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566982 occurrences (No.17 in the rank) during 5 years in the PubMed. [no cache] 500 found

424) The isotope effects due to deuteriation at the OH position are shown to be superior to chemical shift in determination of equilibrium positions of these almost symmetrical -pyridoyl-benzoyl methanes.

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PMID:24070650 DOI:10.1016/j.saa.2013.08.117

2015 Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

* Determination of the tautomeric equilibria of pyridoyl benzoyl β-diketones in the liquid and solid state through the use of deuterium isotope effects on (1)H and (13)C NMR chemical shifts and spin coupling constants.

- The tautomeric equilibria for 2-pyridoyl-, 3-pyridoyl-, and 4-pyridoyl-benzoyl methane have been investigated using deuterium isotope effects on (1)H and (13)C chemical shifts both in the liquid and the solid state. Equilibria are established both in the liquid and the solid state. In addition, in the solution state the 2-bond and 3-bond J((1)H-(13)C) coupling constants have been used to confirm the equilibrium positions. The isotope effects due to deuteriation at the OH position are shown to be superior to chemical shift in determination of equilibrium positions of these almost symmetrical -pyridoyl-benzoyl methanes. The assignments of the NMR spectra are supported by calculations of the chemical shifts at the DFT level. The equilibrium positions are shown to be different in the liquid and the solid state. In the liquid state the 4-pyridoyl derivative is at the B-form (C-1 is OH), whereas the 2-and 3-pyridoyl derivatives are in the A-form. In the solid state all three compounds are on the B-form. The 4-pyridoyl derivative shows unusual deuterium isotope effects in the solid, which are ascribed to a change of the crystal structure of the deuteriated compound.

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(1)251 of	(8)5 to	(15)3 that	(22)2 models
(2)52 on	(9)4 are	(16)3 with	(23)2 observed
(3)29 null	(10)4 such	(17)2 at	(24)2 regression
(4)22 in	(11)3 between	(18)2 due	(25)2 through
(5)16 and	(12)3 from	(19)2 has
(6)13 were	(13)3 induced	(20)2 include
(7)7 for	(14)3 may	(21)2 limited

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--- WordNet output for effects --- =>個人資産 Overview of noun effects The noun effects has 1 sense (no senses from tagged texts) 1. effects, personal effects -- (property of a personal character that is portable but not used in business; "she left some of her personal effects in the house"; "I watched over their effects until they returned") Overview of noun effect The noun effect has 6 senses (first 5 from tagged texts) 1. (101) consequence, effect, outcome, result, event, issue, upshot -- (a phenomenon that follows and is caused by some previous phenomenon; "the magnetic effect was greater when the rod was lengthwise"; "his decision had depressing consequences for business"; "he acted very wise after the event") 2. (11) impression, effect -- (an outward appearance; "he made a good impression"; "I wanted to create an impression of success"; "she retained that bold effect in her reproductions of the original painting") 3. (9) effect -- (an impression (especially one that is artificial or contrived); "he just did it for effect") 4. (2) effect, essence, burden, core, gist -- (the central meaning or theme of a speech or literary work) 5. (1) effect, force -- ((of a law) having legal validity; "the law is still in effect") 6. effect -- (a symptom caused by an illness or a drug; "the effects of sleep loss"; "the effect of the anesthetic") Overview of verb effect The verb effect has 2 senses (first 2 from tagged texts) 1. (17) effect, effectuate, set up -- (produce; "The scientists set up a shock wave") 2. (3) effect -- (act so as to bring into existence; "effect a change") --- WordNet end ---