ELIZA

return kwic search for show out of >500 occurrences
663834 occurrences (No.9 in the rank) during 5 years in the PubMed. [cache]

391) The most stable conformations found for neutral NALCME and NALC exhibit drastically difference VCD patterns, whereas those of deprotonated NALC show similar patterns.

--- ABSTRACT ---

PMID:24076069 DOI:10.1016/j.saa.2013.08.118

2015 Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

* Identifying dominant conformations of N-acetyl-L-cysteine methyl ester and N-acetyl-L-cysteine in water: VCD signatures of the amide I and the C=O stretching bands.

- Infrared (IR) and vibrational circular dichroism (VCD) spectra of N-Acetyl-L-Cysteine Methyl Ester (NALCME) and N-Acetyl-L-Cysteine (NALC) in D2O under different pHs were measured. We focus on the VCD signatures of the amide I and the C=O stretching spectral signatures of the neutral NALCME and NALC species and the related ones of the deprotonated NALC species in the region of 1800-1500 cm(-1). A sign inversion is observed for the amide I VCD band going from the neutral NALCME and NALC to the deprotonated NALC species. Density functional theory (DFT) calculations were carried out to search for the possible conformations of these three species and to simulate their IR and VCD spectra at the B3LYP/aug-cc-pVTZ level in the gas phase and with the polarization continuum model of water solvent. The most stable conformations found for neutral NALCME and NALC exhibit drastically difference VCD patterns, whereas those of deprotonated NALC show similar patterns. We establish an empirical structural-spectral relationship where the aforementioned VCD signatures can be used as spectral markers to identify dominant conformations of these two amino acid derivatives under different pHs. It is recognized that the dominant conformers identified using the VCD spectral markers differ from those based on the relative DFT energies for neutral NALCME and NALC. The influence of solvent on both the conformational geometries and their relative stabilities is discussed. The aforementioned discrepancy can be attributed to the explicit solute-solvent hydrogen-bonding interactions which are not accounted for in the calculations. The empirical structural-spectral relationship identified can potentially be applied to large, related amino acids and polypeptides in water.

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[frequency of next (right) word to show]

(1)255 that	(9)5 here	(17)3 different	(25)2 differences
(2)30 a	(10)5 promise	(18)3 risk	(26)2 differential
(3)24 the	(11)4 by	(19)3 statistically	(27)2 for
(4)13 how	(12)4 greater	(20)3 such	(28)2 great
(5)13 significant	(13)4 higher	(21)2 null	(29)2 important
(6)8 any	(14)4 increased	(22)2 beneficial	(30)2 lower
(7)8 that,	(15)4 more	(23)2 changes
(8)7 an	(16)4 similar	(24)2 clinical

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--- WordNet output for show --- =>教える, 見せること, 展覧会, 見世物, 外観, を見せる, を案内する, を明らかにする, 見える Overview of noun show The noun show has 4 senses (first 2 from tagged texts) 1. (18) show -- (the act of publicly exhibiting or entertaining; "a remarkable show of skill") 2. (9) display, show -- (something intended to communicate a particular impression; "made a display of strength"; "a show of impatience"; "a good show of looking interested") 3. show -- (a social event involving a public performance or entertainment; "they wanted to see some of the shows on Broadway") 4. appearance, show -- (pretending that something is the case in order to make a good impression; "they try to keep up appearances"; "that ceremony is just for show") Overview of verb show The verb show has 12 senses (first 11 from tagged texts) 1. (136) show, demo, exhibit, present, demonstrate -- (give an exhibition of to an interested audience; "She shows her dogs frequently"; "We will demo the new software in Washington") 2. (63) prove, demonstrate, establish, show, shew -- (establish the validity of something, as by an example, explanation or experiment; "The experiment demonstrated the instability of the compound"; "The mathematician showed the validity of the conjecture") 3. (57) testify, bear witness, prove, evidence, show -- (provide evidence for; "The blood test showed that he was the father"; "Her behavior testified to her incompetence") 4. (43) show -- (make visible or noticeable; "She showed her talent for cooking"; "Show me your etchings, please") 5. (32) picture, depict, render, show -- (show in, or as in, a picture; "This scene depicts country life"; "the face of the child is rendered with much tenderness in this painting") 6. (24) express, show, evince -- (give expression to; "She showed her disappointment") 7. (24) indicate, point, designate, show -- (indicate a place, direction, person, or thing; either spatially or figuratively; "I showed the customer the glove section"; "He pointed to the empty parking space"; "he indicated his opponents") 8. (11) show, show up -- (be or become visible or noticeable; "His good upbringing really shows"; "The dirty side will show") 9. (7) read, register, show, record -- (indicate a certain reading; of gauges and instruments; "The thermometer showed thirteen degrees below zero"; "The gauge read `empty'") 10. (6) show -- (give evidence of, as of records; "The diary shows his distress that evening") 11. (2) usher, show -- (take (someone) to their seats, as in theaters or auditoriums; "The usher showed us to our seats") 12. show -- (finish third or better in a horse or dog race; "he bet $2 on number six to show") --- WordNet end ---