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1 ENDOR and EPR measurements show that photolysis generate
2 ENDOR and ESEEM spectroscopy of Cu(II)-PcoC and the (15)
3 ENDOR and HYSCORE spectra of these transient species (us
4 ENDOR data for selectively (15)N-labeled derivatives of
5 ENDOR for this study was done at the g(//) = 2.00 extrem
6 ENDOR frequencies from heme meso-protons, assigned with
7 ENDOR frequencies showed for cytochrome c' larger hyperf
8 ENDOR of exchangeable protons shows that the water/hydro
9 ENDOR of the nitrogen ligand hyperfine structure is a di
10 ENDOR of the wild-type Type 2 center at pH 6.0 revealed
11 ENDOR provided additional structural information through
12 ENDOR revealed weak nitrogen hyperfine coupling to one o
13 ENDOR sensitively probes bonding along the L2-M-E axis (
14 ENDOR shows that the major conformer has a histidine and
15 ENDOR spectra contained signals derived from two protons
16 ENDOR spectra of QB-* from both samples (35 GHz, 77 K) s
17 ENDOR spectra of this state confirm that the (63,65)Cu n
18 ENDOR studies have suggested that E4, the state that bin
19 ENDOR studies of E(4) showed that it contains two hydrid
20 ENDOR studies of the PFL-AE/[(13)C-methyl]-SAM complex s
21 ENDOR studies show that in the dominant oxo-bridged dife
22 ENDOR was a direct probe of the unpaired electron densit
23 ENDOR-determined electron-proton distances from the unpa
25 xial Fe-CN and Fe-S bonding is probed by 13C ENDOR of the cyanide ligand and 1Hbeta ENDOR measurement
26 examine this distance, we have performed 13C ENDOR measurements of the "very rapid" EPR signal genera
30 me in CN-P450cam is directly compared by 14N ENDOR, while the axial Fe-CN and Fe-S bonding is probed
32 the absence of an associated exchangeable 1H ENDOR signal, is consistent with an N2 molecule bound en
34 study was to identify and assign sets of 1H-ENDOR lines to protons hydrogen bonded to each of the tw
37 y 13C ENDOR of the cyanide ligand and 1Hbeta ENDOR measurements to determine the spin density delocal
39 MoFe protein variant through use of advanced ENDOR methods: 'random-hop' Davies pulsed 35 GHz ENDOR;
42 ding of a sixth ligand in cytochrome c', and ENDOR from a proton of the functionally important Phe14
47 pE inhibitor, and supported again by EPR and ENDOR results (a (13)C hyperfine coupling of approximate
50 The application of 35 GHz pulsed EPR and ENDOR spectroscopies has established that the biomimetic
51 diradical dianion using UV/Vis/NIR, EPR and ENDOR spectroscopies in addition to X-ray crystallograph
53 ced these complexes at 77 K and used EPR and ENDOR spectroscopies to characterize the initial product
54 shown by cyclic voltammetry, and by EPR and ENDOR spectroscopies, to share electrons across the NDI
59 {(+/-)-1(*-)}], which was studied by EPR and ENDOR spectroscopy to reveal substantial delocalization
65 otopic substitution, multifrequency EPR, and ENDOR spectroscopic experiments rule out the possibility
69 to gamma-irradiation at 77 K yields EPR- and ENDOR-active, one-electron-reduced oxyheme centers which
71 omplexes were characterized by (31)P NMR and ENDOR spectroscopy that substantiated the encapsulation
74 ith superoxide and have used vibrational and ENDOR spectroscopies to study the properties of the acti
78 oordination sphere of Mn catalase, CW Q-band ENDOR spectroscopy revealed two distinctly different (17
80 ated against the orientation-selected Q-band ENDOR study of the Q(A) SQ by Flores et al., with good a
81 ting of orientation-selective Ka- and Q-band ENDOR, 1D ESEEM, and HYSCORE spectra of (14)N and (15)N-
82 rogenase variants and investigated by Q-band ENDOR/ESEEM are identical to states, denoted H and I, fo
85 Taken in concert with our previous X-band ENDOR measurements at g( perpendicular), the present dat
87 sotropic hyperfine coupling to the cation by ENDOR measurements establishes its intimate, SAM-mediate
90 sh the 14NO hyperfine coupling determined by ENDOR (electron nuclear double resonance), and increase
91 l rearrangements with pH can be monitored by ENDOR spectroscopy and suggests that a similar approach
92 s of this observation, chiral recognition by ENDOR spectroscopy was achieved by complexation of [Li(+
93 an S = (1/2) intermediate that was shown by ENDOR and EPR spectroscopy to contain N2 or a reduction
100 perfine contributions for the (2)H and (13)C ENDOR, we have estimated the distance from the closest m
101 lexes, as evidenced by (1)H, (2)H, and (13)C ENDOR, where hyperfine couplings of approximately 6 MHz
102 nearly conservative F229W variant, but (13)C-ENDOR reveals a minority "A" conformation with (g(||) >
104 l field-frequency pattern of 2K-35 GHz (13)C-ENDOR spectra collected across the A(red)-CO EPR envelop
106 In this report, we use 35 GHz pulsed and CW ENDOR spectroscopy to examine the coordination of Fe by
108 to simulations of orientation-selective, 2-D ENDOR patterns for the perdeuterated naphthalene sample,
110 contribute in turning experimentally derived ENDOR parameters into structures for species bound to Fe
111 metal ion, and on the absence of detectable ENDOR signals either from the in-plane 14N ligands or fr
113 teraction not previously reported in earlier ENDOR and pulsed electron paramagnetic resonance studies
117 s native pMMO have been investigated by EPR, ENDOR, and ESEEM spectroscopies in combination with meta
118 rt the results of a series of chemical, EPR, ENDOR, and HYSCORE spectroscopic investigations of the m
119 ble absorption and CD, resonance Raman, EPR, ENDOR, Mossbauer, and EXAFS studies of [2Fe-2S] Grx3/4 h
120 ed species are also consistent with the EPR, ENDOR, and Mossbauer spectroscopies for the enzyme state
123 ut also validates the approach combining EPR/ENDOR spectroscopy with DFT-calculated magnetic resonanc
127 ry structural, spectroscopic (Mossbauer, EPR/ENDOR, IR), and computational probes that illustrate the
130 on about the M-H2 axis is probed through EPR/ENDOR studies and a neutron diffraction crystal structur
134 freeze-quenching of the reaction species for ENDOR studies while a noncovalent Michaelis complex coul
135 f the dinuclear center of Uf as deduced from ENDOR data includes a bridging hydroxide and a terminal
137 ere is more in line with recent results from ENDOR spectroscopy and high-resolution crystallography.
138 rupole tensors are obtained by pulsed 35 GHz ENDOR measurements for the (14/15)N-nitride and the (11)
139 r the E(4) intermediate state through 35 GHz ENDOR measurements of a (95)Mo enriched MoFe protein, fu
140 R methods: 'random-hop' Davies pulsed 35 GHz ENDOR; difference triple resonance; the recently develop
141 of linoleic acid relative to the metal; (1)H ENDOR and molecular dynamics simulations of the fully so
145 es that include the appearance of a new (1)H ENDOR signal, reflecting rearrangements in the active si
147 s display strongly coupled exchangeable (1)H ENDOR signals, with A max approximately 20 MHz and a iso
149 heme species with very similar EPR and (1)H ENDOR spectra in which protonation of the basic peroxy l
152 9.5 and 330-416 GHz EPR and from 34 GHz (1)H ENDOR spectroscopy, the g tensor of the radical and the
156 ombination of X/Q-band EPR and (15)N, (1,2)H ENDOR measurements suggested that states trapped during
158 OR spectra of bound TFE together with (1,2)H ENDOR spectra of bound ethanol indicate that the alcohol
162 olvent-derived ligand observed in the (1,2)H ENDOR to a hydroxo bridge between the irons of the mixed
163 ts using improved instrumentation, Mims (2)H ENDOR, and a recently developed pulsed-ENDOR protocol ("
164 e describe X/Q-band EPR and (14/15)N, (1,2)H ENDOR/HYSCORE/ESEEM measurements that characterize the N
165 haustive, high-resolution CW-stochastic (1)H-ENDOR experiments using improved instrumentation, Mims (
169 solution and orientational selectivity of HF ENDOR allows us to directly probe protein environments b
170 hape, which differs considerably from the HF ENDOR spectrum of the protein nuclei surrounding thermal
173 5 degrees ) of Q(B)(-) was observed with HF ENDOR spectra of two states of P(+)Q(B)(-): "active" and
174 ein, pulse EPR spectroscopy ((1,2)H HYSCORE, ENDOR) and X-ray crystallography, with corresponding DFT
175 dA1 was characterized by Mossbauer, HYSCORE, ENDOR, and nuclear resonance vibrational spectroscopy.
178 he steady state of the reaction, was used in ENDOR experiments to determine the nuclear spin transiti
180 ct bonding information, Q-band (34 GHz) Mims ENDOR was performed on a Mn(III)Mn(IV) dimer ([Mn(III)Mn
183 * limiting-state by (1)H, (57)Fe, and (95)Mo ENDOR to illuminate the partial electron-density redistr
187 oxygens in the two variants; likewise, (14)N ENDOR measurements of histidyl ligands bound to Fe show
188 te show much less intense and resolved (14)N ENDOR spectra than those of the structurally similar cry
189 HCO(3)(-) and H(2)O(2), both (1)H and (14)N ENDOR spectra were almost identical to those derived fro
190 both (16)O(2) and (17)O(2)) and (1)H, (14)N ENDOR spectroscopies to characterize the intermediates g
191 rum of (Rbr(ox))(mv) thus supports the (14)N ENDOR-assigned His131 ligation to Fe(2+) and assignment
193 2)Arg was shown by EPR and (1)H and (14,15)N ENDOR spectroscopies to generate 5; in contrast, during
194 Both proton ((1)H) and nitrogen ((14)N) ENDOR studies of bSOD1 and hSOD1 in the presence of H(2)
196 of orientation-selective (14,15)N and (17)O ENDOR data is interpreted in terms of a structural model
197 tein-derived ligands to Fe; (1,2)H and (17)O ENDOR of samples in D(2)O and H(2)(17)O solvent have con
198 into a non-mu-oxo position, from which (17)O ENDOR showed a smaller 3.8 MHz hyperfine coupling and po
200 t shows that the positions and amplitudes of ENDOR lines contain information on hyperfine interaction
202 tron transfer in SLO and (ii) sensitivity of ENDOR probes to test, detect, and corroborate kineticall
203 xes were obtained by spectral simulations of ENDOR spectra at different magnetic fields on frozen sol
205 e have found that continuous wave (CW) (31)P ENDOR is not successful in the study of phosphates and p
206 th the known enzyme structures and the (31)P ENDOR results establishes that the time-honored procedur
209 Ar)P(3)(B)Fe(NNH) derived from the presented ENDOR studies is diagnostic for the distally bound H ato
210 ulations allowed assignment of the prominent ENDOR features to two hydrogen bonds likely associated w
216 167 ligand as observed by Cys C(beta) proton ENDOR, implying there is a Type 2 and pH-dependent alter
218 and used to successfully simulate the proton ENDOR spectra at the low- (LF) and high-field (HF) edges
222 een studied by Q-band (35 GHz) CW and pulsed ENDOR spectroscopy of (1)H, (2)H and (19)F nuclei of exo
225 e advantage of improvements in 35 GHz pulsed ENDOR performance to reexamine the protonation state of
226 lei have also been detected by 35 GHz pulsed ENDOR spectroscopy, allowing a rough approximation of th
227 investigated by 140-GHz (1)H and (2)H pulsed ENDOR experiments of the Y2-containing subunit in proton
230 (2)H ENDOR, and a recently developed pulsed-ENDOR protocol ("PESTRE") to obtain absolute hyperfine i
233 ity of HF electron-nuclear double resonance (ENDOR) allows us to directly probe protein environments
234 (1)H-electron-nuclear double resonance (ENDOR) analysis of the P(700)(+) cation radical was also
235 s, namely electron-nuclear double resonance (ENDOR) and electron spin-echo envelope modulation (ESEEM
236 Using electron-nuclear double resonance (ENDOR) and hyperfine sublevel correlation (HYSCORE) spec
237 ts Q-band electron nuclear double resonance (ENDOR) and multifrequency electron paramagnetic resonanc
238 ned using electron nuclear double resonance (ENDOR) and X- and Q-band HYSCORE, are reduced to about h
239 )P pulsed electron-nuclear double resonance (ENDOR) at 35 GHz to obtain metrical information from (31
241 nd pulsed electron nuclear double resonance (ENDOR) demonstrates that the same cation site is occupie
242 s through electron-nuclear double resonance (ENDOR) in frozen solution (80 K) indicates distribution
243 and (1)H electron nuclear double resonance (ENDOR) measurements combined with quantitative measureme
244 y, pulsed electron-nuclear double resonance (ENDOR) measurements reveal a nearby weakly coupled excha
247 ency (HF) electron nuclear double resonance (ENDOR) of the transient charge separated state P865(+)Q(
248 itive EPR/electron nuclear double resonance (ENDOR) probe of the structure of the diamagnetic diiron(
249 nd pulsed electron-nuclear double resonance (ENDOR) protocols to identify the types of protonated oxy
250 and (31)P electron-nuclear double resonance (ENDOR) signal intensities for intracellular Mn(2+).
251 [(2)H]-Electron-nuclear double resonance (ENDOR) spectra at 94 GHz of this intermediate were obtai
252 Pulsed electron nuclear double resonance (ENDOR) spectra of nonexchangeable protons in the vicinit
253 e-crystal electron nuclear double resonance (ENDOR) spectra show that the unpaired spin population is
254 and (1)H electron nuclear double resonance (ENDOR) spectroscopies have been used to analyze intermed
255 (EPR) and electron-nuclear double resonance (ENDOR) spectroscopies on the monoreduced state reveal el
256 (EPR) and electron nuclear double resonance (ENDOR) spectroscopies with isotopic labeling, complement
257 tion, and electron-nuclear double resonance (ENDOR) spectroscopies, supported by electronic structure
259 (2)H electron-nuclear double resonance (ENDOR) spectroscopy accompanied by quantum chemical calc
260 (EPR) and electron nuclear double resonance (ENDOR) spectroscopy at liquid helium temperatures, the C
261 Here electron nuclear double resonance (ENDOR) spectroscopy of the anAdo* radical in the presenc
263 z) pulsed electron-nuclear double resonance (ENDOR) spectroscopy to identify solvent molecules coordi
271 EPR and electron nuclear double resonance (ENDOR) studies at both room temperature and in frozen so
272 and (14)N electron nuclear double resonance (ENDOR) studies indicate that both the ox1 and red1 state
273 (EPR) and electron-nuclear double resonance (ENDOR) studies of the chemically generated radical catio
274 ESEEM and electron nuclear double resonance (ENDOR) studies was consistent with the presence of at le
277 igated by electron nuclear double resonance (ENDOR), a technique not previously applied to this mixed
278 ce (EPR), electron-nuclear double resonance (ENDOR), and electron spin-echo envelope modulation (ESEE
279 ), pulsed electron-nuclear double resonance (ENDOR), and hyperfine sublevel correlation (HYSCORE)) el
282 approaches for acquiring and analyzing SCRP ENDOR that simplify interpretation of the spectra are di
285 two-dimensional (2-D) orientation-selective ENDOR patterns collected for this sample defined the loc
291 tho-H2 to the diamagnetic para-H2 causes the ENDOR signal to decrease as the temperature is lowered d
293 re, we report here that the positions of the ENDOR lines of the SCRP shift with an increase in the ti
295 e parameters derived from simulations of the ENDOR spectra we have determined the binding modes of th
296 crystal structure of the diferric site, the ENDOR data allow us to specify the Fe(2+) and Fe(3+) pos
297 ons of the molecule were compatible with the ENDOR-determined electron-nucleus distances to the side-
298 ations of the fully solvated SLO model using ENDOR-derived restraints give additional metrical inform