ライフサイエンスコーパス: ionizable

1 e of Co(2+)) and requires the presence of an ionizable 2'-OH at the cleavage site, and note that this

2 ribozyme self-cleavage reaction, and that an ionizable 2'-proton at cleavage site is required for thi

3 s to show how Coulombic interactions between ionizable 2,3-diaminopropionic acid (Dap) side chains ca

4 ent triplex stability uniquely observed with ionizable 4-amino substituent on proline enables one to

5 e (ACQ) substructure and a separate positive ionizable amine component.

6 be generated through a single hydrophobic-to-ionizable amino acid replacement that generates a partia

7 ow that electrostatic interactions of P with ionizable amino acid residues are strongly screened, and

8 Due to ionizable amino acid residues present on the solvent-exp

9 The siroheme is surrounded by several ionizable amino acid residues that facilitate the bindin

10 proposed that involve distinct and conserved ionizable amino acid residues, one a glutamate, and the

11 als of mean force (PMF) between all possible ionizable amino acid side chain pairs in various protona

12 The role of ionizable amino acid side chains in the bovine rhodopsin

13 acid residues 18-25 of Ost4p were mutated to ionizable amino acids and defects were observed in the i

14 ere investigated by introducing mutations of ionizable amino acids at selected sites.

15 Effects of ionizable amino acids on spectroscopic properties and el

16 h we replaced Arg-197 with citrulline, a non-ionizable analog.

17 of new expressions for the retention time of ionizable analytes.

18 bout local and nonlocal interactions between ionizable and nonionizable residues in the growing famil

19 The observed correlations between ionizable and nonionizable residues in this segment sugg

20 gram revealed the importance of two negative ionizable and one positive charge feature for both aryl-

21 elopment of TK models is required for polar, ionizable, and easily biotransformed compounds.

22 th the liposomal delivery of poorly soluble, ionizable anticancer agents.

23 -terminated and uncharged surface, (i.e., no ionizable carbon-oxygen functional groups), raise intere

24 inated diamond surfaces contain few, if any, ionizable carbon-oxygen functionalities (e.g., carboxyli

25 s used to measure shifts in the pK(a) of the ionizable carboxyl group when the amides of the compound

26 To investigate the effect of adding ionizable carboxylic acid groups, such as those found in

27 ue virus serotypes (DEN-80E) formulated with ionizable cationic lipid nanoparticles (LNPs).

28 hobic regions, H-bond acceptor sites, and an ionizable (cationic) feature as key determinants for lig

29 d for the extract's fractionation due to the ionizable character of its constituents.

30 ng approach for characterizing the uptake of ionizable chemicals from water and sediments into aquati

31 port better characterization of the risks of ionizable chemicals in the aquatic environment.

32 olled through variation of the nature of the ionizable co-monomer used in polymer film construction;

33 DDTC abstracts the Pt atom to generate ionizable complexes that can be imaged by MALDI MSI.

34 and high-throughput extraction of ionic and ionizable compounds from biofluids.

35 kes it suitable for quantitative analysis of ionizable compounds from small-volume samples.

36 Separation of ions or ionizable compounds with pure water as eluent and detect

37 urfaces, and very strong hydrogen bonding of ionizable compounds with surface functional groups.

38 rovide the isolation and preconcentration of ionizable compounds within the vesicle interior.

39 ophobicity of the buffer on the retention of ionizable compounds.

40 rin (LMWH) as a model for highly soluble and ionizable drugs and a 3 x 3 full factorial design to pre

41 ndem approach can likely be extended to more ionizable drugs and may eventually be utilized in view o

42 e preferred method for optimizing loading of ionizable drugs in liposomes as measured by drug-to-lipi

43 valuable information about the speciation of ionizable drugs, with phenytoin as a model example.

44 Water-soluble and readily ionizable (electrospray ionization) substances, 185 in t

45 hin-films can be directly immersed in highly ionizable environments and used as flow-through heating

46 ating element can prevent CNT degradation in ionizable environments such as high-salinity brines.

47 lternate enzyme pathways that utilize either ionizable enzyme residues (self-rescue) and/or exogenous

48 Pulses and cereals showed high level of ionizable Fe.

49 of three hydrophobic features and a positive ionizable feature.

50 dels indicate the importance of two negative ionizable features, one hydrophobic feature, and one hal

51 However, ionizable flanking residues destabilized the TM configur

52 252C, D275C, and D279C enzymes depend on the ionizable form of the same group as in wild-type enzyme

53 date, potent FXR agonists share a negatively ionizable function that might compromise their pharmacok

54 Tetracycline contains ionizable functional groups that manifest several specie

55 chains extend along the surface and the two ionizable functionalities (a phosphate and an amine) sit

56 with full shielding of the analytes from the ionizable functionalities and excellent chromatographic

57 te-co-ethylene dimethacrylate) layer with no ionizable functionalities and required 2 min.

58 This channel, which contains ionizable functionalities, enabled the first dimension s

59 experimental findings in saccharides bearing ionizable functionality.

60 s269Asn mutant or wild-type MSOX contains an ionizable group (pK(a) = 8.0) that is required for conve

61 0.5) obtained for tPA revealed an additional ionizable group (pKa, 6.0-6.2) affecting the reaction.

62 on of Lys-443 identified this residue as the ionizable group at pKa approximately 8.1 apparent in the

63 The multilayer structure and ionizable group composition was finely tuned by changing

64 No other ionizable group in the active site is likely responsible

65 , strongly pH-dependent and indicate that an ionizable group in the E(ox).L-proline complex (pK(a) =

66 The ionizable group in the E(ox).L-proline complex is requir

67 at position 212 lowers the pK of the nearby ionizable group in the enzyme-substrate complex.

68 The mutation does not eliminate the ionizable group in the ES complex (pKa = 8.9) but does c

69 arby base, we conclude that L-proline is the ionizable group in the ES complex and that amino acids a

70 y virtue of beta-branching, and also bear an ionizable group in the side chain.

71 zation or global unfolding when the internal ionizable group is charged.

72 teady-state kinetic studies indicate that an ionizable group on the enzyme with a pK of 6.4 must be u

73 The ability to make a single ionizable group photobasic or photoacidic through ligand

74 MCCE samples ionizable group protonation states, heme redox states, a

75 e that Glu-19 comes in close contact with an ionizable group that has a pK(a) of approximately 6.7 wh

76 We also demonstrated that PikDH2 has a key ionizable group with a pK(a) of 7.0 and can be irreversi

77 on of ACL with [gamma-(33)P]-ATP revealed an ionizable group with a pK(a) value of ~7.5, which must b

78 se kinetic data are consistent with a single ionizable group with a pKa near 9.5 promoting the Lys 73

79 tified at least one catalytically important, ionizable group with an apparent pKa of 7.5, which corr

80 his class of sigma(1) ligands are a positive ionizable group, a H-bond acceptor group, two hydrophobi

81 ith a neutral residue does not eliminate the ionizable group, although the observed pK(a) is 1 or 2 p

82 structures, where at least one metal ion, an ionizable group, and the conformation of the phosphate b

83 e pH versus k(cat)(DHS) profile revealed two ionizable groups (pK(a1) = 7.9 +/- 0.1, and pK(a2) = 9.3

84 mation of the alkaline conformer, with other ionizable groups acting as secondary modulators.

85 n be applied to systems of a large number of ionizable groups and the computational cost scales linea

86 s with implicit sites produced pKas of all 9 ionizable groups and the results agree qualitatively wit

87 Many functionally essential ionizable groups are buried in the hydrophobic interior

88 lectric constants reported by these internal ionizable groups are high because they reflect conformat

89 ed under conditions of pH where the internal ionizable groups are in the neutral state.

90 surface, which is where the majority of the ionizable groups are positioned in proteins.

91 ble groups are shifted; many of the internal ionizable groups are probably neutral at physiological p

92 Internal ionizable groups are quite rare in water-soluble globula

93 hat the pK(a) values of most of the internal ionizable groups are shifted; many of the internal ioniz

94 The pKa values and identities of these ionizable groups are unknown.

95 The pK(a) values of internal ionizable groups are usually very different from the nor

96 om accumulation of mutations that introduced ionizable groups at internal positions, followed by evol

97 These results show that several ionizable groups besides the Schiff base imine are affec

98 Paradoxically, ionizable groups buried in the hydrophobic interior of p

99 g "standard" model-compound pK(a) values for ionizable groups by those measured by Kuhlman et al. in

100 the flavin couples suggests the presence of ionizable groups coupled to the flavin redox/protonation

101 enzymes and other proteins that use internal ionizable groups for functional purposes could have evol

102 Except for Arg-66, these internal ionizable groups have unusual pKa values and are neutral

103 ization states were predicted for all of the ionizable groups in alanine racemase.

104 lectrostatics method are not useful to treat ionizable groups in cases where pK(a) values are governe

105 Estimation of the pKa values of all the ionizable groups in GLP-1 suggest it is the protonation/

106 rness the free energy of folding to position ionizable groups in highly specific environments that st

107 h the hypothesis that catalysis requires two ionizable groups in opposite protonation states.

108 mists are interested in the pK values of the ionizable groups in proteins and how these pK values dep

109 Internal ionizable groups in proteins are relatively rare but the

110 iew what has been learned about pK values of ionizable groups in proteins from experimental studies a

111 The ionizable groups in proteins with the lowest pKs are the

112 ndicating the involvement of two unspecified ionizable groups in proteolysis.

113 forming the salt bridge and the rest of the ionizable groups in this protein.

114 ry different from the normal pK(a) values of ionizable groups in water.

115 and have been shown to be important whenever ionizable groups interact with hydrophobic environments.

116 agnetic probes based on the incorporation of ionizable groups into the structure of persistent triary

117 gen TAM probes based on the incorporation of ionizable groups into the TAM structure.

118 gen TAM probes based on the incorporation of ionizable groups into the TAM structure.

119 ble to those of naturally occurring internal ionizable groups involved in catalysis and biological H(

120 CaM, indicating that CaM does not influence ionizable groups involved in catalysis or substrate bind

121 ture of the rate-limiting catalytic steps or ionizable groups involved in cytochrome c(3+) reduction.

122 alysis and the existence of three additional ionizable groups involved in substrate binding.

123 icate that protonation of ligand and protein ionizable groups is coupled to the complex formation bet

124 We find that the energetic cost of burying ionizable groups is rather modest.

125 y decreasing the pH (protonation of multiple ionizable groups is required) or by addition of volume e

126 Ionizable groups may thus have pK(a) values similar to m

127 the ability of proteins to tolerate internal ionizable groups might be a property common to many prot

128 ictated in part by the protonation states of ionizable groups on PLP and the reacting substrates and

129 nated surfaces as surrogates for charged and ionizable groups on silica-mineralizing organic matrices

130 w a detailed model of protonation states for ionizable groups on the cofactor, substrates, and nearby

131 e explored several strategies of introducing ionizable groups on the lipopeptide, as well as the syst

132 are the chief perturbant of the pK values of ionizable groups on the protein surface, which is where

133 is124 are embedded in a network of polar and ionizable groups on the surface of staphylococcal nuclea

134 oatings with a high surface concentration of ionizable groups onto the surface of the paper fibers in

135 in-label was found to be unaffected by other ionizable groups present in side chains of unstructured

136 , and His329 to residues that do not contain ionizable groups produced proteins for which V(max) was

137 The ionizable groups responding to changes in pH have recent

138 of the marked shifts in the pK(a) values of ionizable groups that can occur in an enzyme active site

139 al structural adaptations are not needed for ionizable groups to exist stably in the hydrophobic inte

140 CD), a beta-cyclodextrin derivative carrying ionizable groups to render propofol amenable to iontopho

141 ergy landscape of proteins by using internal ionizable groups to stabilize partially unfolded states.

142 o examine the unusual properties of internal ionizable groups we measured the pK(a) of glutamic acid

143 se and of 10 variants with internal polar or ionizable groups were performed to investigate systemati

144 stent with the pK(a) of the highest of three ionizable groups which modulate formation of the histidi

145 Consequently, the ionizable groups will have similar environments in the t

146 ed, depending on the ionization state of two ionizable groups with apparent pK values of 6.2 and 8.3.

147 how that nucleotidyl transfer depends on two ionizable groups with pK(a) values of 7.0 or 8.2 and 10.

148 ce of the fast phase kinetic data shows that ionizable groups with pKa values near 6.8 and 9 modulate

149 PS inhibition both consisted of two negative ionizable groups, a positive charge feature and an endoc

150 approximately 6.6 and has unmasked two other ionizable groups, besides the ligand replacing Met 80, t

151 an-field approach to quantify the density of ionizable groups, GAG concentration, and cross-linking d

152 For mouse epidermal growth factor of 9 ionizable groups, our VMMS simulations with implicit sit

153 work affects the electrostatic properties of ionizable groups, the tautomeric state and the pK(a) val

154 ve an inherently high tolerance for internal ionizable groups.

155 of iso-1-cytochrome c are triggered by three ionizable groups.

156 et of 22 proteins each of which contains <30 ionizable groups.

157 n the electrostatic interactions between the ionizable groups.

158 onal cost scales linearly with the number of ionizable groups.

159 ntain spatially conserved networks of buried ionizable groups.

160 79-heme alkaline conformer involves only two ionizable groups.

161 om temperature in bilayers of molecules with ionizable groups.

162 ine conformational transition requires three ionizable groups.

163 loyed to fine tune the hydrophobicity of the ionizable hydrophobic block, which led to a desired tran

164 bond acceptor, hydrogen bond donor, positive ionizable, hydrophobic) of these femtomolar-acting compo

165 These findings also suggest that ionizable intramembrane residues may serve regulatory ro

166 Percent ionizable iron and bioavailability was found maximum wit

167 The ionizable LA alkylamino heads interact primarily by van

168 The alkylamino head of ionizable LA molecules was docked closer to the selectiv

169 e high-pH form occurs by deprotonation of an ionizable ligand bound to Mn3+, implicated to be a water

170 A new series of alkenyl amino alcohol (AAA) ionizable lipid nanoparticles (LNPs) capable of deliveri

171 Special (lipid) delivery: The role of the ionizable lipid pK(a) in the in vivo delivery of siRNA b

172 Complexes formed between the new ionizable lipids and mRNA, DNA, or siRNA were characteri

173 ll-established sets of both nonionizable and ionizable low molecular weight probe solutes to demonstr

174 ceptable analyte recovery in the presence of ionizable matrix components.

175 the regiochemistry of benzannulation and the ionizable moieties afford (iv) tunable deep-red to NIR e

176 Tetracycline possesses multiple ionizable moieties and forms complexes with Ca(2+).

177 highly hydrophobic microenvironments of the ionizable moieties in crystal structures.

178 The ionizable moieties of the buried Glu-Lys pair are 2.6 A

179 anced ionization by transformation of a less-ionizable molecule to an easily ionizable one.

180 d with an "interior" layer consisting of the ionizable monomer, 2-acrylamido-2-methyl-1-propanesulfon

181 ive holographic sensors were fabricated from ionizable monomers incorporated into thin, polymeric, hy

182 monitoring H+ (pH) have been fabricated from ionizable monomers incorporated into thin, polymeric, hy

183 made of sequence-controlled hydrophobic and ionizable monomers on the inner surface of solid-state n

184 rporated into "smart" hydrogel films bearing ionizable monomers, were used to monitor the pH change r

185 marked differences in the removal of polar, ionizable MPs at different operational pHs during activa

186 alitatively with the neutral fraction of the ionizable MPs.

187 tic structural optimization of uncharged but ionizable N-substituted 2-hydroxyiminoacetamido alkylami

188 The ionizable NH2 substituent at C4 in R/S configuration is

189 PR probe (IMTSL-PTE) containing a reversibly ionizable nitroxide tag attached to the lipids' polar he

190 ubstrates (e.g. colchicine or paclitaxel) or ionizable non-Pgp substrates (e.g. cisplatin or carbopla

191 se they either are nonfluorescent or lack an ionizable OH group.

192 on of a less-ionizable molecule to an easily ionizable one.

193 s that show pH dependence cluster around the ionizable ones.

194 Derivatization makes small, poorly ionizable or retained analytes amenable to reversed phas

195 ter knowledge of biotransformation rates for ionizable organic compounds (IOCs) in fish is required t

196 Numerous ionizable organic micropollutants contain positively cha

197 also capable of the detection of most major ionizable organic molecules in typical aquatic mixtures,

198 conclude that pH-dependent removal of polar, ionizable organic MPs in activated sludge systems is les

199 The stepwise synthesis of ionizable p-tert-butylcalix[5]arenes 1a.H and 1b.H, feat

200 The concentrations of 14 ionizable PFAS ( summation operatorPFAS) in freshly depo

201 umnavigation expedition, and analyzed for 14 ionizable PFASs, including perfluorooctanoate (PFOA), pe

202 iated mechanism of MDR was not found for non-ionizable Pgp substrates (e.g. colchicine or paclitaxel)

203 arge-transfer interaction between FAD and an ionizable (pK(a) = 7.3) active-site residue.

204 dine, fluoxetine, and gemfibrozil, and other ionizable PPCPs, to confirm the utility of both models.

205 Neither ionizable propionate side chain proved to be essential t

206 tudies provide insight into the roles of the ionizable propionate side chains in substrate discrimina

207 ction between the aqueous sodium ion and the ionizable proton of the organic acid.

208 yrins, which are neutral macrocycles without ionizable protons, also showed interesting coordination

209 between two ionizable residues, between one ionizable residue and one N or Q.

210 In this lesson, an ionizable residue in a [4Fe-4S]-protein that causes a pH

211 cat)/K(m) indicated the presence of a single ionizable residue of catalytic importance (pK(a) = 6.9)

212 ts, although specific contacts through gamma-ionizable residue side chains are not essential for esta

213 eic acid complexes there exists at least one ionizable residue that changes its charge state upon lig

214 is abolished upon protonation of an unknown ionizable residue that exhibits a pK(a) of 7.3.

215 d species and apparent pK(a) values for each ionizable residue, we show that C3d-CR2(SCR1-2) recognit

216 ent as a direct measure of the mass of total ionizable residue.

217 he pH midpoints (pH(m)) of the amides in the ionizable residues (Asp or Glu) and, consequently, the s

218 sample side-chain protonation states of five ionizable residues (Asp, Glu, His, Tyr, Lys) on-the-fly

219 Our results show that the ionizable residues (E18, R48, and R28) surrounding C106

220 r for sequences flanked by different charged ionizable residues (Lys, His, Asp).

221 thways for proton transfer between conserved ionizable residues along the center of the membrane doma

222 oops upon lipid interaction and buried polar/ionizable residues and buried interhelical H-bonds locat

223 ococcal nuclease (SNase) mutants with buried ionizable residues and probed their dynamics in differen

224 few backbone amides adjacent to the internal ionizable residues are broadened.

225 )Gly are identical, suggesting that the same ionizable residues are involved in both reactions and th

226 Pairs of aromatic residues and flanking ionizable residues are involved in nucleoside binding.

227 These ionizable residues are likely the structural basis for t

228 Presumably for this reason, ionizable residues are usually excluded from the hydroph

229 The effective pK(a)s of ionizable residues around the BNC are evaluated in Rhodo

230 irus family reveals evolutionarily conserved ionizable residues at all regions along the chain and su

231 We examined the effect of ionizable residues at positions flanking the hydrophobic

232 This suggests that buried ionizable residues can trigger conformational fluctuatio

233 Alanine substitution of these ionizable residues decouples protonation and hampers the

234 As the pKa of ionizable residues depends on their environment, it repr

235 region, where approximately one out of five ionizable residues experiences substantial pK change reg

236 ade with this method concerning the roles of ionizable residues for allosteric communication can then

237 Although membrane proteins often rely on ionizable residues for structure and function, their ion

238 elix interface among the TM domains involved ionizable residues from all three chains, the TM arginin

239 t remains open up to pH 9.0 by replacing key ionizable residues from the N and C termini of KcsA with

240 By varying pH, shifts with ionizable residues fully charged or uncharged were measu

241 nges upon ligand binding for a total of 5899 ionizable residues in 20 protein-protein, 20 protein-sma

242 Of the nine essential buried ionizable residues in BR, six are conserved in HR.

243 inding is appreciable: on average, 6% of all ionizable residues in protein-small molecule complexes,

244 neutralize a surface charge were made at 22 ionizable residues in staphylococcal nuclease.

245 mine required for catalysis and the roles of ionizable residues in the active site in amine oxidation

246 There are a number of conserved hydrophilic, ionizable residues in the active site, all of which must

247 us propose that the overall configuration of ionizable residues in the channel that may orient water

248 exogenous buffer and assuming no additional ionizable residues in the PT pathway, indicates the like

249 se results relate previous work in which the ionizable residues Lys (at L178) and Asp (at M201) have

250 ironment was assessed by the introduction of ionizable residues near the bacteriochlorophyll dimer in

251 s separation arises from the distribution of ionizable residues of MscS and suggests a specific, yet

252 otein design in elucidating the influence of ionizable residues on a particular redox system, an impo

253 ansport intermediary from the active site to ionizable residues on the rim of the active site, reveal

254 approach that monitors the pKa variations of ionizable residues over the course of molecular dynamics

255 Ionizable residues play essential roles in proteins, mod

256 Ionizable residues play key roles in the molecular mecha

257 The tuning of the pK(a) of ionizable residues plays a critical role in various prot

258 ever, is known to contain a larger number of ionizable residues than the OmpF channel.

259 ctions through the protonation states of the ionizable residues that can change upon binding.

260 ally relevant pH range of 4-8, the number of ionizable residues that experience substantial pK change

261 We also find that the number of ionizable residues that undergo a change in protonation

262 Reproducing the pK(a) of these buried ionizable residues using continuum electrostatic calcula

263 reaction field of bulk water, inner helices, ionizable residues).

264 Of all 36,192 ionizable residues, 93.5% were predicted to be ionized.

265 acts, for example, residue pairs between two ionizable residues, between one ionizable residue and on

266 philic active site of the B-isozyme with two ionizable residues, C280 and D281, replacing the neutral

267 three BR acids, D85 in a central cluster of ionizable residues, D96, nearer the intracellular, and E

268 e element is coupled to proton uptake by two ionizable residues, H196 and E203, located at the protei

269 rization of the chromophore is controlled by ionizable residues, primarily the Schiff base and Asp97.

270 lying the VMMS method to a heptapeptide of 3 ionizable residues, we calculated the pKas of those resi

271 l microenvironment on the proton affinity of ionizable residues, we have engineered individual lysine

272 ic interactions involving the helix-flanking ionizable residues.

273 cooperativities that exist between polar and ionizable residues.

274 DFT predictions of J(CH) and J(CC) values in ionizable saccharides.

275 (1) containing a dansyl group in the proton-ionizable side arm has been employed in selective sensin

276 Examples are provided where ionizable side chain position (protein G), Asn orientati

277 table conformations) and mutations involving ionizable side chains (which could have affected proton-

278 t or slightly higher for proteins containing ionizable side chains deeply buried in the core and expe

279 Other amino acids with ionizable side chains had variable effects.

280 These ionizable side chains titrate with pK(a) values of 5.7,

281 0.6 unit for proteins containing few buried ionizable side chains to 1.0 unit or slightly higher for

282 utagenic screen of all amino acids harboring ionizable side chains within this domain to investigate

283 to estimate the protonation state of native ionizable side chains, that anion-selective-type sequenc

284 two synthesized hexamers, having neutral and ionizable side chains.

285 loop, but contains a large cluster of acidic ionizable side chains.

286 nuclease variants I92E and I92K, in which an ionizable side-chain is placed in the hydrophobic core o

287 ible, replacing buried, non-hydrogen bonded, ionizable side-chains with non-polar side-chains is an e

288 The calculation of pK(a) values for ionizable sites in proteins has been traditionally based

289 ependent segment with the highest density of ionizable sites in the disordered ensembles of fragments

290 to the detection of particulates composed of ionizable species (organic or inorganic) in gaseous envi

291 nerally involves a pyrolysis step to produce ionizable species.

292 ting that complex formation stabilizes their ionizable states, whereas the histidines are predicted t

293 The non-ionizable sterol, corticosterone, also inhibited hOCT2 a

294 xperimental values in saccharides bearing an ionizable substituent.

295 rporate into phospholipid bilayers, with the ionizable sulfonamide exposed to the aqueous interface a

296 the monolithic material with hydrophobic and ionizable surface chemistries is easily achieved by copo

297 It has been suggested that ionizable switches involving the carboxylate side chains

298 e vicinity of the retinal Schiff base is not ionizable, the yield of 9-cis species at low pH shows a

299 pped-flow methods to probe the nature of the ionizable "trigger" group for this conformational change

300 In the present study, a new series of ionizable vectors, derived from naturally occurring amin