggers conformati

112 xycoelenterazine decarboxylation reaction by protonation of a dioxetanone anion, thereby triggering t

113 short hydrogen bond is reinforced following protonation of a nearby histidine, providing a conceptua

114 a carbocation-pai system resulting from the protonation of a pai-stacked para-quinone methide (p-QM)

115 between OF and IF conformation is driven by protonation of a previously unidentified intracellular g

116 Herein we show that low-temperature protonation of a terminally bound Fe-N(2)(-) species, su

117 hemical model involving a facially selective protonation of a water-coordinated enol intermediate.

118 antiodetermining step of the reaction is the protonation of a zwitterionic intermediate by the cataly

119 and transition between hydrogen bonding and protonation of alkynes connected, on one side, to variou

120 Protonation of all basic sites of the hybrid material ne

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

122 steps in the synthetic route include kinetic protonation of an enolate to epimerize the C7 stereocent

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

124 dioxoglycolate, or its NMO complex, through protonation of an oxo ligand to give more electrophilic

125 sults exemplify the complex coupling between protonation of anionic residues and lipid-selective targ

126 e to support a long-standing hypothesis that protonation of Asp favors the DFG-out state and explain

127 low-temperature stable [AsF(6) ](-) salts by protonation of azidomethane and azidotrifluoromethane in

128 Protonation of Ci1 leads to a rigid hydrogen-bonding net

129 a local hydration shell that facilitates the protonation of CO(2) reduction intermediates.

130 ransfer pathway, with H(2) released from the protonation of Co(II) -H species.

131 CpxRA directly senses acidification through protonation of CpxA periplasmic histidine residues, and

132 )-sapphyrins were altered significantly upon protonation of dithia-bis(calix)-sapphyrins.

133 ss of either the conformational state or the protonation of E115, presumably reflecting the fact that

134 The first mechanism involves protonation of excited-state benzene and subsequent rear

135 duction of Y(373)(*) by extrinsic agents and protonation of FAD(*-) to form the long-lived, red-light

136 -determining step in oxygen reduction is the protonation of Fe(III)(TPP)(O(2)(*-)) by pTsOH, which pr

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

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

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

140 -type protein, suggesting that redox-coupled protonation of H99 is required for high redox potentials

141 Environmental acidification induces protonation of His144 and reorganization of hydrogen bon

142 The simulations revealed that protonation of His172 alters a conserved interaction net

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

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

145 8 as a trigger for metal release rather than protonation of Lys206 or Lys296.

146 ding to enhanced chemisorption and activated protonation of N(2) , and suppressed hydrogen evolution.

147 intermediate cationic species derived by the protonation of nitroalkenes in TfOH.

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

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

150 Protonation of oxygen in the side chain of the Me(3)SiO

151 roven to be useful reagents in the reductive protonation of small-molecule substrates, including N(2)

152 duced the cyclization into pyrrolidines, the protonation of the alkyne led preferentially to tetrahyd

153 , environments that are too acidic result in protonation of the aniline intermediate and results in i

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

155 n of net charge by SOD1 is attributed to the protonation of the bridging histidine upon copper reduct

156 Protonation of the C-terminus promotes helicity and pore

157 ivated toward N(2) binding, with concomitant protonation of the carbyne ligand.

158 ction with H(2) ultimately leads to complete protonation of the carbyne moiety, mechanistic investiga

159 pound, which can also be accessed via direct protonation of the corresponding diborene.

160 an alternative reactant ion (RI) and prevent protonation of the fragments.

161 that found in aggressive tumors, drives the protonation of the glutamic acids in ATRAM, leading to t

162 Diverse protonation of the heterocyclic amines and oxime groups

163 membrane electrostatically via pH-dependent protonation of the histidines.

164 bifurcation based on the regioselectivity of protonation of the hydroperoxide, as suggested in the en

165 lectivity is governed by competition between protonation of the hydroperoxo intermediate, Fe(III)(TMP

166 to boron with a concomitant, stereoretentive protonation of the least sterically hindered C-B bond.

167 or the MeNHC-capped and HNHC-capped QDs upon protonation of the NHC.

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

169 Protonation of the parent bridging amide produced ammoni

170 Protonation of the pyridinyl nitrogen to form a pyridini

171 ier for the water-as-base mechanism, as does protonation of the pyrophosphate leaving group, which is

172 n donor, it may also enhance the reaction by protonation of the radical anion generated in the preced

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

174 tion is not observed, which is attributed to protonation of the supporting ligand and degradation of

175 ollowed by the elimination of Me(3)SiOH) and protonation of the thiophene ring in 2-chloro(or bromo)-

176 sufficiently weak acids to avoid deleterious protonation of the transition metal complex.

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

178 nic bases known, assessing the energetics of protonation of these species is of fundamental importanc

179 It identifies protonation of Tyr188 as a trigger for metal release rat

180 ble for providing a source of protons in the protonation of vinyl-manganese(I) carbonyl intermediates

181 a reaction mechanism involving the selective protonation of vinyldiazo compounds and the subsequent r

182 Intracellular gating involves lysine protonation on inner helices and the formation of a prot

183 and evaluate the impact of including dynamic protonation on P(m).

184 Extracellular gating involves arginine protonation on the channel surface and correlated confor

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

186 gating effect of solvation that allows diene protonation only when the incipient ion pair is neither

187 We envision that electric-field controlled protonation opens up a pathway to explore novel electron

188 0.15 M HClO4 and 0.15 M Mg(ClO4)2 due to the protonation or complexation with the Lewis acid of the p

189 on of product stability and the pH-dependent protonation or deprotonation behavior are possible.

190 rodes, the surface charge resulting from the protonation or deprotonation of insulating mineral oxide

191 ence enables access to different products by protonation or further functionalization, thus increasin

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

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

194 ntriguingly, while these amides also favor N-protonation, our data show that the best model for probi

195 o aqueous acidic electrolytes: 1) higher (de)protonation potential for a lower desolvation energy of

196 en fluorescence of which is switched ON upon protonation, preventing photoinduced electron transfer (

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

198 The subsequent protonation process with alcohols was investigated by th

199 idine unit, the coordination with Zn(II) and protonation processes were studied, revealing efficient

200 dertake the rigorous characterization of the protonation products of Cp*(2)Co using pulse electron pa

201 radical anion and dianion species and their protonation products with acids.

202 d afforded four products: the allylation and protonation products, as expected, along with a cyclopro

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

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

205 ules needed for a maximal enhancement of the protonation rate.

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

207 n contrast to previous reports, we find that protonation reactions cannot generally be classified as

208 electrophiles in a manner similar to that of protonation reactions to more organometallic-inspired re

209 Reductive protonation reactions with these compounds converge at s

210 tunities to incorporate protons through ILG, protonation remains a big challenge for many others.

211 Our findings illustrate a novel function of protonation resulting from electron transfer.

212 Trajectories initiated from a protonation saddle point on the potential of mean force

213 We also demonstrate that exo-protonation selectivity can be favored by using a bulkie

214 ful level of the allylation product over the protonation side product proved extremely challenging, w

215 that 2-PyH(-)*'s instability results from a protonation side reaction producing adsorbed dihydropyri

216 Unequivocal proof of the protonation site was obtained by the crystal structures

217 34M/A150E, wherein the multidrug-binding and protonation sites were revamped, separately bound to thr

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

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

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

221 eared to correspond to a change in the Lys73 protonation state at low pH.

222 ration of the thermodynamics associated with protonation state changes for the TM ion (un)binding to

223 that switch from buried to exposed and alter protonation state in doing so.

224 lk solution, thus restoring the precatalytic protonation state in Exo-lambda.

225 r results demonstrate how dynamic changes in protonation state may play a critical role in the permea

226 In this mutant, the protonation state of a glutamate residue (E120) in the p

227 t the polarity change of the WT reflects the protonation state of Asp(22) We expected that the substi

228 ditional protonatable site and perturbed the protonation state of Asp(22), with the latter now exhibi

229 The protonation state of embedded charged residues in transm

230 onset of functions can be controlled by the protonation state of embedded residues.

231 and transfer into the protein depends on the protonation state of glutamic acid E163 (Ci1), one of th

232 th pH and acid composition as well as on the protonation state of HEPES.

233 ntaining peptide, we were able to follow the protonation state of histidine throughout a pH titration

234 f this C2-D probe is a clear reporter of the protonation state of histidine.

235 n redox chemistry, presumably by setting the protonation state of the bridging oxygens and thereby pe

236 The protonation state of the iron(IV) oxo (or ferryl) form o

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

238 hat phosphite binding to HtxB depends on the protonation state of the ligand, suggesting that pH may

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

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

241 By altering the protonation state of the titratable group in the tripept

242 ng mutations in Glu8 support the role of the protonation state of this residue in fibril disassembly,

243 derivative to access an electrically neutral protonation state that is not generally available to arg

244 d to act as a pH biosensor as changes in its protonation state with intracellular pH regulate binding

245 ectrode surface with a high p K(a)(1) (first protonation state) and with controllable, very low surfa

246 ods, it stands out by its sensitivity to the protonation state, H-bonding, and the conformation of di

247 for these processes in dependence of the Ci1 protonation state.

248 phile, general acid or base depending on its protonation state.

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

250 The protonation states and hydrogen-bond network in the envi

251 gen positions and experimentally determining protonation states at near-physiological temperature.

252 as DFG-Asp, alphaC-Glu, and HRD-Asp, change protonation states dependent on the DFG, alphaC, and act

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

254 ation of hydrogen atom positions and, hence, protonation states in the protease.

255 bstrate functional groups in influencing the protonation states of catalytic residues and subsequentl

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

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

258 However, the protonation states of the catalytic residues in this com

259 In the neutron structure of the complex, the protonation states of the electron/proton donor (ascorba

260 ical question in the field has been what the protonation states of the ionizable residues in the subs

261 troscopy on NOV2 and CAO1 indicated that the protonation states of the iron ligands are unchanged wit

262 We analyzed the protonation states of the OEC protein environment using

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

264 ing structures, conformational sampling, and protonation states on the hydrophobicity of antibodies.

265 On the other hand, sampling of protonation states only leads to good results when combi

266 g chromatographic separation because species protonation states remain unaffected, hydroxyl-for-bisul

267 The neutron structure also identified the protonation states, and thus electrical charges, of all

268 Bzim-CP undergoes different protonation states, forms subnanometer nanotubes, and pr

269 observed differences in activation kinetics, protonation states, water channels, and active-site acce

270 teases but differ in their configuration and protonation states.

271 tional studies of kinases which assume fixed protonation states.

272 ichiometry (H:G(2)) was observed for all CPA protonation states.

273 enabling the use of experimentally assigned protonation states.

274 ven NACs by three hydroquinones of different protonation states.

275 dies of kinases, which assume fixed solution protonation states.

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

277 through the color tuning mechanisms of both protonation states.

278 To provide further insight into the protonation status of APX-II, we examined the intermedia

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

280 ater can facilitate hydrogen transfer in the protonation step, leading to the liberation of protonate

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

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

283 termine simultaneously the concentration and protonation strength of nonaqueous acid solutions, in wh

284 Computational modeling (DFT) predicts that protonation takes place at the side-chain C=N atom that

285 Upon protonation, the macrocycles exhibited bathochromically

286 Protonation then leads to relatively unsolvated ion pair

287 e also protects the reduced semiquinone from protonation, thus transforming the role of quinones from

288 Protonation to form phosphine carboxylic acid (PH(2) COO

289 N coupled cis-hyponitrite intermediate whose protonation triggers the release of N(2)O.

290 rates entering the lipophilic vestibules and protonation via the bulk water.

291 mechanism of the decarboxylative asymmetric protonation was conducted.

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

293 The transition between H-bonding and protonation was observed with the alkyne substituted wit

294 sure/ring strain which can be relieved after protonation were identified as key tuning parameters.

295 reflected cob(I)alamin addition followed by protonation, whereas smaller Lambda(C/Cl) values for PCE

296 of succinate is facilitated by its transient protonation, which occurs upon muscle cell acidification

297 es of 3 corroborate its carbene-like nature: protonation with [LutH]I results in the formation of a T

298 intermediate boronate complex which, upon N-protonation with acetic acid, undergoes 1,2-migration wi

299 rgyl xylosides with s-BuLi/TMEDA followed by protonation with t-butanol at -115 degrees C provided a

300 ectron density on 2-PyH(-)* could limit this protonation, with the trade-off that it may become less