QUANTITATIVE RELATIONSHIPS BETWEEN CONTACT ANGLE OF PHARMACEUTICAL POWDERS AND COMPUTABLE MOLECULAR DESCRIPTORS

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GHAFOURIAN T.; ABADI KHAH P.

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Journal: PHARMACEUTICAL SCIENCES Year:2000 | Volume:- | Issue:3 Page(s): 69-77

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Information Journal Paper

Title

QUANTITATIVE RELATIONSHIPS BETWEEN CONTACT ANGLE OF PHARMACEUTICAL POWDERS AND COMPUTABLE MOLECULAR DESCRIPTORS

Author(s)

GHAFOURIAN T. | ABADI KHAH P. | Issue Writer Certificate

Keywords

WETTINGQ3

CONTACT ANGLEQ3

COMPUTATIONAL CHEMISTRYQ3

SURFACE ENERGYQ3

QSPRQ3

Abstract

wettability of pharmaceutical powders is an important controlling factor in preparation of dispersed systems, coating and dissolution rates. This investigation is attempted to find quantitative relationships between wettability of pharmaceutical powders and chemical structure descriptors. The resulting equations (QSPRs) indicate the structural characteristics determining the wettability and they are predictive of wettability of other compounds. Structural parameters were determined mainly by theoretical chemistry software’s and also using group contributions. Statistical analyses showed that the most significant parameters controlling CONTACT ANGLEs of different series of pharmaceutical powders were the highest atomic charge on the hydrogen bonding hydrogens and the nucleophilic superdelocalizability index. The other parameters of importance included the energy of vaporization, number of oxygen or nitrogen atoms, reentrant accessible surface area, the most negative atomic charge on heteroatom’s of a molecule, number of hydrogen bonding hydrogens and solubility parameter. The barbiturates and sulfonamides were also analyzed separately resulting in statistically better equations in case of sulfonamides.

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APA: Copy

GHAFOURIAN, T., & ABADI KHAH, P.. (2000). QUANTITATIVE RELATIONSHIPS BETWEEN CONTACT ANGLE OF PHARMACEUTICAL POWDERS AND COMPUTABLE MOLECULAR DESCRIPTORS. PHARMACEUTICAL SCIENCES, -(3), 69-77. SID. https://sid.ir/paper/48518/en

Vancouver: Copy

GHAFOURIAN T., ABADI KHAH P.. QUANTITATIVE RELATIONSHIPS BETWEEN CONTACT ANGLE OF PHARMACEUTICAL POWDERS AND COMPUTABLE MOLECULAR DESCRIPTORS. PHARMACEUTICAL SCIENCES[Internet]. 2000;-(3):69-77. Available from: https://sid.ir/paper/48518/en

IEEE: Copy

T. GHAFOURIAN, and P. ABADI KHAH, “QUANTITATIVE RELATIONSHIPS BETWEEN CONTACT ANGLE OF PHARMACEUTICAL POWDERS AND COMPUTABLE MOLECULAR DESCRIPTORS,” PHARMACEUTICAL SCIENCES, vol. -, no. 3, pp. 69–77, 2000, [Online]. Available: https://sid.ir/paper/48518/en

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