Table 1.

Comparisons between Gd-DOTA and Gd-DTPA-BMA

(physical-chemical and thermodynamic characteristics
Complex.
Gd-DOTA Gd-DTPA-BMA

 Macrocyclic.  Open Chain.

 Ionic.  Nonionic.
 Strong Bound.  Weak Bound.
 Lower amount of residual Gd in  Higher amount of residual Gd in
the body. the body.
 Less basic.  More basic.
 Kinect stability is higher.  Kinect stability is lower.
 No Free ligand added.  Has a ligand (Formulation).
 Dissociation half-lives are  Dissociation half-lives are shorter.
markedly longer.  Lower thermodynamic constant (
 Higher thermodynamic constant ( log K yherm ).
log K yherm ).  The complex is more instable
 The complex is more stable than than the radicals are.
the radicals are.  This complex has less of the five-
 This complex has more of the membered rings (six).
five-membered rings (eight).
(n)= are the reference, but I don’t know if you prefer it in the chart or only the number The empty
spaces, without (-), still there, because I am searching for it in the original papers, from they were
referenced (but it is a little bit complicate).

Table 2. Comparisons of stability constants of Gd-DOTA.

(PM= 557.638 g/mol)(10)
Gadolinium species Value (in pH T Medium C
β=( X ) , K =(Y )¿ (°C) (mol L-1)
1. Gd- DOTA(6) 24.03 (X) −¿ 25 Me4NCl 0.1
(12)
2. Gd-DOTA 24.70 (Y) −¿ NaCl 0.15
(5)
3. Gd-DOTA 25.60 (Y) 7.4 0.5
(6)
4.1 Gd-DOTA 24.67 (X) −¿ 25 Me4NCl 0.1
4.2 Gd-DOTA(7) 24.70 (X) −¿ 25 Me4NCl 0.1
(7)
4.3 Gd-DOTA 24.00 (X) −¿ 25 Me4NCl 0.1
(7)
4.4 Gd-DOTA 25.40 (X) −¿ 25 Me4NCl 0.1
4.5 Gd-DOTA(7) 27.00 (X) −¿ 25 NMe4NO3 0.1
4.6 Gd-DOTA(7) 25.30 (X) −¿ 25 NaCl 0.1
(7)
4.7 Gd-DOTA 25.10 (X) −¿ 25 NaCl 0.1
(7)
4.8 Gd-DOTA 26.03 (X) −¿ 25 KCl 0.1
4.9 Gd-DOTA(7) 25.58 −¿ 25 Me4NCl 0.1
4.10 Gd-DOTA(7) 24.99 −¿ 25 Me4NCl 0.1
(3)
5. Gd-DOTA 25.00 (Y) −¿ 25
 Table 3. Comparisons of stability constants of Gd-DTPA-BMA.
(PM= 591.672 g/mol)(9)
Gadolinium species Value pH T Medium C
Log K (°C) (mol L-1)

1. Gd-DTPA-BMA(5) 16.9 7.4 0.5

2. Gd-DTPA-BMA(13) 16.85 −¿ 25 Me4NCl 0.1
3. Gd-DTPA-BMA(3) 16.6 −¿ −¿ −¿ −¿
4. Gd-DTPA-BMA(3) 16.8 −¿ −¿ −¿ −¿
5. Gd-DTPA-BMA(4) 16.85 7.4 25 KCl 0.1
6.1 Gd-DTPA-BMA(1) 16.64 −¿ 25 NaCl 0.15
6.2 Gd DTPA-BMA(1) 16.85 −¿ 25 NaCl 0.15

Table 4. Comparisons of stability constants of Ca(II), Zn(II), Cu(II) and Mg(II) with
the ligand DTPA-BMA.
Element and ligand Value pH T Medium C
Log K (°C) (mol L-1)

1. Ca-DTPA-BMA(4) 7.17 −¿ 25 NaCl 0.1

2. Ca-DTPA-BMA −¿
3. ZnC--DTPA-BMA(4) 12.04 −¿ 25 NaCl 0.1
4. Zn--DTPA-BMA(1) 12.42 −¿ 25 NaCl 0.15
5. Cu-DTPA-BMA(4) 13.03 −¿ 25 NaCl 0.1
6. Cu-DTPA-BMA(1) 16.30 −¿ 25 NaCl 0.15

Equations:
M
β111= is a reported value in charts.
Keff= is a value you may have to calculate.
M
β112= is a reported value in charts
It is also worth mentioning that the equations only mention the final products, not the
intermediaries.

)(Mβ111) (Gd(H 2 O)38+¿+L ⇌ GdL(H ¿¿2 O)+7 H O ¿ ¿)

−¿ ¿
4−¿⇋ GdHL

Equation of Gd+DOTA (Gd3 +¿+H L

¿
¿ 2

1.- G d 3+¿+¿¿

PM=157.25 mol L-1 PM=400.388 mol L-1 PM= 557.638 mol L-1
2.- G d ( H 2 O)3+¿+¿
8
¿

PM= 175.265 mol L-1 PM=400.388 mol L-1 PM= 575.653 mol L-1 PM= 126.105mol L-1

2.- K eff =[ GdL ] ¿¿ ¿

3−¿⇋Gd H2 L ¿

Equation of Gd+DTPA+BMA (Gd3 +¿+H L 2 ¿

)(Mβ112)

3.- G d 3+¿+¿¿
PM=157.25 mol L-1 PM= 415.403 mol L-1 PM= 572.653 mol L-1

Chemical structures:
I made these two structures, I also have it in 3D, but I want to show you, so you may
choose the best position for it.
Scheme 1. Gd-DTPA-BMA (2D).
 O

N
HN NH
N N
Gd
O O

O O O O
H2O

Scheme 2. Gd-DTPA-BMA (3D).

Scheme 3. Gd-DOTA- (2D).

-*
OH2

O
O
O

N N O

Gd
O
N N

O
O

Scheme 4. Gd-DOTA (3D).

Chemical reactions.
DOTA(7).
Part one:

OH2 +**
O O O
O
O H2O O
Gd + NH N OH
fast
HO
N NH OH2 NH N O
O Gd
O
O N
O NH
H2O
O
O
OH2 O

Part two:
 +** OH2 +* +*
OH2 OH2
O (H)
O O H 2O O H2O O
O O O H2O O
H
OH2 NH N O Slow N N O Slow N N O
Gd Gd Gd
O O O
N NH N N N N
H 2O
O O H O
OH2 O OH2 O OH2 O
O O O
(H)

+ 2 H+
-
+2H
+ 2 OH- fast

OH2 -*

O O H2O O

N N O
Gd
O
N N
O
OH2 O
O

Part three.

OH2 -*
OH2 -*
O O O
H2O O O O

+2H+ N N O
slow N N O
Gd Gd
O O
N N N N
O O
OH2 O O
O O

DTPA-BMA(11).
Part one.
O O O O

NH4OH H2N C CH2 H+ CH2 C

C CH2 H+ CH2 C

O N H2C H2C N CH2 CH2 N

O
+ NH4OH
Gd +3
N H2C H2C N CH2 CH2 N + H2 O

-
C CH2 CH2 C O CH2 C O C CH2 CH2 C O- CH2 C O-

O O O O O O

References
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