FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2593025669> ?p ?o ?g. }

• W2593025669 endingPage "17" @default.
• W2593025669 startingPage "8" @default.
• W2593025669 abstract "Typically, the process of NMR-based structure determination relies on accurately measuring a large number of internuclear distances to serve as restraints for simulated annealing calculations. In solids, the rotational-echo double-resonance (REDOR) experiment is a widely used approach to determine heteronuclear dipolar couplings corresponding to distances usually in the range of 1.5–8 Å. A challenge in the interpretation of REDOR data is the degeneracy of symmetric subunits in an oligomer or equivalent molecules in a crystal lattice, which produce REDOR trajectories that depend explicitly on two or more distances instead of one. This degeneracy cannot be overcome by either spin dilution (for molecules containing 31P, 19F and other highly abundant nuclei) or selective pulses (in the case where there is chemical shift degeneracy). For small, crystalline molecules, such as phosphoserine, we demonstrate that as many as five inter-molecular distances must be considered to model 31P-dephased REDOR data accurately. We report excellent agreement between simulation and experiment once lattice couplings, 31P chemical shift anisotropy, and radio-frequency field inhomogeneity are all taken into account. We also discuss the systematic inaccuracies that may result from approximations that consider only the initial slope of the REDOR trajectory and/or that utilize a two- or three-spin system. Furthermore, we demonstrate the applicability of 31P-dephased REDOR for validation or refinement of candidate crystal structures and show that this approach is especially informative for NMR crystallography of 31P-containing molecules." @default.
• W2593025669 created "2017-03-16" @default.
• W2593025669 creator A5017276788 @default.
• W2593025669 creator A5033739602 @default.
• W2593025669 creator A5078783119 @default.
• W2593025669 date "2017-05-01" @default.
• W2593025669 modified "2023-10-17" @default.
• W2593025669 title "31 P-dephased, 13 C-detected REDOR for NMR crystallography at natural isotopic abundance" @default.
• W2593025669 cites W1964963882 @default.
• W2593025669 cites W1966235885 @default.
• W2593025669 cites W1966482878 @default.
• W2593025669 cites W1966910457 @default.
• W2593025669 cites W1967813584 @default.
• W2593025669 cites W1970916270 @default.
• W2593025669 cites W1976320200 @default.
• W2593025669 cites W1979002358 @default.
• W2593025669 cites W1981345700 @default.
• W2593025669 cites W1985170558 @default.
• W2593025669 cites W1990099198 @default.
• W2593025669 cites W1995662671 @default.
• W2593025669 cites W1997229649 @default.
• W2593025669 cites W1999732134 @default.
• W2593025669 cites W2004024341 @default.
• W2593025669 cites W2005336664 @default.
• W2593025669 cites W2006726127 @default.
• W2593025669 cites W2007955940 @default.
• W2593025669 cites W2013150043 @default.
• W2593025669 cites W2016234012 @default.
• W2593025669 cites W2016979370 @default.
• W2593025669 cites W2019462311 @default.
• W2593025669 cites W2021882008 @default.
• W2593025669 cites W2023218382 @default.
• W2593025669 cites W2023738724 @default.
• W2593025669 cites W2026771535 @default.
• W2593025669 cites W2026802356 @default.
• W2593025669 cites W2026978960 @default.
• W2593025669 cites W2028056984 @default.
• W2593025669 cites W2035305575 @default.
• W2593025669 cites W2036470281 @default.
• W2593025669 cites W2036624867 @default.
• W2593025669 cites W2037807603 @default.
• W2593025669 cites W2037844642 @default.
• W2593025669 cites W2038399334 @default.
• W2593025669 cites W2039613016 @default.
• W2593025669 cites W2039711569 @default.
• W2593025669 cites W2043936787 @default.
• W2593025669 cites W2046608743 @default.
• W2593025669 cites W2047225751 @default.
• W2593025669 cites W2049403541 @default.
• W2593025669 cites W2055516309 @default.
• W2593025669 cites W2055665403 @default.
• W2593025669 cites W2057579346 @default.
• W2593025669 cites W2063404572 @default.
• W2593025669 cites W2063661187 @default.
• W2593025669 cites W2064637985 @default.
• W2593025669 cites W2065435356 @default.
• W2593025669 cites W2068425063 @default.
• W2593025669 cites W2070059498 @default.
• W2593025669 cites W2073020430 @default.
• W2593025669 cites W2076406068 @default.
• W2593025669 cites W2083942870 @default.
• W2593025669 cites W2084064628 @default.
• W2593025669 cites W2084636590 @default.
• W2593025669 cites W2085647989 @default.
• W2593025669 cites W2086565576 @default.
• W2593025669 cites W2089328313 @default.
• W2593025669 cites W2090775504 @default.
• W2593025669 cites W2096331217 @default.
• W2593025669 cites W2107746113 @default.
• W2593025669 cites W2112075132 @default.
• W2593025669 cites W2115311713 @default.
• W2593025669 cites W2117406466 @default.
• W2593025669 cites W2121806344 @default.
• W2593025669 cites W2122716497 @default.
• W2593025669 cites W2143434019 @default.
• W2593025669 cites W2156835500 @default.
• W2593025669 cites W2160679445 @default.
• W2593025669 cites W2165468028 @default.
• W2593025669 cites W2167651854 @default.
• W2593025669 cites W2168752554 @default.
• W2593025669 cites W2169821755 @default.
• W2593025669 cites W2208194134 @default.
• W2593025669 cites W2333129245 @default.
• W2593025669 cites W2482115826 @default.
• W2593025669 cites W4235261249 @default.
• W2593025669 cites W4362225795 @default.
• W2593025669 doi "https://doi.org/10.1016/j.jmr.2017.02.020" @default.
• W2593025669 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/5478420" @default.
• W2593025669 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/28319851" @default.
• W2593025669 hasPublicationYear "2017" @default.
• W2593025669 type Work @default.
• W2593025669 sameAs 2593025669 @default.
• W2593025669 citedByCount "8" @default.
• W2593025669 countsByYear W25930256692018 @default.
• W2593025669 countsByYear W25930256692020 @default.
• W2593025669 countsByYear W25930256692021 @default.
• W2593025669 countsByYear W25930256692023 @default.
• W2593025669 crossrefType "journal-article" @default.

• next