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1 g compounds (decomposition enthalpy <0.05 eV/atom).
2 ntained a sulfur atom attached to an arsenic atom.
3 stituted carbon atoms attached to a nitrogen atom.
4 ing from the difference of a single fluorine atom.
5 roach capable of designing materials atom-by-atom.
6 ation for ionization of helium atom and neon atom.
7 ic interplay between dislocations and solute atoms.
8 ges composed of alternating carbon and boron atoms.
9 rmation of quantum liquid droplets from cold atoms.
10 ess that results in the clustering of solute atoms.
11 the presence of the alloyed transition metal atoms.
12 ter can hydrogen bond to the cysteine sulfur atoms.
13 nd S-containing species with up to 18 oxygen atoms.
14 y engineering grain boundaries with hydrogen atoms.
15 tures from side chains down to water and ion atoms.
16 n rule for radiative transitions in isolated atoms.
17 reading out the positive charge over several atoms.
18 between molecular carbon and copper surface atoms.
19 with a tunable dispersion density of single atoms.
21 pic superconducting circuits into artificial atoms(2), enabling some of the best-controlled qubits to
22 engineering based on structured ensembles of atoms(4,8,9) and paves the way towards controlling many-
25 otope effect (KIE = 31.9 +/- 1.0) suggests H-atom abstraction (HAA) is the rate-determining step, ind
26 capability of LCuF to perform both hydrogen atom abstraction and radical capture was leveraged to en
28 isotope effect (KIE) = 6, consistent with H-atom abstraction by S being the rate-determining step.
29 nd deuterium isotope effects on the hydrogen atom abstraction by the adenosyl radical were used to in
30 eal that catalysis proceeds through hydrogen atom abstraction followed by radical rebound, as observe
31 (N1-H)(.) via dG(N2-H)(.) following hydrogen atom abstraction from dG is unlikely to be a major pathw
36 t with these observations involving hydrogen atom addition to the ipso position of the phenyl ring co
38 creased reactivity of a nucleophile when the atom adjacent to the nucleophilic atom has high electron
40 urthermore, the introduction of single metal atoms anchored onto supports provided another effective
43 toms) or (*)OH (e.g., addition of one oxygen atom and decarboxylation) are observed and produce highl
45 lowest fraction of KED on the transferred H-atom and the highest chance to follow rebound hydroxylat
47 ead to a more efficient utilization of metal atoms and at the same time enhance catalytic performance
48 grids enables the detection of single metal atoms and atomic-resolution imaging of the iron core of
51 -pair repulsion between neighboring nitrogen atoms and maximize the favorable hyperconjugative donati
52 encies indeed enable tracking of single gold atoms and molecules with 17-us time resolution, more tha
55 nment, and electronic properties of isolated atoms and thus providing a platform for tailoring hetero
57 ning a linear array of more than three metal atoms, and coordination polymers with a heterometallic m
59 ent and simulation results show that when Li atoms are deposited on rGO, each layer of Li atoms grows
62 el that traces the fate of individual carbon atoms as they interact with their environment, undergoin
63 of Mo and Y/Sc and Kagome ordering of the Al atoms, as evident from X-ray diffraction and electron mi
65 educed to the elements belonging to a single atom at the site of isotopic substitution, reveals a rem
66 toms reveal that the segregation of hydrogen atoms at the grain boundaries, rather than the change of
70 interface, which causes migration of surface atoms away from the dendrite tips, thereby smoothening t
73 al dipole orientations generated from the Gd atom being trapped at two different sites inside the C(8
74 l-ACP with five of the seven pimelate carbon atoms being derived from glutaryl-CoA, an intermediate i
75 t structures of human SQOR revealed a sulfur atom bridging the SQOR active site cysteines in a trisul
76 ternative architecture that realizes a giant atom by coupling small atoms to a waveguide at multiple,
78 also computes significance scores of pocket atoms, called BionoiScores, to provide meaningful insigh
79 proach to quantum information science, where atoms can be deterministically positioned in a quantum b
80 iB(2) O(-) [Bi=B-B=O](-) in which both boron atoms can be viewed as sp-hybridized and the [B-BO](-) f
81 Herein, we rationally design a new In single-atom catalyst containing exclusive isolated In(delta+) -
82 rk, for the first time we employ iron single-atom catalysts (Fe-N-C SACs) as an advanced co-reactant
88 t strategy to fabricate various metal single-atom catalysts on nitrogen-doped carbon (M(1)/CN, M = Pt
89 ene is one of the most representative single-atom catalysts, and it has a high activity and selectivi
92 phobic Beta zeolites containing framework Sn atoms catalyze the transfer hydrogenation reaction of cy
94 ments (SSEs), backbone structure, and Calpha atoms, combining the results of each to produce a comple
95 n features tended to have fewer Cl and/or Br atoms compared to traditional legacy contaminant feature
97 ly, the molecular switch with terminal bromo atoms confers reversible handedness inversion to the hel
101 le consisting of a few hundred ytterbium-171 atoms, corresponding to a reduction of the averaging tim
102 engineering of C(3) N(4) layers with single-atom Cu bonded with compositional N (Cu N(x) ) is demons
104 to evaluate the spatio-temporal evolution of atoms, diatoms, polyatomic molecules, and nanoparticles
105 ization, and excellent activity, single iron atoms dispersed on nitrogen-doped carbons (Fe-N-C) have
106 en atom transfer (cHAT), where each hydrogen atom donated to the alkene arrives from a different cata
107 -absorbing reagent and electron and hydrogen atom donor to promote the desulfonylation reaction.
108 al motif is common across a range of M and X atoms (e.g., NbSe(3), HfTe(3,)TaS(3)), but not all M and
109 d to heterocycles with two nitrogen or boron atoms, e.g., C(2)B(10)H(12) carboranes versus planar N(2
111 boasts a wide scope, and can be made highly atom economic, makes this new methodology a very appeali
112 H bond activation, providing straightforward atom-economic access to a wide variety of multisubstitut
115 nvergent synthetic plan by the use of highly atom-economical and chemoselective transformations in wh
118 benzylic oxidation is accomplished with high atom economy without the use of directing groups, achiev
119 sts are vital to unlock superior efficiency, atom economy, and environmental friendliness in chemical
120 under mild conditions and demonstrates good atom economy, requiring only a modest excess of the phos
121 e C-H borylation has long suffered from poor atom economy, resulting from both the inclusion of only
124 ingle-atom catalysts not only maximize metal atom efficiency, they also display properties that are c
127 alite structure (Type-VII clathrate) with La atoms encapsulated within truncated octahedral cages com
128 y the antibiotic kirromycin, we employed all-atom explicit-solvent molecular dynamics simulations of
130 ive catalyst comprised exclusively of single-atom Fe(1)(II)-N(4) sites via in-temperature X-ray absor
131 ctive graphene ripples, followed by adsorbed atoms flipping to the other side of the graphene sheet w
132 The substitution of paramagnetic chlorine atoms for IAEs proves the magnetic nature of quasi-atomi
134 ents to achieve both a global search and all-atom force calculations to determine the relative affini
135 nuclearity copper nanocluster with 81 copper atoms, formulated as [Cu(81)(PhS)(46)((t)BuNH(2))(10)(H)
136 the asymmetric unit containing eight silver atoms, four melamine and four cyanuric acid molecules, w
137 G-Py) to encapsulate a semiconducting, heavy-atom-free pyrrolopyrrolidone-tetraphenylethylene (DPPTPE
138 Here, the direct observation of palladium atoms from a nanoparticle passing through a defect in a
140 atoms are deposited on rGO, each layer of Li atoms grows along (110) crystallographic plane of the Li
142 1,2), the use of quantum degenerate gases of atoms has enabled the quantum emulation of important sys
143 Additionally, heteroboranes with two carbon atoms have been compared to heterocycles with two nitrog
144 form endohedral metallofullerenes, few metal atoms have been observed to be part of the fullerene cag
145 y quantum-mechanical nature of electrons and atoms, have revealed exotic properties that arise from c
146 chanical tunneling (QMT) chemistry involving atoms heavier than hydrogen was considered unreasonable.
148 e spin-orbit coupling associated to Br heavy atoms in 1,3,5,8-tetrabromopyrene (TBP), and the photoin
150 an ensemble of about a million strontium-88 atoms in an optical cavity to simulate a collective Lipk
151 deformation and/or the rotation of fluorine atoms in anionic sites, thereby enabling ZU-61 to effect
157 ns reveal an intercalation-type doping of Fe atoms in the tunnels of the W(18) O(49) crystal structur
158 n) and an additional substituent (at the C-3 atom), in turn synthesized from cyclopent-3-ene carboxyl
159 wn to provide seven of the ten biotin carbon atoms including all those of the valeryl side chain.
160 ne unit of the adamantane group by an oxygen atom increases the solubility, permeability, and stabili
161 new theoretical model structure, with carbon atoms inserted into the boron icosahedra and 2b sites in
162 veral different reaction pathways for oxygen atom insertion were explored-each encompassing a unique
163 hyperconjugative donation from each nitrogen atom into neighboring electron-poor sigma bonds, with th
164 ctures demonstrate that introducing N and Mo atoms into C and Ru lattices, respectively, triggers ele
165 ng undertaking - coordination of Lewis basic atoms into metal centers often necessitate elevated temp
166 rly indistinguishable and tunable artificial atoms into phase-stable PICs marks a key step towards mu
167 Here, we show that newly introduced nitrogen atoms into the inhibitor scaffold can act as hydrogen bo
168 nreactive C-H bond, proximal to the nitrogen atom, into a versatile chemical entity would be a powerf
169 hich establishes a new limit for the heavier atom involved in a QMT reaction in cryogenic matrices.
173 gy for tuning molecular properties, yet this atom is rarely found in Nature and approaches to integra
174 guishing remote C-H bonds on adjacent carbon atoms is an extraordinary challenge due to the lack of e
175 ontaining internal chains of bonded nitrogen atoms, is of fundamental scientific interest in chemical
181 MT1, but the bisubstrate analogue with a 5-C atom linker only interacts with the substrate-binding si
184 ular dynamics (MD) simulations of an 800 000 atom model of SPL C complex from yeast Saccharomyces cer
186 eed atomic force microscopy (HS-AFM) and all-atom molecular dynamics (MD) simulations to study the be
190 used a combination of coarse-grained and all-atom molecular dynamics simulations of a CRAF RBD-CRD co
192 coarse-grained structural modeling, and all-atom molecular dynamics simulations-based refinement, an
195 tline the impressive progress made in single-atom nanozymes and we discuss their applications in sens
197 paradigm that the NCs with continuous metal atom numbers are accessible and crystallizable when meti
199 of dihydrogen are transferred to the same C atom of a triple bond while the other position transform
200 n acyclic iodide through which a pentavalent atom of phosphorus can be introduced via the Arbuzov rea
201 d distances for close contacts between the S atom of SAM and Tyr68 or between any of the H atoms of t
202 rs via the cis form when the terminal oxygen atom of the NOO moiety reacts with the ortho position of
203 (H)tBu led by the insertion of the central C atom of the P=C=C group into the alpha-C-H bond of an iP
206 mentally new transformation, in which both H atoms of dihydrogen are transferred to the same C atom o
209 emical analysis, suggest that the two carbon atoms of the L->C(2) complex both have carbene character
211 tom of SAM and Tyr68 or between any of the H atoms of the transferring methyl group and either Met40
212 es with superatomic nanoclusters rather than atoms offers the possibility of new hierarchical solids
215 tivation, namely direct activation through H-atom or hydride transfer from the sigma-H(2) adducts.
216 eased by electronic relaxation of an excited atom or molecule leads to ionization of a neighboring on
217 nd O(3) (e.g., addition of one to two oxygen atoms) or (*)OH (e.g., addition of one oxygen atom and d
218 de new insights including surface accessible atoms, overall assemblage, and interactions among the mo
220 can sustain growth with less than 50 cobalt atoms per cell, ~100-fold lower than minimum iron requir
221 ory calculations support up to 0.48 hydrogen atoms per formula unit of ([Formula: see text])[Formula:
223 anched conjugates loaded with up to 80 boron atoms per peptide molecule exhibited a maintained recept
224 The intrinsic activity of in-plane chalcogen atoms plays a significant role in the catalytic performa
228 in the field, including multimetallic SACs, atom proximity control, and possible applications for mu
230 ing evidence for a mechanism involving heavy-atom QMT through crossing triplet to singlet potential e
231 tudies with solid-state devices in the giant-atom regime have been limited to superconducting qubits
233 DBO, ANT3310, which uniquely has a fluorine atom replacing the carboxamide and stands apart from the
234 e materials is challenging because the metal atoms reside on surfaces that are typically nonuniform i
235 support users in gaining insights on the key atoms/residues responsible for protein-ligand interactio
237 functionalization occurs at C3 and C2 carbon atoms, respectively, at the indole scaffold in the prese
238 zation and atomic-scale tracking of hydrogen atoms reveal that the segregation of hydrogen atoms at t
242 anthanide polyoxometalates (LnPOMs) as heavy atoms source, which could be used alternatively to UA in
244 e, we developed a piecewise approach for all-atom steered molecular dynamics simulations to examine s
246 rming reaction opens a straightforward pot-, atom-, step-, and energy-economic access to syntheticall
250 er catalysts for a reducing equivalent (an H atom), such that a water-soluble "reactive oxygen specie
251 e synthesis of rare-earth single erbium (Er) atoms supported on carbon nitride nanotubes (Er(1) /CN-N
253 experiments and calculations reveal that Pd atoms tend to migrate into the surface vacancy-enriched
254 ique chemical shift that is attributed to Cs atoms terminating the surface of the particle and which
255 The Fe(1)(II)-O(4) releases a single Fe atom that diffuses into the N-doped carbon defect formin
258 the active site is formed by an ensemble of atoms, thus introducing further complications in its ide
261 that realizes a giant atom by coupling small atoms to a waveguide at multiple, but well separated, di
262 While fullerenes are known to entrap metal atoms to form endohedral metallofullerenes, few metal at
263 radical hydrogenation: cooperative hydrogen atom transfer (cHAT), where each hydrogen atom donated t
264 e mechanism suggests intermolecular hydrogen atom transfer (HAT) chemistry is at play, rather than cl
265 y two types of reactions occur: (a) hydrogen-atom transfer (HAT) from a donor to the peroxyl radical;
266 n of the oxidizing ability of S via hydrogen atom transfer (HAT) from TEMPO-H (2,2,6,6-tetramethylpip
267 reaction is proposed to operate via hydrogen atom transfer (HAT) from the substrate to the photoexcit
268 single electron transfer (SET) and hydrogen atom transfer (HAT) reactions, thus covering all the phy
269 are detailed, enlisting late-stage, hydrogen atom transfer (HAT)-mediated free radical bond formation
272 l radical reactions-cobalt-mediated hydrogen-atom transfer and copper-promoted radical cyanation-to a
277 of 2,3-dichloropyridine N-oxide as an oxygen atom transfer reagent reverses the regioselectivity to g
281 x-catalyzed C-H arylation and intermolecular atom-transfer radical addition through oxidative quenchi
285 ions have been reported on the role of heavy-atom tunneling in the area of pericyclic reactions, pai-
286 fit with statistical expectations from heavy-atom tunneling when a low-energy sensitizer is employed,
288 leic acids, water, ligands and other solvent atoms, using models fitted to or derived from cryo-EM ma
290 lectronic and structural properties, maximum atom-utilization efficiency, and outstanding catalytic p
291 direct connection between real space, namely atoms, valence electrons, bonds, and orbitals, and recip
293 xchanging every hydroxyl group by a fluorine atom, we developed a strategy combining chemical mapping
294 umvent spin-spin broadening, iron and nickel atoms were doped into nonmagnetic [ZnAl]-LDH materials a
295 bicyclic sultams with a bridgehead nitrogen atom) were outlined, and a number of these compounds (in
296 with considerable displacement of the oxygen atom, which establishes a new limit for the heavier atom
297 ining fluorine, chlorine, bromine and iodine atoms, which vary by length and level of halogen substit
298 a THF/c-hexane solution, but abstracts an H atom with formation of the diamagnetic BNB-doped 1H-phen
301 loalkyl group linked via a quaternary carbon atom, with up to 40-fold increased potency against human