DOI: 10.5281/zenodo.10888591
title: Dataset : Boosting 1H and 13C NMR signals by orders of magnitude on a bench

description: Spectroscopic Data DNP 1T 77K

1H DNP Juice with TEMPOL at 50mM

Sample : 6/2/2 DMSO-d6/H2O/D2O 200µL

Topspin Folder : 20231102_HDNPjuice_50mM_CB

Note : no phc1 in the data processing not to affect the integral as we have a broad signal



TE : 100 / 200 / 300



substraction of the 100 TE and 1000 BG with Topspin —> exp 1

For 200 w BG1000 —> exp 2 proc 999

For 300 w BG1000 —> exp 3 proc 999





DNP : 105 / 205 / 305



MW 28,16 GHz ± 20 MHz @ 60 kHz

E 105 (comp to 2) : 110

E 205 (comp to 3) : 97

E 305 (comp to 4) : 95





T build up with satrec : 206



28,18 GHz no fmod



  General model:

     val(t) = a*(1-exp(-(t)/T)+d)

     Coefficients (with 95% confidence bounds):

       T =      0.5164  (0.4523, 0.5805)

       a =      0.7312  (0.6996, 0.7628)

       d =      0.3518  (0.3163, 0.3873)



T1 : 207



satrec experiment at TE

General model:

     val(t) = a*(1-exp(-(t)/T)+d)

    Coefficients (with 95% confidence bounds):

       T =      0.5067  (0.4584, 0.555)

        a =      0.7826  (0.7567, 0.8085)

        d =      0.2713  (0.2458, 0.2967)
description: 1H HYPSO NL-104A at 43 µmol/cm3 of TEMPOL

Sample : 8/2 D2O/H2O 46,4µL impregnated in 73,7 mg HYPSO

Topspin Folder : 20231116_1H_HYPSO_43



TE :  10



for quantification (proc 997 of exp1) : subtracted from background 1000 (with lb 1000Hz)

for plot 10 (proc 998 exp 1 phased 0)





DNP : 105



MW 28,17 GHz ± 20 MHz with frequency modulation @ 60kHz

E = 62 (comp to proc 997 and with lb 1000 Hz)


T build up with satrec : 106

T1 : 107






satrec experiment at TE







General model:



  val(t) = a*(1-exp(-(t)/T)+d)

    Coefficients (with 95% confidence bounds):

      T =      0.8797  (0.6137, 1.146) ± 0,27

      a =       0.828  (0.7287, 0.9273)

        d =       0.208  (0.1427, 0.2732)
description: 13C HYPSO NL-104A at 43 µmol/cm3 of TEMPOL

Sample : 8/2 D2O/H2O + 3.00M acetate 42 µL impregnated in 66.6 mg of HYPSO

Topspin Folder : 20240205_13C_Acetate



CP-DNP : 



without flipback 405 at 28,35 GHz 



T CP build up :



General model:



val(t) = a*(1-exp(-(t)/T)+d)

Coefficients (with 95% confidence bounds):

T =      0.8274  (0.7077, 0.9471)

a =      0.9999  (0.9465, 1.053)

d =   -0.004187  (-0.03447, 0.0261)



with 403 MW 28,32 GHz w freq mod 

with satrec, flipback and echo

from -2280 to -2550 ppm






13C DNP buildup / T1 : 408



delay incremented after CP

delay from until 60 s

at 28,35 GHz w freq mod

From 6592 to 6360 ppm



General model:

    val(t) = a*(exp(-(t)/T)+d)

     Coefficients (with 95% confidence bounds):

      T =       18.26  (16.55, 19.98)

       a =       1.008  (0.9698, 1.046)

       d =    -0.01884  (-0.05639, 0.0187)
description: 13C DNP Juice with TEMPOL at 50mM

Sample : 6/2/2 DMSO-d6/H2O/D2O + 3M Sodium Acetate and 50mM TEMPOL

Topspin folder : 20240205_13C_Acetate and 20240122_13C_HYPSO_2 (for CP build up)

Data folder path :



Direct 13C DNP : 301



MW 28,17 GHz w freq mod

without echo is 300



CP-DNP :



without flipback 205 (8NS) @ 28,15 GHz —> E = comp to 209



Direct 13C DNP T build up : 305



using satrec under DNP until 50 s

12 s

at 28,22 GHz w freq mod

from -2800 ppm. to -3050 ppm




General model:

     val(t) = a*(1-exp(-(t)/T)+d)

    Coefficients (with 95% confidence bounds):

       T =       12.18  (10.43, 13.94)

        a =       1.083  (1.02, 1.147)

        d =    -0.04458  (-0.07104, -0.01813)



T1 13C : 211



delay incremented after CP

delay from until 50 s

at 28,22 GHz w freq mod

From 5880 to 5620 ppm



General model:

     val(t) = a*(exp(-(t)/T)+d)

     Coefficients (with 95% confidence bounds):

       T =       12.03  (10.3, 13.76)

       a =       1.399  (1.318, 1.481)

       d =      -0.284  (-0.3274, -0.2406)



CP DNP build up : 202 (wit DNP juice !! wrong title. But wrong sample positioning this day)



MW 28,16 GHz w freq mod

from -8660 to -8900 ppm




General model:

     val(t) = a*(1-exp(-(t)/T)+d)

     Coefficients (with 95% confidence bounds):

       T =      0.6656  (0.6019, 0.7294)

       a =      0.9957  (0.962, 1.029)

       d =    -0.01011  (-0.03077, 0.01056)