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1 s, and none of the surface-bound O atoms are protonated.
2 t pH 5.0 and 8.3, and the cofactor is doubly protonated.
3 gen, which covalently binds the coenzyme, is protonated.
4 ated, whereas plastoquinone B is reduced and protonated.
5 100-200 ns before the proton-loading site is protonated.
9 situation was observed for a multiply folded protonated 8 + 8 macrocycle which binds six sulfate anio
11 molog, but by proton return from the earlier protonated acceptor, preventing vectorial proton translo
21 electrophile is activated by the catalyst's protonated amine and that the nucleophile binds to the t
22 L(-) and Cu2L2(2-)) directly interacted with protonated amine sites via electrostatic attraction, and
24 e competition between hydration of a primary protonated amine vs that of a neutral carboxylic acid an
26 on of the corresponding amine carbamates and protonated amines that were identified by the (13)C NMR
27 cleavage of H2, Mo hydride complexes bearing protonated amines, [CpMo(H)(CO)(P2N2H)](+), were charact
28 ovide valuable insight into the hydration of protonated amino acids and establish rigorous benchmarks
32 lso be used to ionize analytes, which formed protonated analyte ions (M + H)(+) in positive ion mode
36 t Asp-299 (homolog to Asp-212 in BR) becomes protonated and Asp-169 (homolog to Asp-85 in BR) undergo
37 Under acidic conditions, when His(12) is protonated and charged, the GWALP23-H12 helix exhibits a
38 Raman spectroscopy discriminates between the protonated and deprotonated forms of the carboxylic acid
40 ality of proton flux as His37 is dynamically protonated and deprotonated in the conduction cycle.
42 H sensor that, at acidic conditions, becomes protonated and forms an electrostatic pair with Asp(76)
43 g finding is that the central carbon becomes protonated and has to move out of the cavity as a methyl
44 r histidines with two of the four histidines protonated and if other titratable amino acid residues i
45 Phase transfer occurs by dynamic assembly of protonated and neutral amides with [AuCl4 ](-) ions thro
46 organization of granal membrane fragments in protonated and partly deprotonated state has been mapped
49 vestigated, and Raman bands belonging to the protonated and unprotonated forms of the isoquinoline ri
50 r, under acidic conditions E623 is partially protonated and works synergistically with intracellular
51 -based chromophore switches between neutral (protonated) and charged (deprotonated) states depending
52 rality, juxtaposes its N3 with the O5' to be protonated, and helps create the in-line trajectory requ
53 s), model precursor species such as multiply protonated angiotensin I and ubiquitin dissociated acros
56 en bonds and crystal water positions for the protonated Arg52 residue in free MD simulations and pred
58 lecules such as tetrahydrofuran and pyridine protonate at the heteroatom and consequently undergo onl
59 M triflic acid/dichloroethane, anthracene is protonated at C9, and the resulting 9-anthracenium ion i
60 actor changes its protonation from quadruply protonated at pH 6.3 to triply protonated at pH 7.3 to d
61 rom quadruply protonated at pH 6.3 to triply protonated at pH 7.3 to doubly protonated at pH 8.3.
66 ne H/D exchange, whereas ethylbenzene, which protonates at a ring position of the aromatic ring, unde
68 cyclohexadienes: In solution, it selectively protonates at the ortho position, and the resulting eta(
71 e ion-transfer voltammetric detection of the protonated beta-blocker propranolol was explored at arra
72 erimental studies using two UCST-type TRILs, protonated betaine bis(trifluoromethyl sulfonyl)imide ([
75 on radical, which is demonstrated to then be protonated by aspartic acid 396 to the neutral radical w
76 form a radical-anion intermediate, which is protonated by the medium to give a neutral radical; (b)
78 imensional structure of cryogenically cooled protonated C-terminally methyl esterified leucine enkeph
79 proton transfer from the exocyclic amine of protonated C75 to the nonbridging oxygen of the scissile
81 analysis also revealed the absence of other protonated carbon-containing components that would affec
85 yl radicals have been observed both in their protonated cation form and in their unprotonated neutral
86 pending on the counterion, O-protonated or N-protonated cations can be formed, in accord with theoret
88 through interaction or entrapment of the non-protonated, circular helical (blue) structure of phycocy
89 ecular nucleophilic attack from Nbeta to the protonated -CN group to form the cyclized intermediate 1
91 +)) prior to C-C bond breaking would produce protonated CO2, an energetically inaccessible species th
93 The strongest carborane acid, H(CHB11F11), protonates CO2 while traditional mixed Lewis/Bronsted su
96 differences in the relative distributions of protonated conformations depending on experimental condi
97 ders of magnitude higher than those of their protonated conjugates (i.e., neutral water and hypochlor
98 ion to remove the acyl group, generating the protonated creatinine [M + H](+) product ion at m/z 114
103 e (13)C NMR chemical shift of the parent and protonated derivatives of carbon(II) and carbon(0) bases
105 ydrocinnamic acid, or rearranges to generate protonated dihydrocinnamic acid and an alkene by a nonsp
108 is substituted with an electron withdrawing protonated dimethylamino group at the para position, hyd
109 r, the intensity of m/z 154 corresponding to protonated dopamine was monitored before and after elect
111 e of the salt bridge between the USB and the protonated E113 residue, and (iii) change in orientation
115 a bifunctional base that directly forms an N-protonated enamine species from an oxazolidinone interme
116 t CI, CH2OO, is detectable as an adduct with protonated ethers, preferably with protonated tetrahydro
122 Superoxide radicals (O2( *-)) and their protonated form (hydroperoxyl radicals, HO2( *)) were de
124 a local anesthetic, is found to adopt in its protonated form at least two populations of distinct str
125 1/2 [TFA] the substrates exist in the doubly protonated form HR2N(+)(CH2)nN(+)R2H, and no reaction wi
126 helical C2-symmetric structure and that its protonated form is the thermodynamic product of the Frie
135 ated that hydroxide, hypochlorite, and their protonated forms could react with HANs via nucleophilic
138 carbon atom of carbenes in their parent and protonated forms will experience more downfield shift, w
143 NMR, we show that as [H(+)] is increased to protonate Gluex and enrich the outward-facing state, a r
145 on content regarding the glycan structure of protonated glycoconjugates is hindered by the inability
146 1)H-based resonance assignments of the fully protonated heptahelical membrane protein proteorhodopsin
150 mechanism involves proton transfer from the protonated His365 to the N3' nitrogen of the lesion, whi
151 ich positioning of the catalytically active, protonated His87 through electrostatic interactions with
152 s [(TPB)Fe identical withN-NH2](+), a doubly protonated hydrazido(2-) complex featuring an Fe-to-N tr
154 iently hydrated when His413 was fixed in its protonated imidazolium state, but its calculated pKa is
155 the periplasmic half-channel is more easily protonated in a manner that halts ATPase-driven rotation
156 gested that the s-triazine ring nitrogen was protonated in the enzyme s-triazine hydrolase (TrzN) whe
158 nerated in amorphous water ice at 3 K, it is protonated instantaneously to give the benzhydryl cation
159 crosecond-long trajectories of E1.H(+)771, a protonated intermediate of the pump populated during SER
160 desorb but also increases the probability of protonated intermediates; the latter effect probably ens
162 transitions for metaldehyde (177 --> 149 for protonated ion) and atrazine (221 --> 179) were found to
163 filter where two of the four histidines are protonated is more proton-selective than tetrameric filt
164 d E286 is likely facilitated for states with protonated K362 and unprotonated E286, which would in pr
170 eric and electronic parameters of the parent protonated ligands; it is described by the mutual contri
171 eutral carboxylic acid were investigated for protonated m-aminobenzoic acid (MABAH(+)) with up to 15
175 order to search for the molecular ion or the protonated molecule and study the fragmentation behavior
177 oligo(triazole amide)s were best ionized as protonated molecules and were observed to adopt a single
178 Drift time values of low charged multiply protonated molecules were found to be similar for the tw
180 with increasing charge state of all multiply protonated molecules, and narrow ion mobility peak width
181 ic topology: low intensity of highly charged protonated molecules, even with the supercharging agent,
182 consist of different features including (de)protonated molecules, fragments, adducts, and isotopes t
183 was within 6% for 95% of all CCS values for protonated molecules, resulting in a median relative err
185 Addition of trifluoroacetic acid gave a C-protonated monocation, and at higher acid concentrations
189 nd closely associated LH(+) counter-cations (protonated n-octylamine or tri-n-octylphosphine (TOP) to
190 srupting the peptide backbone structure, the protonated N-terminus serves to stabilize the beta-hairp
192 increases the rate of isomerization from exo-protonated Ni(0) isomers to the catalytically active end
194 ven at -78 degrees C, in the HF/MF5 systems, protonated nitramine MF6(-) salts were isolated for the
195 is equidistant from Asp-301 and Glu-216 with protonated nitrogen H-bonded to a water molecule in the
196 zed hydrogen bonds with Glu-216, whereas the protonated nitrogen of quinidine is equidistant from Asp
197 t the same time, unexpected specifics of the protonated NMe2/-N horizontal line systems consist of a
198 without a significant difference between the protonated (nonionic) or deprotonated (anionic) states.
200 iates are neither edge-protonated nor corner-protonated (normally) but possess "closed" structures me
201 ational changes to raise the apparent pKa of protonated nucleobases to values above physiological pH.
202 Diglyceride DG(18:1/20:0)-sodium adduct and protonated octadecanamide ions were found to have greatl
203 of levoglucosan and cis-pinonic acid, while protonated oleic acid and 5alpha-cholestane molecules re
204 ures shows that the distal histidine becomes protonated on formation of the ferryl intermediate, whic
205 d angles in our structure suggest that N1 is protonated on the adenines of every other rAMP-rAMP heli
206 state acts as an Na+ trap and that the fully protonated one poses an energetic barrier that blocks th
207 t entity and the nitrophenol (present in the protonated open form, b(+)) or nitrophenolate (present i
210 solid state, depending on the counterion, O-protonated or N-protonated cations can be formed, in acc
211 osecond, MD simulations of the system having protonated or unprotonated cytosines, mimicking the pH 5
212 the fluorescence intensity upon either fully protonating, or deprotonating, the fibrils at pH = 0 or
213 The interaction prevented conversion into protonated, partially unfolded (green) phycocyanin speci
214 es of the (D)P and (L)P diastereomers in the protonated peptide [YAPAA+H](+), where only intramolecul
215 here regarding simulations of collisions of protonated peptide ions peptide-H(+) with organic surfac
216 ton-based systems: 18-crown-6 polyether with protonated peptides and base-pairing energies of nucleob
218 The reactor facilitates the intersection of protonated peptides with a second population of chromoge
220 alternative via formation of a higher-energy protonated phenyl tautomer (2H(+)) prior to C-C bond bre
223 re reported on the fragmentation of multiply protonated polypeptide ions produced in electrospray ion
225 absorption spectroscopy, we characterize its protonated precursor TyrOH(*+), and we show this species
226 -6 ether derivatives can detect and identify protonated primary amines in methanol and in water, and
227 ols causes the radical cations to decay, and protonated products and the corresponding phenoxyl radic
228 and latter states, mediated by the partially protonated protein, protons, and Na+ can be exchanged ac
230 asurements between spin-labels on multimeric protonated proteins using double electron-electron reson
232 propylamino)cyclopropenimine-substituted bis-protonated proton sponge as a bifunctional phase-transfe
233 son, the report that a molecule as simple as protonated pyridine (PyH(+)) could catalyze the formatio
236 that the lowest energy pathway from the ring-protonated reactive intermediate involves early proton t
240 ative charges in the proteoglycan matrix are protonated, resulting in chemically induced stress relax
241 a residue adjacent to Tyr(179), Asp(178), is protonated revealed a conformational change in Pho84 fro
242 oscopy (TROSY) and highly deuterated, methyl-protonated samples to study the 230 kDa dodecameric HslV
243 UV compared to approximately 40 kcal/mol for protonated Schiff base (PSB) chromophore in rhodopsin.
245 ween residues E90, E123, D253, N258, and the protonated Schiff base (SBH), as well as nearby residues
246 hat specifically isomerizes the retinylidene protonated Schiff base both thermally and photochemicall
248 p in the catalytic cycle is facilitated by a protonated Schiff base form of the holoenzyme in which t
249 by mimicking the intermediate Opsin-derived, protonated Schiff base in the visual cycle with simple p
251 chromophore in opsin visual pigments is the protonated Schiff base of 11-cis-retinaldehyde (11cRAL).
252 e is an equilibrium between the phenolic and protonated Schiff base tautomeric forms of this intermed
253 elices H5 and H6, while deprotonation of its protonated Schiff's base triggers the rearrangement of t
254 l over the photoisomerization of the retinal protonated Schiff-base in bacteriorhodopsin, isorhodopsi
255 to the Qi-site to facilitate binding of half-protonated semiquinone - a reaction intermediate that is
257 ween the peptide forms present today and the protonated signalling peptides likely to be dominating i
258 rrogate for cyclic terpenes, are followed as protonated species (CI)H(+) using protonated amines as r
259 e resolved in another, and epimers merged as protonated species were resolved upon metalation, effect
260 er reduction of the pH results in the doubly protonated species with a high electron-deficiency and L
261 situ by in-source fragmentation of precursor protonated species, such as benzyl alcohol, do not under
264 h the reversible chemical transition between protonated state (NH(+) ) and deprotonated state (N).
269 s of the [2]rotaxane in its unprotonated and protonated states were carried out to locate the positio
270 ration acts as a nucleophile and attacks the protonated substrate via an outer-sphere mechanism.
271 ased on a gas-phase ion/molecule reaction of protonated sulfone analytes with trimethyl borate (TMB)
272 gen, allowing radical coupling of the formed protonated superoxide and anionic flavin semiquinone at
273 the article, which excludes anionic and most protonated systems, methods associated with measuring th
274 f 1 (RCO2H2(+)), with its higher energy ring-protonated tautomer allowing the requisite C-C bond clea
278 contrast, the weak phosphoric acid does not protonate the hydrazone, and only a hydrogen-bonded comp
280 sm, the acidic proton of the phosphinic acid protonates the hydroxyl group, enhancing the leaving gro
282 he structure reveals His707 as the acid that protonates the THF leaving group through a water molecul
284 lays a key role in the reaction mechanism by protonating the polyoxometalate thereby enabling the act
287 ther side of the membrane; (ii) LacY must be protonated to bind galactoside (the pK for binding is ap
288 f dCO2, the amine groups in the chitosan get protonated to convert neutral chitosan to a positively c
290 that a nitrogen-fixing Fe-N2 catalyst can be protonated to form a neutral Fe(NNH2) hydrazido(2-) inte
292 ance of such resonance effects in the triply protonated triamino/monopyridyl hyperporphyrin (A3PyPH3(
293 II), and two other analogues are shown to be protonated under turnover conditions to produce the corr
295 vergent proton distribution in either highly protonated unimer or neutral micelle states along the ma
296 hexahydro-2H-pyrimido[1,2-a]pyrimidine) were protonated using [HNEt3][BPh4] to afford [I-H][BPh4] (1a
297 ee environment either as neutral water or as protonated water clusters, depending on the composition
299 e failure of traditional mixed superacids to protonate weak bases such as CO2 can be traced to a comp
300 e coordinated arene of TpW(NO)(PMe3)(DMB) is protonated with either D or L dibenzoyl tartaric acid (D
301 15)N NMR spectra show that the His-27 tetrad protonates with higher pKa values than His-19, indicatin
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