Method Transfer Evaluation for Digital Derivative Spectrophotometry Through its Resolution Parameter Comparison of Different Computer Programs
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2020
Authors
Homšek, Ana
Marković, Bojan

Bogavac-Stanojević, Nataša

Vladimirov, Sote
Karljiković-Rajić, Katarina

Article (Published version)

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The application assessment of different programs was performed with equivalence tests for method transfer pro second-order derivative spectrophotometry. The digital second-order derivative spectra were calculated on different instruments; GBC Scientific Equipment Cintra 20 (Cintral v.2.6 and Spectral v.1.70 software programs) and Thermo Scientific Evolution 300 (VISIONPro software) were analyzed using the amplitude A/B ratio (A = 2D265,263; B = 2D263,261). Amplitude A/B ratio is the resolution parameter for derivative spectrophotometry prescribed in European Pharmacopoeia. The obtained values for A/B ratio were either very similar or significantly different among programs: 0.669 (Cintral v.2.6), 0.549 (Spectral v.1.70), 0.556 (medium indirect VISIONPro), 0.557 (one-step Savitzky–Golay 7 VISIONPro), 0.689 (two-step Savitzky–Golay 7 VISIONPro). Method transfer was possible between Spectral v.1.70 and VISIONPro (medium indirect and one-step Savitzky–Golay 7), but the values obtained in Ci...ntral v.2.6 were not comparable to the other programs. The absorbance data exported from both instruments were additionally calculated in OriginPro8 which provided almost the same mean A/B values (0.627 Cintral v.2.6; 0.624 VISIONPro), confirming that the two instruments recorded the same zero-order spectra. The calculation of resolution parameter could be used for verification of program comparison, which would enable transfer between sender and receiver laboratory. The accordance between program algorithms was confirmed when acceptable differences for values of resolution parameter (A/B ratios) were achieved.
Keywords:
Digital derivative spectra / EP / European Pharmacopoeia / amplitude A/B ratio–resolution parameter / equivalence tests / method transfer / program algorithms evaluationSource:
Applied Spectroscopy, 2020, 74, 5, 525-535Publisher:
- SAGE Publications
Funding / projects:
DOI: 10.1177/0003702819889374
ISSN: 0003-7028
PubMed: 32167375
WoS: 000523834400001
Scopus: 2-s2.0-85082715464
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PharmacyTY - JOUR AU - Homšek, Ana AU - Marković, Bojan AU - Bogavac-Stanojević, Nataša AU - Vladimirov, Sote AU - Karljiković-Rajić, Katarina PY - 2020 UR - https://farfar.pharmacy.bg.ac.rs/handle/123456789/4833 AB - The application assessment of different programs was performed with equivalence tests for method transfer pro second-order derivative spectrophotometry. The digital second-order derivative spectra were calculated on different instruments; GBC Scientific Equipment Cintra 20 (Cintral v.2.6 and Spectral v.1.70 software programs) and Thermo Scientific Evolution 300 (VISIONPro software) were analyzed using the amplitude A/B ratio (A = 2D265,263; B = 2D263,261). Amplitude A/B ratio is the resolution parameter for derivative spectrophotometry prescribed in European Pharmacopoeia. The obtained values for A/B ratio were either very similar or significantly different among programs: 0.669 (Cintral v.2.6), 0.549 (Spectral v.1.70), 0.556 (medium indirect VISIONPro), 0.557 (one-step Savitzky–Golay 7 VISIONPro), 0.689 (two-step Savitzky–Golay 7 VISIONPro). Method transfer was possible between Spectral v.1.70 and VISIONPro (medium indirect and one-step Savitzky–Golay 7), but the values obtained in Cintral v.2.6 were not comparable to the other programs. The absorbance data exported from both instruments were additionally calculated in OriginPro8 which provided almost the same mean A/B values (0.627 Cintral v.2.6; 0.624 VISIONPro), confirming that the two instruments recorded the same zero-order spectra. The calculation of resolution parameter could be used for verification of program comparison, which would enable transfer between sender and receiver laboratory. The accordance between program algorithms was confirmed when acceptable differences for values of resolution parameter (A/B ratios) were achieved. PB - SAGE Publications T2 - Applied Spectroscopy T1 - Method Transfer Evaluation for Digital Derivative Spectrophotometry Through its Resolution Parameter Comparison of Different Computer Programs VL - 74 IS - 5 SP - 525 EP - 535 DO - 10.1177/0003702819889374 ER -
@article{ author = "Homšek, Ana and Marković, Bojan and Bogavac-Stanojević, Nataša and Vladimirov, Sote and Karljiković-Rajić, Katarina", year = "2020", abstract = "The application assessment of different programs was performed with equivalence tests for method transfer pro second-order derivative spectrophotometry. The digital second-order derivative spectra were calculated on different instruments; GBC Scientific Equipment Cintra 20 (Cintral v.2.6 and Spectral v.1.70 software programs) and Thermo Scientific Evolution 300 (VISIONPro software) were analyzed using the amplitude A/B ratio (A = 2D265,263; B = 2D263,261). Amplitude A/B ratio is the resolution parameter for derivative spectrophotometry prescribed in European Pharmacopoeia. The obtained values for A/B ratio were either very similar or significantly different among programs: 0.669 (Cintral v.2.6), 0.549 (Spectral v.1.70), 0.556 (medium indirect VISIONPro), 0.557 (one-step Savitzky–Golay 7 VISIONPro), 0.689 (two-step Savitzky–Golay 7 VISIONPro). Method transfer was possible between Spectral v.1.70 and VISIONPro (medium indirect and one-step Savitzky–Golay 7), but the values obtained in Cintral v.2.6 were not comparable to the other programs. The absorbance data exported from both instruments were additionally calculated in OriginPro8 which provided almost the same mean A/B values (0.627 Cintral v.2.6; 0.624 VISIONPro), confirming that the two instruments recorded the same zero-order spectra. The calculation of resolution parameter could be used for verification of program comparison, which would enable transfer between sender and receiver laboratory. The accordance between program algorithms was confirmed when acceptable differences for values of resolution parameter (A/B ratios) were achieved.", publisher = "SAGE Publications", journal = "Applied Spectroscopy", title = "Method Transfer Evaluation for Digital Derivative Spectrophotometry Through its Resolution Parameter Comparison of Different Computer Programs", volume = "74", number = "5", pages = "525-535", doi = "10.1177/0003702819889374" }
Homšek, A., Marković, B., Bogavac-Stanojević, N., Vladimirov, S.,& Karljiković-Rajić, K.. (2020). Method Transfer Evaluation for Digital Derivative Spectrophotometry Through its Resolution Parameter Comparison of Different Computer Programs. in Applied Spectroscopy SAGE Publications., 74(5), 525-535. https://doi.org/10.1177/0003702819889374
Homšek A, Marković B, Bogavac-Stanojević N, Vladimirov S, Karljiković-Rajić K. Method Transfer Evaluation for Digital Derivative Spectrophotometry Through its Resolution Parameter Comparison of Different Computer Programs. in Applied Spectroscopy. 2020;74(5):525-535. doi:10.1177/0003702819889374 .
Homšek, Ana, Marković, Bojan, Bogavac-Stanojević, Nataša, Vladimirov, Sote, Karljiković-Rajić, Katarina, "Method Transfer Evaluation for Digital Derivative Spectrophotometry Through its Resolution Parameter Comparison of Different Computer Programs" in Applied Spectroscopy, 74, no. 5 (2020):525-535, https://doi.org/10.1177/0003702819889374 . .