Table 5 Comparison between predicted activity coefficient by COSMO-RS and experimental yields of marker compounds in the studied NADES.

From: COSMO-RS prediction and validation of gingerol and shogaol extraction from Zingiber officinale var. rubrum using natural deep eutectic solvents

NADES

6-gingerol

8-gingerol

6-shogaol

10-gingerol

Substances content mg/g

Activity coefficient by COSMO-RS

Substances content mg/g

Activity coefficient by COSMO-RS

Substances content mg/g

Activity coefficient by COSMO-RS

Substances content mg/g

Activity coefficient by COSMO-RS

ChCl: CiA (1:1)

3.4851

2.63986

0.6600

4.0029

0.6600

6.3699

0.0870

6.39582

ChCl: MaA (1:1)

4.6281

0.9116

0.8790

1.1247

0.8340

1.397

1.0098

0.9398

ChCl: LaA (1:1)

6.0030

1.18684

1.3872

1.1247

0.9660

1.6328

1.2795

1.1708

ChCl: TaA (1:1)

3.1848

3.32148

0.4830

5.0236

0.6600

7.9609

1.4958

3.225

ChCl: OxA (1:1)

4.5222

2.4906

0.8790

5.2361

1.0110

6.9609

1.1430

2.225

Be: CiA (1:2)

6.4140

1.204

1.5846

6.1395

1.1079

4.95471

1.0389

3.62

Be: MaA (1:1)

7.5084

0.9184

1.6749

1.31179

0.8499

1.6827

1.1508

1.0277

Be: LaA (1:2)*

9.8142

1.0366

2.1564

1.293

1.1529

1.6691

1.9647

1.1422

Be: TaA (1:1)

6.4128

4.62695

1.0560

7.64392

1.0110

12.945

0.8790

4.4867

Be: OxA (1:1)

3.0699

1.62267

0.2895

2.24794

1.1871

3.1757

1.0560

1.5534

LCa: CiA (1:1)

0.2045

4.26264

0.7629

7.0111

0.2606

12.0425

0.5360

4.152

LCa: MaA (1:1)

0.4558

1.53648

0.9155

2.01271

0.3686

2.71146

0.6095

1.4964

LCa: LaA (1:1)

0.4401

1.43279

0.9443

1.9848

0.3855

2.3147

0.6002

1.4014

  1. *Best NADES combination for the extraction of gingerol and shogaol from red ginger.
Back to article page