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. Author manuscript; available in PMC: 2017 Sep 19.
Published in final edited form as: Inorg Chem. 2016 Sep 7;55(18):9297–9305. doi: 10.1021/acs.inorgchem.6b01390

Table 1.

Summary of H4 Chemical Shifts (in ppm) of the SAP and TSAP Isomers (When Observed) in the LnDOTA, LnDOTA–(gly)4, LnDOTMA, and LnDOTMA–(gly)4 Complexesa

Ln3+ DOTA15,16
DOTA–(gly)410,12,15
DOTMA
DOTMA–(gly)4
SAP TSAP SAP TSAP SAP TSAP SAP TSAP
Ce −14 14 12 −24 −13 −20 −9
Pr −28 −30 −51 −33 −43 −25
Nd −26 −12 −16 −27 −13 −22 −8
Sm −6 10 −5 −1 −3 1
Eu 31 10 25 41 20 35 16
Tb −405 −244 −320 −469 −375 −394 −229
Dy −478 −295 −375 −540 −425 −462 −268
Ho −247 −141 −176 −287 −207 −229 −111
Er 150 113 274 215 154 59
Tm 468 366 243 622 491 337 180
Yb 154 86 99 166 96 122 54
a

The chemical shifts were measured in D2O, 298 K, pD = 7, except the 1H spectrum of HoDOTA–(gly)4 that was measured in H2O.