Quantitation of the area of overlap between second-derivative amide I infrared spectra to determine the structural similarity of a protein in different states.


:Maintaining a native-like structure of protein pharmaceuticals during lyophilization is an important aspect of formulation. Infrared spectroscopy can be used to evaluate the effectiveness of formulations in protecting the secondary structural integrity of proteins in the dried solid. This necessitates making quantitative comparisons of the overall similarity of infrared spectra in the conformationally sensitive amide I region. We initially used the correlation coefficient r, as defined by Prestrelski et al. (Biophys. J. 1993, 65, 661-671), for this quantitation. Occasionally, we noticed that the r value did not agree with a visual assessment of the spectral similarity. In some cases this was due to an offset in baselines, which led artifactually to an unreasonably low r value. Conversely, if the spectra were baseline corrected and there existed a large similarity between peak positions, but differences in relative peak heights, the r value would be unreasonably high. Our approach to avoiding these problems is to use area-normalized second-derivative spectra. We have found that quantitating the area of overlap between area-normalized spectra provides a reliable, objective method to compare overall spectral similarity. In the current report, we demonstrate this method with selected protein spectra, which were taken from experiments where unfolding was induced by lyophilization or guanidine hydrochloride, and artificial data sets. With this analysis, we document how problems associated with calculation of the correlation coefficient, r, are avoided.


J Pharm Sci


Kendrick BS,Dong A,Allison SD,Manning MC,Carpenter JF




Has Abstract


1996-02-01 00:00:00














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    journal_title:Journal of pharmaceutical sciences

    pub_type: 杂志文章


    authors: Hussain A,Kulkarni P,Perrier D

    更新日期:1978-04-01 00:00:00

  • Fluoride remineralization of demineralized bovine tooth enamel and hydroxyapatite pellets.

    abstract::Both bovine enamel and hydroxyapatite pellets were remineralized in a fluoride-containing remineralization solution after prior demineralization for various lengths of time. In both the enamel and pellet systems, the degree of remineralization attainable was directly related to the extent of prior demineralization, al...

    journal_title:Journal of pharmaceutical sciences

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    authors: Yonese M,Fox JL,Nambu N,Hefferren JJ,Higuchi WI

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  • Solid-Phase and Oscillating Solution Crystallization Behavior of (+)- and (-)-N-Methylephedrine.

    abstract::This work involves the study of the solid-phase and solution crystallization behavior of the N-methylephedrine enantiomers. A systematic investigation of the melt phase diagram of the enantiomeric N-methylephedrine system was performed considering polymorphism. Two monotropically related modifications of the enantiome...

    journal_title:Journal of pharmaceutical sciences

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    authors: Tulashie SK,Polenske D,Seidel-Morgenstern A,Lorenz H

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    journal_title:Journal of pharmaceutical sciences

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    authors: Laakso T,Sjöholm I

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  • Disintegrating force as a new formulation parameter.

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    journal_title:Journal of pharmaceutical sciences

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    authors: Colombo P,Conte U,Caramella C,Geddo M,La Manna A

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  • Quantitative determinations of phenol and resorcinol in pharmaceutical dosage forms by high-pressure liquid chromatography.

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    journal_title:Journal of pharmaceutical sciences

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    authors: Das Gupta V

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    journal_title:Journal of pharmaceutical sciences

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    authors: Bideault G,Scaccia A,Zahel T,Forero RL,Daluwatte C

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    authors: Johnson JA

    更新日期:1997-12-01 00:00:00

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  • Cholesterol-mediated activation of P-glycoprotein: distinct effects on basal and drug-induced ATPase activities.

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    journal_title:Journal of pharmaceutical sciences

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    authors: Jacob P 3rd,Benowitz NL,Copeland JR,Risner ME,Cone EJ

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  • Enantiotropically-related polymorphs of {4-(4-chloro-3-fluorophenyl)-2-[4-(methyloxy)phenyl]-1,3-thiazol-5-yl} acetic acid: crystal structures and multinuclear solid-state NMR.

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    authors: Ganjian F,Cutie AJ,Jochsberger T

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    journal_title:Journal of pharmaceutical sciences

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    journal_title:Journal of pharmaceutical sciences

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    authors: Bernardo FP,Saraiva PM

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    journal_title:Journal of pharmaceutical sciences

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    authors: Galtier P,Larrieu G,Franc M

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    authors: Xu Y,Jia Y,Wang Z,Wang Z

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    journal_title:Journal of pharmaceutical sciences

    pub_type: 杂志文章


    authors: Loftsson T,Bodor N

    更新日期:1981-07-01 00:00:00