ライフサイエンスコーパス: bond distance

1 center causes variation in the transannular bond distance.

2 radius for Cd(2+) and same cadmium-thiolate bond distance.

3 etene carbons is correlated to carbon-carbon bond distance.

4 l systematic changes in a single zinc-sulfur bond distance.

5 h a relatively short iodine-sulfur secondary bond distance.

6 ne graphene layer shift by the carbon-carbon bond distance.

7 Li-bound with the shortest yet recorded Li-C bond distance.

8 ge X-ray absorption spectroscopy, and Au-oxo bond distances.

9 o feature the shortest known Th-Se and Th-Te bond distances.

10 ll as significant lengthening of trans axial bond distances.

11 curring on the optimization of the metallo-N bond distances.

12 de) rings that correlate with the respective bond distances.

13 vibrational modes separated by large through-bond distances.

14 e and triangle species on the basis of X-ray bond distances.

15 tion of the NO orientation on the equatorial bond distances.

16 ger-pore sepiolite with corresponding longer bond distances.

17 cluster of LipA and its substrate are within bonding distance.

18 r hydrogen transfer, as evidenced by precise bonding distances.

19 ad, suggestive of a distribution of hydrogen-bonding distances.

20 the oxyanion hole as shown by long hydrogen-bonding distances.

21 unusually short Fe identical withC-OSiMe(3) bond distance (1.671(2) A) and a substantially elongated

22 The measured Fe-N(imide) bond distance (1.768(2) A) is the longest reported for F

23 ing interactions, one with a water molecule (bond distances 2.83 A for O...Br and 3.10 A for O...I) a

24 entical withFe triple bond, and the shortest bond distance (2.1446(8) A) ever reported between Nb and

25 ide chain of Glu209 (EL2) is within hydrogen-bonding distance (2.8 A) of the ribose O3', and Arg287 (

26 yl groups of the molecular container itself (bond distances 3.33 A for O...Br and 3.49 A for O...I).

27 ving the amide group of residue 114 out of H-bonding distance, allowing repositioning of the FMN pros

28 The energies of H-bonds inferred from H-bonding distances, alone, could be significantly in erro

29 Based on bond distance analysis, the migrating and distorted iodi

30 tor of 0.185, with rms deviations from ideal bond distance and angles of 0.009 angstrom and 1.78 degr

31 y reported equation, which relates C(1)-H(1) bond distance and atomic charges to (1)J[C(1)-H(1)] magn

32 isomers show interesting and understandable bond distance and stability variations, as well as speci

33 ng correlation between the gas-phase NHC-CO2 bond distance and the Gibbs free energy barrier for deca

34 rticularly the shortening of the central B-C bond distance and the reducing of the corresponding XCB

35 A summary of important bond distances and angles for these new plutonium thioph

36 nges in coordination number, local geometry (bond distances and angles), and bonding.

37 ed information on their geometry in terms of bond distances and angles.

38 extremely stretched single bonds in terms of bond distances and binding energies.

39 correctly reproduce all of the experimental bond distances and bond angles.

40 he two forms of ferric enterobactin provided bond distances and disorder factors in the metal coordin

41 e, and product are analyzed in terms of both bond distances and electrostatic energies.

42 t thermal behaviors of the metal-metal (M-M) bond distances and interatomic order-of Pt nanoclusters

43 The X-ray crystal structure shows longer C-O bond distances and more acute C-O-C bond angles than any

44 ed by X-ray refinement with no restraints on bond distances and planarity, the nicotinamide rings in

45 to establish a correlation between the Cu-Cu bond distances and the luminescence properties.

46 highest atomization energy, the shortest M-N bond distance, and the largest M-N charge separation as

47 and the tropane skeleton ranged from 1 to 4 bond distances, and conformational flexibility of the li

48 the triple fits correlate with the hydrogen-bonding distances, and the trends are in excellent agree

49 The influence of bond distances, angles and atom charges on (31)P NMR che

50 emical shift can be reproduced by a hydrogen bond distance approximately 0.13 A shorter (but within e

51 The experimental Co1-Co2 bond distances are 2.6550(6) and 2.4610(6) A for 2 and 2

52 hows that the structure and metal-donor atom bond distances are indistinguishable within experimental

53 Although the effects upon the donor C-C bond distances are not large enough to be measurable by

54 cal, subtle differences in some metal-ligand bond distances are observed in 1 and 3 due to difference

55 The values of nu(C-O) and the Fe-C and C-O bond distances are strongly correlated and provide a str

56 Cl-O or O-O bond, and the intervening proton bond distances are substantially longer than for the cov

57 all three structures, however, most hydrogen bond distances are underestimated at both levels of theo

58 1 complex revealed the same 2.26 A mean Cu-S bond distance as in the Cu,ZnAmt1 complex.

59 e redox potentials were correlated with Co-C bond distances as determined by DFT (B3LYP/ LANL2DZ) cal

60 nded as a bidentate to carboxylic sites (U-C bond distance at approximately 2.88 A), rather than phen

61 ..Ribose3'-OH...His51.OH(2) with the average bonding distances being 2.0, 2.0, 2.1, and 2.0 A and (fo

62 olume while maintaining a favorable hydrogen bond distance between the para oxygen substituent and th

63 3 A closer to the Fe center and the hydrogen bond distance between the residue 44 peptide nitrogen an

64 catalytic efficiency, decrease the hydrogen bonding distance between the Asp-His pair to form a shor

65 the Asp103 residue, decreasing the hydrogen-bonding distance between the Asp103 backbone and the nit

66 The average hydrogen bonding distance between Tyr14-OH and O3 becomes shorter

67 MARPE should also be sensitive to bond distance, bonding type, and magnetic order, and be

68 lacks the long Cu-S(Met) and short Cu-S(Cys) bond distances characteristic of blue copper.

69 1 has long U-C(C(5)Me(5)) bond distances comparable to (C(5)Me(5))(3)U, and it too

70 imately 1 nm Pt nanoparticles showed a Pt-Pt bond distance contraction of approximately 1.4%.

71 and CO at room temperature relaxed the Pt-Pt bond distance contraction to a value close to that of bu

72 Bond distances, core volumes, (57)Fe isomer shifts, and

73 efforts to use Badger's rule to estimate the bond distance corresponding to nu(Cu-O), a modified vers

74 ) of the phenolate increases, these hydrogen bond distances decrease, the associated nuclear magnetic

75 The Zn-S, Zn-Se, and Se-S bond distances determined from the zinc and selenium EXA

76 ond length and makes use of the experimental bond distance deviations between the molecular structure

77 However, this trend is broken once the Zr-X bond distance elongates further, as is the case for cata

78 proximately 135 degrees , and the short Fe-N bond distances (Fe-N(av) approximately equal to 1.70 A)

79 e chain transfer rate constants and the Zr-X bond distance for catalysts 1-3.

80 excellent fits of normalized frequencies to bond distances for >250 data points from theory and expe

81 the nicotinamide ribose C2'-OH and hydrogen bonding distances for proton transfer through the hydrog

82 , a conserved amino acid located in hydrogen-bonding distance from C-6 of the substrate in the active

83 catalytic Ser-195 that is no longer within H-bonding distance from His-57.

84 both Glu-217 and Lys-224 are within hydrogen-bonding distance from one another.

85 he attacking nucleophile, is beyond hydrogen bonding distance from the active-site lysine residue, Ly

86 culations including a lysine residue at an H-bonding distance from the CuICuIV edge ligand show that

87 whereas the C3 carbonyl group is at hydrogen bonding distance from the hydroxyl group of Tyr(487) and

88 residue, Lys129, but remains within hydrogen bonding distance from the proRp oxygen atom of the phosp

89 s of the two proteins positioned at hydrogen-bonding distances from each other.

90 the tetrafluorotyrosyl OH group at hydrogen bonding distances from the side chains of Asp(1132) and

91 namics by an aspartate residue at a hydrogen bond distance in 275-615 ps.

92 rst definitive measurement of the Mo(V)=/--S bond distance in an unambiguously characterized oxosulfi

93 The V-V bond distance in K(THF)(3)[V(2)(DPhF)(4)] is 1.9295(8) A

94 EXAFS results give a longer Cu-S(Cys) bond distance in nitrosocyanin (2.28 A) compared to plas

95 e bonding that results in the 1.239(3) A N-N bond distance in the (N=N)(2-) moiety.

96 The olefinic C-C bond distances in 2 and 3, 1.328(4) and 1.328(5) A, resp

97 The 1.396(7) and 1.402(7) A N-N bond distances in 2 and 3, respectively, are consistent

98 pi)-p(pi) repulsion considerations, the Pd-F bond distances in 3 and 4 are unprecedentedly short, bei

99 and the eta(2)-(C,O) binding mode, the Ir-Cl bond distances in complexes of trans-Cl(Ir)[P(i-Pr)(3)](

100 The Fe-P and Zn-P bond distances in FeZnUf.PO4 are determined to be 3.23 a

101 The presence of Sr-Si(Al) bond distances in Sr K-edge extended X-ray absorption fi

102 nteractions inducing shortening of the Cu-Cu bond distances in the [Cu4I4] cluster core and eventuall

103 odeling studies which indicated metal-ligand bond distances in the E39D variant and in an E35D--E39D-

104 and experiment for a variety of M-X and X-X bond distances in the range approximately 1.1-2.2 A (roo

105 acent CR2" systems, can be tied to increased bond distances in the rings upon progressive substitutio

106 whenever the two radical centers come within bonding distance in an appropriate orientation of orbita

107 eta(1)(S)-DBT)]BF(4) (3), show that the Ru-S bond distances increase in the order, 3 < 2 < 1.

108 y remains three coordinate, but the His48-Cu bond distance increases by 0.18 A.

109 ed ruthenium atoms, and the associated Ru-Ru bond distance increases in length.

110 ting state Fe(III) to Compound I, the His-Fe bond distance increases, the iron moves into the porphyr

111 The M-Cr bond distances increases across the period from M = Mn t

112 environment consisting of six identical Cu-F bond distances, indicating the lack of the expected Jahn

113 s octahedral sites with unusually short Fe-O bond distances, induced by edge-sharing with surrounding

114 For lambda comparable to typical ion-oxygen bond distances, investigations building on this multista

115 shorter pyrrole N-Fe bonds, and the Fe(IV)-O bond distance is 1.87 A, suggesting a single Fe(IV)-O bo

116 rize the metal oxidation state, metal-oxygen bond distance, metal-metal distance, and degree of disor

117 donation is substantiated by the intraligand bond distances (metrical oxidation state = -2.24(9)).

118 usters exhibit marked relaxations of the M-M bond distances, negative thermal expansion (NTE) with an

119 The Cu...Cu bond distance nonetheless undergoes an appreciable compr

120 and experimental systems with respect to O-O bond distance, O-O stretching frequency, and O-O and M-O

121 Based on the accurate bond distances obtained from time-of-flight neutron diff

122 toms preferentially share a gold atom with a bond distance of 0.194-0.196 nm and additionally bind to

123 o two other surface gold atoms with a larger bond distance of 0.203-0.213 nm, forming an Au-O-Au-O-Au

124 etween two [Me(2)NN]Ni fragments, with a N-O bond distance of 1.440(4) A in 1a that is significantly

125 sigma-bond to iridium with an elongated B-H bond distance of 1.45(5) A.

126 le electron, giving rise to an elongated C-C bond distance of 1.7 A; a similar lengthening of the C-C

127 ructure analysis shows a Ru horizontal lineO bond distance of 1.75 +/- 0.02 A, consistent with comput

128 Mn-Cr complex has an ultrashort metal-metal bond distance of 1.82 A, which is consistent with a quin

129 rk cobalt center in a 1:1 ratio with a Co-O2 bond distance of 1.973(6) A.

130 ic is six-coordinate, with an average Zn-O/N bond distance of 2.08 A.

131 equivalent [Mo(2)] units, both with a Mo-Mo bond distance of 2.149[1] A.

132 of the [Mo(2)] units has a lengthened Mo-Mo bond distance of 2.151[1] A, as expected for one-electro

133 The Si-Si bond distance of 2.2294 +/- 0.0011 (standard deviation)

134 of an incoming peptide, binds to Zn2 with a bond distance of 2.3 A.

135 nar C(ipso)SnSnC(ipso) skeleton with a Sn-Sn bond distance of 2.6675(4) A and a Sn-Sn-C angle of 125.

136 ound to three rhodium atoms with an observed bond distance of 2.73 A and to two boron atoms at 2.10 A

137 cid/base, His(158), which is within hydrogen bond distance of a carboxylate, Glu(170).

138 QA- and the peptide nitrogen with a hydrogen bond distance of about 2 A.

139 dium atom bound to four rhodium atoms with a bond distance of about 2.73 A and a single rhodium atom

140 Water 120 is also within hydrogen bond distance of an imidazole nitrogen of His-56 and the

141 y short, average 1.7 A, relative to a single bond distance of approximately 1.8 A and are coordinated

142 binds with the aldehyde carbonyl in hydrogen bond distance of Asn-11, while in the wild type this fun

143 shown to result in hot structures with a CC bond distance of over 1.7 A, which is 0.2 A away from an

144 nd the 2' hydroxyl of A76 is within hydrogen-bond distance of the 2' hydroxyl of A2451.

145 t position these side chains within hydrogen bond distance of the bound purine analogue, similar in p

146 peripheral amide substituent within hydrogen-bond distance of the iron first coordination sphere lead

147 groups do not appear to be correlated to the bond distance of the peptide bond or the peptide planari

148 (root mean squared errors for the predicted bond distances of 0.03 A).

149 eta-phosphate of ADP and a water molecule at bond distances of 2.1 and 2.3 A, respectively.

150 ion of the PPi nucleophiles gives C1'-O(PPi) bond distances of approximately 2.3 A.

151 Under supercritical conditions, the measured bond distances of Mn-OH2 and Mn-Br are 2.14 and 2.46 A,

152 ory-independent relationship between the C-O bond distances of the newly forming bonds and the isotop

153 The C-C bond distances of the thiophene rings of 1 and 2 and oth

154 The Fe-Ag bond distances of these metal-only Lewis pairs range fro

155 .6 and 2.2 +/- 0.3 low Z elements (C/N/O) at bond distances of ~1.92 and ~2.09 A, respectively.

156 icate that S128 and N187 are within hydrogen-bonding distance of 6PG in the E:6PG binary complex and

157 , Tyr(299) and Arg(307), are within hydrogen bonding distance of a carboxylate moiety of malonate.

158 at P2' in the inhibitor are within hydrogen-bonding distance of a carboxylate oxygen of Asp30 of the

159 n the 229 A structure and is within hydrogen bonding distance of Arg63 of the same subunit and Arg120

160 n indicated that Ser-1176 is within hydrogen bonding distance of Asp-1393 and the O4 atom of FAD and

161 resence of a buffer molecule within hydrogen bonding distance of Asp-34, implying a role for this res

162 oximately one water molecule within hydrogen-bonding distance of each charged group should be include

163 tor and substrate, it is not within hydrogen bonding distance of either ligand.

164 The phosphonate oxygens are within hydrogen bonding distance of four amino acid residues and two wat

165 oxyamide NH and carbonyl oxygen are within H-bonding distance of Glu71 and Asp168.

166 ctures have shown Y(D) to be within hydrogen-bonding distance of histidine 189 in the D2 polypeptide.

167 rate, all four thiolates of DMSOR are within bonding distance of Mo, but after extended exposure to N

168 sidue and water molecules are found within H-bonding distance of N5.

169 In addition, H186 is also within hydrogen-bonding distance of NADPH in the E:NADPH binary complex,

170 mologs or analogs in S17 are within hydrogen bonding distance of nucleotides in 16 S rRNA did not aff

171 17, the homolog of YS11, are within hydrogen bonding distance of nucleotides in 16 S rRNA.

172 y 75 degrees, bringing Lys-532 into hydrogen-bonding distance of one of the nonbridging phosphate oxy

173 e E:6PG binary complex it is within hydrogen-bonding distance of S128 and close to N187.

174 that arginine 181 (R181) is within hydrogen bonding distance of the 1-carboxylate of malate in the a

175 -state analogues show His257 within hydrogen bonding distance of the 5'-hydroxyl.

176 and O4' groups of the U are within hydrogen bonding distance of the amino group of the A.

177 t likely a water molecule is within hydrogen-bonding distance of the bound ligand, which favors proto

178 states the phosphate ion is within hydrogen-bonding distance of the cofactor pyridoxal 5'-phosphate

179 nd cleavage reaction, and is within hydrogen bonding distance of the conserved active site lysine (Ly

180 e its epsilon-ammonium group within hydrogen-bonding distance of the ether oxygen of bound chorismate

181 ngle water molecule is found within hydrogen bonding distance of the ferroxidase site that bridges th

182 tions suggest that Arg-94 is within hydrogen bonding distance of the gamma-carboxylate of glutaryl-Co

183 1270 and aspartate 1221 were within hydrogen bonding distance of the ganglioside.

184 he reaction mechanism; it is within hydrogen bonding distance of the hydroxyl group of serine and the

185 placing the Nepsilon2 atom of His447 out of bonding distance of the iron ( approximately 4.3 A).

186 carbonyl of His63(E7) and is within hydrogen-bonding distance of the N delta of His63(E7).

187 The Hoogsteen face was within hydrogen bonding distance of the N4 atoms of the cytosine opposit

188 e swings from a distant position to within H-bonding distance of the N5 atom upon CH(3)-H(4)folate bi

189 r Br- and is located close to but not within bonding distance of the nickel center.

190 active site serine moves to within hydrogen bonding distance of the phenolic oxygen of the PLP cofac

191 protein, these residues are within hydrogen-bonding distance of the Sgamma of the cysteine ligands t

192 e p-hydroxyl group of HMA is within hydrogen-bonding distance of the side chain hydroxyl of a serine

193 the electrophilic Lys-12 is within hydrogen-bonding distance of the substrate's ketone oxygen, the b

194 The hydroxyl group of S16 is within hydrogen-bonding distance of the sulfur of bound GSH and is, in p

195 d at the dimer interface and within hydrogen-bonding distance of the W184 side chain on the other mon

196 ew internal water molecules (one in hydrogen-bonding distance of Y65) are found, and in the case of F

197 asing Lewis basicity (shortening of the Co-N bond distances) of the axial ligand on the N3(-) site.

198 From changes in local bond distances (OH.O and O.O) with time, we elucidated t

199 MHz throughout the series, while the average bond distances only spanned 2.34-2.36 A.

200 ard-like behavior of the lattice parameters, bond distances, optical band gap energies, and sound vel

201 We investigated changes in the Pt-Pt bond distance, particle size, crystallinity, and coordin

202 brium structures, vibrational amplitudes and bond distances play a central role in phenomena such as

203 al elongated main chain nitrogen to hydrogen bond distance positioning the hydrogen atom towards the

204 A strong correlation between the hydrogen-bond distance, R(HO), and the hydrogen-bond angle, theta

205 The M-O(crown) bond distance ranges from 2.1 to 2.3 A, providing struct

206 ther but are separated by twice the hydrogen-bonding distance required for pairing.

207 8 dihedral angle restraints, and 62 hydrogen bond distance restraints.

208 ormation of hot ground-state structures with bond distances similar to those of the initial structure

209 degree of distortion is the metal-donor atom bond distance that induces nonideal bond angles due to t

210 l N(3-) anion results in (1) calculated Fe-N bond distances that are in very good agreement with the

211 /(2) ground states, X-ray data show two Co-P bond distances that are invariably shorter than a third

212 ve to the plane of the other atoms) and have bond distances that are somewhat different compared to t

213 similar UV-vis spectra and exhibit Ln-C(Cp') bond distances that are ~0.03 A longer than those in the

214 This leads to unusually long Fe-C(alkyl) bond distances that reflect an ionic Fe-C bond.

215 (linear Cl-M-M-Cl) with abnormally long M-Cl bond distances that, in turn, depend on the presence or

216 nce of the translocation pathway in hydrogen-bond distance to Ser172.

217 manifested as a strong response of the C-OR bond distance to the electron demand of the OR substitue

218 spectroscopy has the potential for analyzing bond distances to a precision of 0.02 A but is hampered

219 difference between the breaking and forming bond distances to the hydride ion, and a quasithermodyna

220 traints indicate that U23 is within hydrogen bonding distance to A27 consistent with the formation of

221 sitioned in the major groove within hydrogen bonding distance to A27.

222 ned water molecule, which is within hydrogen bonding distance to an essential lysine residue (Lys97).

223 4 out of 27) and are all outside of hydrogen bonding distance to any active site residue.

224 of distal histidine 64 lies within hydrogen bonding distance to both the oxygen atom directly bonded

225 Aspartate 294 is within hydrogen-bonding distance to K199 in the open and closed forms of

226 to Ser-44, which in turn is within hydrogen-bonding distance to Lys-47.

227 roups of the hexose only lie within hydrogen bonding distance to ordered water molecules.

228 e its main chain carbonyl is within hydrogen-bonding distance to pyrrole ring nitrogens of the bilive

229 124 and Tyr 149 are located within hydrogen bonding distance to the 4'- and 3'-hydroxyl groups of th

230 e formation, a His22 residue within hydrogen bonding distance to the 6-(p-hydroxy)-phenyl group of th

231 In both cases, a single oxygen is within bonding distance to the active-site zinc ion, mimicking

232 The sulfonyl oxygens are in hydrogen-bonding distance to the backbone NHs of L81 and A82.

233 3 of DNA polymerase beta are within hydrogen bonding distance to the bases of the incoming deoxynucle

234 f these residues are located within hydrogen bonding distance to the C-5 oxygen of galactose.

235 170 were shown to be located within hydrogen bonding distance to the C-5 oxygen of the substrate, whi

236 Tyr-466 is at hydrogen bonding distance to the C3 oxygen atom of the substrate

237 Of these, His-244 is within hydrogen bonding distance to the carbonyl oxygen of the carbonyl-

238 ctive site residue, Y89, are within hydrogen bonding distance to the carboxylate of the substrate.

239 s placed this water molecule within hydrogen-bonding distance to the carboxylate side chain of glutam

240 that both H154 and H189 are within hydrogen-bonding distance to the cysteine thiol.

241 These residues are within hydrogen bonding distance to the incoming ddCTP and templating gu

242 ion of the residues that are within hydrogen bonding distance to the oxirane or phosphonate oxygens o

243 y conserved tyrosine located within hydrogen-bonding distance to TPQ has been explored by employing s

244 face of the cofactor and is within hydrogen-bonding distance to Y286, while C280 is located about 3.

245 transferase activity and lie within hydrogen bonding distances to the carboxyl and sulfo groups of th

246 he CXF fluorine atom at a approximately 3 A (bonding) distance to a guanidinium N of Arg183.

247 Increases in the Zn-Cys bond distances upon selenohomocysteine binding together

248 The M-C and M-N bond distances vary in the order Cu < Au < Ag.

249 ing the resulting general equation, the Cu-O bond distance was predicted to be approximately 1.80 A f

250 The observed M-M bonds distances were 2.3591(9), 2.6257(5), and 2.5738(3)

251 may result from the changes in metal-ligand bond distances when ligands are involved in intermolecul

252 utational studies which predict that the H-H bond distance will increase with temperature and will be

253 of the isoalloxazine ring is within hydrogen bonding distance with a hydroxyl group of 2,5-DiCHQ.

254 nsaturated nucleoside is within the hydrogen bonding distance with the amide backbone of Asp185, whic

255 he phenolic OH group is seen within hydrogen bonding distance with the base moieties of two template