J Timothy Sage
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Explore the profile of J Timothy Sage including associated specialties, affiliations and a list of published articles.
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46
Citations
541
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Recent Articles
1.
Peng Q, Sage J, Liu Y, Wang Z, Hu M, Zhao J, et al.
Inorg Chem
. 2018 Jul;
57(15):8788-8795.
PMID: 30010336
Compared to well studied diatomic ligands (NO, CN, CO), the axial bonds of carbene hemes is much less known although its significance in biological chemistry. The unusually large quadrupole splitting...
2.
Scheidt W, Li J, Sage J
Chem Rev
. 2017 Sep;
117(19):12532-12563.
PMID: 28921972
Nuclear resonance vibrational spectroscopy (NRVS; also known as nuclear inelastic scattering, NIS) is a synchrotron-based method that reveals the full spectrum of vibrational dynamics for Mössbauer nuclei. Another major advantage,...
3.
Salna B, Benabbas A, Sage J, van Thor J, Champion P
Nat Chem
. 2016 Aug;
8(9):874-80.
PMID: 27554414
Directional proton transport along 'wires' that feed biochemical reactions in proteins is poorly understood. Amino-acid residues with high pKa are seldom considered as active transport elements in such wires because...
4.
Peng Q, Pavlik J, Silvernail N, Ercan Alp E, Hu M, Zhao J, et al.
Chemistry
. 2016 Mar;
22(18):6323-6332.
PMID: 26999733
The vibrational spectrum of a six-coordinate nitrosyl iron porphyrinate, monoclinic [Fe(TpFPP)(1-MeIm)(NO)] (TpFPP=tetra-para-fluorophenylporphyrin; 1-MeIm=1-methylimidazole), has been studied by oriented single-crystal nuclear resonance vibrational spectroscopy (NRVS). The crystal was oriented to give...
5.
Thompson L, Lasoroski A, Champion P, Sage J, Frisch M, van Thor J, et al.
J Chem Theory Comput
. 2015 Nov;
10(2):751-66.
PMID: 26580050
A systematic comparison of different environmental effects on the vibrational modes of the 4-hydroxybenzylidene-2,3-dimethylimidazolinone (HBDI) chromophore using the ONIOM method allows us to model how the molecule's spectroscopic transitions are...
6.
Chakraborty S, Reed J, Sage J, Branagan N, Petrik I, Miner K, et al.
Inorg Chem
. 2015 Aug;
54(19):9317-29.
PMID: 26274098
This Forum Article focuses on recent advances in structural and spectroscopic studies of biosynthetic models of nitric oxide reductases (NORs). NORs are complex metalloenzymes found in the denitrification pathway of...
7.
Benabbas A, Salna B, Sage J, Champion P
J Chem Phys
. 2015 Mar;
142(11):114101.
PMID: 25796225
Analytical models describing the temperature dependence of the deep tunneling rate, useful for proton, hydrogen, or hydride transfer in proteins, are developed and compared. Electronically adiabatic and non-adiabatic expressions are...
8.
Li J, Peng Q, Oliver A, Ercan Alp E, Hu M, Zhao J, et al.
J Am Chem Soc
. 2014 Dec;
136(52):18100-10.
PMID: 25490350
Oriented single-crystal nuclear resonance vibrational spectroscopy (NRVS) has been used to obtain all iron vibrations in two {FeNO}(6) porphyrinate complexes, five-coordinate [Fe(OEP)(NO)]ClO4 and six-coordinate [Fe(OEP)(2-MeHIm)(NO)]ClO4. A new crystal structure was...
9.
Linder D, Silvernail N, Barabanschikov A, Zhao J, Ercan Alp E, Sturhahn W, et al.
J Am Chem Soc
. 2014 Jun;
136(28):9818-21.
PMID: 24950373
Heme-carbonyl complexes are widely exploited for the insight they provide into the structural basis of function in heme-based proteins, by revealing the nature of their bonded and nonbonded interactions with...
10.
Pavlik J, Peng Q, Silvernail N, Ercan Alp E, Hu M, Zhao J, et al.
Inorg Chem
. 2014 Feb;
53(5):2582-90.
PMID: 24528178
The vibrational spectra of two five-coordinate nitrosyl iron porphyrinates, [Fe(OEP)(NO)] (OEP = dianion of 2,3,7,8,12,13,17,18-octaethylporphyrin) and [Fe(DPIX)(NO)] (DPIX = deuteroporphyrin IX), have been studied by oriented single-crystal nuclear resonance vibrational...