Matches in SemOpenAlex for { <https://semopenalex.org/work/W4210501839> ?p ?o ?g. }
- W4210501839 endingPage "251" @default.
- W4210501839 startingPage "239" @default.
- W4210501839 abstract "MA'AT analysis has been applied to methyl β-d-ribofuranoside (3) and methyl 2-deoxy-β-d-erythro-pentofuranoside (4) to demonstrate the ability of this new experimental method to determine multi-state conformational equilibria in solution. Density functional theory (DFT) was used to obtain parameterized equations for >20 NMR spin-coupling constants sensitive to furanose ring conformation in 3 and 4, and these equations were used in conjunction with experimental spin-couplings to produce unbiased MA'AT models of ring pseudorotation. These models describe two-state north-south conformational exchange consistent with results obtained from traditional treatments of more limited sets of NMR spin-couplings (e.g., PSEUROT). While PSEUROT, MA'AT, and aqueous molecular dynamics models yielded similar two-state models, MA'AT analysis gives more reliable results since significantly more experimental observables are employed compared to PSEUROT, and no assumptions are needed to render the fitting tractable. MA'AT models indicate a roughly equal distribution of north and south ring conformers of 4 in aqueous (2H2O) solution compared to ∼80% north forms for 3. Librational motion about the mean pseudorotation phase angles P of the preferred north and south conformers of 3 in solution is more constrained than that for 4. The greater rigidity of the β-ribo ring may be caused by synergistic stereoelectronic effects and/or noncovalent (e.g., hydrogen-bonding) interactions in solution that preferentially stabilize north forms of 3. MA'AT analysis of oligonucleotides and other furanose ring-containing biomolecules promises to improve current experimental models of sugar ring behavior in solution and help reveal context effects on ring conformation in more complex biologically important systems." @default.
- W4210501839 created "2022-02-08" @default.
- W4210501839 creator A5009012685 @default.
- W4210501839 creator A5021220246 @default.
- W4210501839 creator A5021445182 @default.
- W4210501839 creator A5024146725 @default.
- W4210501839 creator A5025974167 @default.
- W4210501839 creator A5077241316 @default.
- W4210501839 creator A5084605269 @default.
- W4210501839 date "2022-02-01" @default.
- W4210501839 modified "2023-10-15" @default.
- W4210501839 title "MA’AT Analysis of Aldofuranosyl Rings: Unbiased Modeling of Conformational Equilibria and Dynamics in Solution" @default.
- W4210501839 cites W1515192175 @default.
- W4210501839 cites W1969590178 @default.
- W4210501839 cites W1975828131 @default.
- W4210501839 cites W1976499671 @default.
- W4210501839 cites W1981655030 @default.
- W4210501839 cites W1982234715 @default.
- W4210501839 cites W1982356449 @default.
- W4210501839 cites W1982879387 @default.
- W4210501839 cites W1986366806 @default.
- W4210501839 cites W1986473729 @default.
- W4210501839 cites W1990719397 @default.
- W4210501839 cites W1995517155 @default.
- W4210501839 cites W2003712894 @default.
- W4210501839 cites W2004822259 @default.
- W4210501839 cites W2020503605 @default.
- W4210501839 cites W2024295146 @default.
- W4210501839 cites W2025154162 @default.
- W4210501839 cites W2026287351 @default.
- W4210501839 cites W2030094834 @default.
- W4210501839 cites W2030968743 @default.
- W4210501839 cites W2033268106 @default.
- W4210501839 cites W2033630082 @default.
- W4210501839 cites W2035266068 @default.
- W4210501839 cites W2038083805 @default.
- W4210501839 cites W2038425555 @default.
- W4210501839 cites W2043677193 @default.
- W4210501839 cites W2045928328 @default.
- W4210501839 cites W2046412723 @default.
- W4210501839 cites W2048498349 @default.
- W4210501839 cites W2052609044 @default.
- W4210501839 cites W2060820626 @default.
- W4210501839 cites W2061822610 @default.
- W4210501839 cites W2066367938 @default.
- W4210501839 cites W2069011345 @default.
- W4210501839 cites W2079020386 @default.
- W4210501839 cites W2081088376 @default.
- W4210501839 cites W2083347277 @default.
- W4210501839 cites W2085674061 @default.
- W4210501839 cites W2087252627 @default.
- W4210501839 cites W2088183937 @default.
- W4210501839 cites W2093179193 @default.
- W4210501839 cites W2098943363 @default.
- W4210501839 cites W2099960599 @default.
- W4210501839 cites W2103636724 @default.
- W4210501839 cites W2105664277 @default.
- W4210501839 cites W2133949803 @default.
- W4210501839 cites W2140727780 @default.
- W4210501839 cites W2142463571 @default.
- W4210501839 cites W2143981217 @default.
- W4210501839 cites W2151082939 @default.
- W4210501839 cites W2151113244 @default.
- W4210501839 cites W2168877341 @default.
- W4210501839 cites W2295480166 @default.
- W4210501839 cites W2317414542 @default.
- W4210501839 cites W2327495173 @default.
- W4210501839 cites W2343041110 @default.
- W4210501839 cites W239834479 @default.
- W4210501839 cites W2417627965 @default.
- W4210501839 cites W2552705904 @default.
- W4210501839 cites W2561963155 @default.
- W4210501839 cites W2600706316 @default.
- W4210501839 cites W280694366 @default.
- W4210501839 cites W2887891967 @default.
- W4210501839 cites W2907864079 @default.
- W4210501839 cites W2910891967 @default.
- W4210501839 cites W2952316929 @default.
- W4210501839 cites W3004565074 @default.
- W4210501839 cites W3035711514 @default.
- W4210501839 doi "https://doi.org/10.1021/acs.biochem.1c00630" @default.
- W4210501839 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35104120" @default.
- W4210501839 hasPublicationYear "2022" @default.
- W4210501839 type Work @default.
- W4210501839 citedByCount "3" @default.
- W4210501839 countsByYear W42105018392022 @default.
- W4210501839 countsByYear W42105018392023 @default.
- W4210501839 crossrefType "journal-article" @default.
- W4210501839 hasAuthorship W4210501839A5009012685 @default.
- W4210501839 hasAuthorship W4210501839A5021220246 @default.
- W4210501839 hasAuthorship W4210501839A5021445182 @default.
- W4210501839 hasAuthorship W4210501839A5024146725 @default.
- W4210501839 hasAuthorship W4210501839A5025974167 @default.
- W4210501839 hasAuthorship W4210501839A5077241316 @default.
- W4210501839 hasAuthorship W4210501839A5084605269 @default.
- W4210501839 hasConcept C147597530 @default.
- W4210501839 hasConcept C147789679 @default.
- W4210501839 hasConcept C173985810 @default.