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Table 3 Data on the analytical methods reported based on AQbD

From: Assessment of computational approaches in the prediction of spectrogram and chromatogram behaviours of analytes in pharmaceutical analysis: assessment review

S. No

Drug

DoE tool

MODR

tR

Column

Mobile phase

% RSD (precision range)

% Recovery (accuracy range)

References

1

Venetoclax

Full factorial design (2 factors)

FR: 0.3–0.4

CT: 40–55 °C

pH: 6–8

ACN%: ± 3.8%

7.39

C18 (150 mm, × 2.1 mm, 1.7 μ)

5:95% (ammonium bicarbonate in acetic acid and ACN), pH:7.0

0.71–1.11

99.09–100.68%

[190]

2

Valsartan

Box–Behnken design (3 factors)

FR:1.0

CT: 30–40 °C

pH: 3.0–3.5

6.70

ODS C18 column (4.6 × 250 mm, 5 μ)

65:35% (ACN and 0.01 M acetic acid), pH: 3.2

0.068–0.943

99.7–100.9%

[191]

3

Canagliflozin

Factorial design

(3 factors)

FR: 1.5

CT: 30–35 °C

pH: 3.0–3.5

3.72

C18, (250 mm × 4.6 mm, 5 µ)

50:50% (ACN and 0.1% phosphoric acid); pH: 3.0

0.413–0.440

99.08–99.52%

[192]

4

Etofenamate

Central composite design (3 factors)

FR: 0.8–1.2

pH: 5–7

AQ: 5–25

5.30

C18 (250 × 4.6 mm, 5 μ)

85:15% v/v (methanol and 0.2% TEA in water) pH: 3.0

0.63–0.87

99.6–101.3%

[193]

5

Olanzapine

Rechtschaffen design (4 factors)

FR: 1.5

CT: 40–45 °C

pH: 3.0

ACN: ± 5.3

12.0

Diol (100 × 4.6 mm, 5 μ)

10:90% v/v

(ammonium formate 20 mmol L−1 in 10% ACN and Pure ACN) pH: 3.0

Olz: 1.78

Impurity: 5.9–20.6%

Olz: 100.2%

Impurity 1 to 7:107.3–117.9%

[194]

6

Acyclovir and Hydrocortisone

Factorial design (3 factors)

FR: 0.6–1.4

pH: 3.0–7.0

AQ%: 30–70

ACY: 3.49

HYD: 9.18

C18, (250 × 4.6 mm, 5 μ)

50:50% (methanol and water); pH: 6.0

0.63–1.01

98.79–101.41%

[195]

7

Etizolam and propranolol hydrochloride

Central composite design (3 factors)

FR: 0.9–1.1

pH: 3–4

AQ%: 30–35

PRO: 3.6

ETZ: 8.2

C18, (250 × 4.6 mm, 5 μ)

30:70%v/v (0.15% TEA and methanol)

pH: 3.5

PRO: 1.02–1.3

ETZ: 0.94–1.4

PRO: 98.8–101.3%

ETZ: 98.9–100.5%

[196]

8

Ceftriaxone Sodium

Two-factor and three-level factorial

FR: 1.0

CT:25 °C

pH = 5.5–7.5

ACN%: 65–75

AQ%: 25–35

4.15

ODS C18 (250 × 4.6 mm, 5.0 μ)

70:30% v/v (ACN and water (0.01% TEA) pH: 6.5

Interday: 0.55–0.95

Intraday: 0.70–0.94

99.70–101.19%

[15]

9

Telmisartan Hydrochlorothiazide

Three-level factorial design

FR: 0.8–1.2

CT: 30–50 °C

pH = 2.5–3.5

ACN%: 65–75

AQ%: 25–35

TMS: 31.18

HCZ: 9.11

ODS, (150 × 4.6 mm, 3.5 µ)

85:15% v/v (20 mM PDOP and water, ACN in the ratio of 100:900)

pH: 3.5

 < 2%

105.9–109.4%

[197]

10

Eberconazole nitrate

Full factorial design (3 factors)

FR:1.0–1.2

TBAH: 5–10 mM

pH = 2.6–3.2

The organic phase (%v/v): 20–30

7.05

C18 (250 × 4.6 mm, 5 µ)

25:75%, v/v (methanol–PDOP, 10 mM and TBAH10 mM) pH: 2.8

Interday: 1.66–1.72

Intraday: 1.13–1.16

100.02–100.05%

[198]

11

Cyanidin-3-O-glucoside

Box–Behnken design

FR: 0.8–1.0

CT: 35–45 °C

λ: 510–530 nm

Mobile phase A:15–19%;

B:81–85%

14.36

C18 (250 × 4.6 mm, 5 µ)

15:85% v/v (Methanol, acetonitrile in the ratio 3:1and 5% formic acid)

Interday: 0.02–0.03

Intraday: 0.01–0.02

97–102%

[199]

12

Quercetin Dihydrate

Fractional factorial design

FR: 0.7–1

Inj. vol: 10–20

CT: 25—40 Buffer: 30–50 mM

3.14

C18 (250 × 4.6 mm, 5 µ)

35:65% v/v (ACN and Ammonium acetate buffer (0.1% v/v acetic acid))

pH: 3.5

Interday: 0.030–0.093

Intraday: 0.039–0.068

99.8–100.4%

[200]

13

Atorvastatin

Box–Behnken statistical design

FR: 0.35–1.0

ACN%: 50–90

λ: 235–240 nm

2.43

C18 (250 × 4.6 mm, 2.2 µ)

50: 50% v/v (ACN and Water)

pH: 3.5

Interday: 1.25–2.71

Intraday: 1.79–2.70

98.66–99.84%

[201]

  1. FR Flow rate, CT Column temperature, AQ Aqueous, ACN Acetonitrile, RSD Relative standard deviation, TBAH Tetrabutylammonium hydroxide, PDOP Potassium dihydrogen orthophosphate, TEA Triethylamine