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- W2979582066 abstract "The molecular mobility of an amorphous active pharmaceutical ingredient, terfenadine, was carefully investigated by dielectric relaxation spectroscopy and molecular dynamics simulation for the first time. Comprehensive characterization on a wide frequency (10-2 to 109 Hz) and temperature (300 K) range highlights the fragile nature of this good glass-former (m = 112) and the relatively large nonexponentiality of the main relaxation (βKWW = 0.53 ± 0.01). In the glassy state, a particularly broad secondary relaxation of intramolecular origin is evidenced. Terfenadine is a flexible molecule, and from molecular dynamics simulation, a clear link is established between the flexibility of the central part of the molecule (carrying, on the one side, the nitrogen group, and on the other side, the OH group) and the distribution of dipole moments, which explains that broadness. Terfenadine is one of the very few cases for which the molecular mobility of the glass obtained by the quench of the melt or by milling can be compared. From the present study, no major difference in terms of molecular mobility is found between these two glasses. However, terfenadine amorphized by milling (for 1-20 h) clearly shows a lower stability than the quenched liquid as we observed its recrystallization upon heating. Interestingly, it is shown that this recrystallization upon heating is not complete and that the 1-2% of the remaining amorphous phase has an original behavior. Indeed, it exhibits an enhanced main mobility induced by an autoconfinement effect created by the surrounding crystalline phase." @default.
- W2979582066 created "2019-10-18" @default.
- W2979582066 creator A5024834236 @default.
- W2979582066 creator A5075817904 @default.
- W2979582066 creator A5076879341 @default.
- W2979582066 date "2019-10-07" @default.
- W2979582066 modified "2023-10-18" @default.
- W2979582066 title "Molecular Mobility of Terfenadine: Investigation by Dielectric Relaxation Spectroscopy and Molecular Dynamics Simulation" @default.
- W2979582066 cites W102036253 @default.
- W2979582066 cites W1498305210 @default.
- W2979582066 cites W1590254871 @default.
- W2979582066 cites W1633943536 @default.
- W2979582066 cites W1636787203 @default.
- W2979582066 cites W1864987311 @default.
- W2979582066 cites W1944915281 @default.
- W2979582066 cites W1964981159 @default.
- W2979582066 cites W1965150214 @default.
- W2979582066 cites W1967303178 @default.
- W2979582066 cites W1969808703 @default.
- W2979582066 cites W1972376417 @default.
- W2979582066 cites W1974586971 @default.
- W2979582066 cites W1977059887 @default.
- W2979582066 cites W1978110293 @default.
- W2979582066 cites W1978365673 @default.
- W2979582066 cites W1978366058 @default.
- W2979582066 cites W1983968433 @default.
- W2979582066 cites W1983998946 @default.
- W2979582066 cites W1984519826 @default.
- W2979582066 cites W1985447808 @default.
- W2979582066 cites W1987543784 @default.
- W2979582066 cites W1990140100 @default.
- W2979582066 cites W1992755218 @default.
- W2979582066 cites W1994317916 @default.
- W2979582066 cites W1994893251 @default.
- W2979582066 cites W2000216463 @default.
- W2979582066 cites W2000596373 @default.
- W2979582066 cites W2014874223 @default.
- W2979582066 cites W2017266105 @default.
- W2979582066 cites W2019453149 @default.
- W2979582066 cites W2027628945 @default.
- W2979582066 cites W2028808900 @default.
- W2979582066 cites W2029846748 @default.
- W2979582066 cites W2031658449 @default.
- W2979582066 cites W2032268755 @default.
- W2979582066 cites W2033721241 @default.
- W2979582066 cites W2034151509 @default.
- W2979582066 cites W2036938887 @default.
- W2979582066 cites W2045442437 @default.
- W2979582066 cites W2048221495 @default.
- W2979582066 cites W2049955019 @default.
- W2979582066 cites W2049984032 @default.
- W2979582066 cites W2051055753 @default.
- W2979582066 cites W2051381895 @default.
- W2979582066 cites W2052833913 @default.
- W2979582066 cites W2057309927 @default.
- W2979582066 cites W2060586973 @default.
- W2979582066 cites W2066448021 @default.
- W2979582066 cites W2067344446 @default.
- W2979582066 cites W2073456029 @default.
- W2979582066 cites W2073713172 @default.
- W2979582066 cites W2074904947 @default.
- W2979582066 cites W2079748959 @default.
- W2979582066 cites W2084253981 @default.
- W2979582066 cites W2084426078 @default.
- W2979582066 cites W2090627946 @default.
- W2979582066 cites W2090809406 @default.
- W2979582066 cites W2093947851 @default.
- W2979582066 cites W2135344399 @default.
- W2979582066 cites W2143076068 @default.
- W2979582066 cites W2145250787 @default.
- W2979582066 cites W2149159001 @default.
- W2979582066 cites W2177834132 @default.
- W2979582066 cites W2236510725 @default.
- W2979582066 cites W2285558057 @default.
- W2979582066 cites W2304594792 @default.
- W2979582066 cites W2315379429 @default.
- W2979582066 cites W2319910844 @default.
- W2979582066 cites W2321098538 @default.
- W2979582066 cites W2321591122 @default.
- W2979582066 cites W2321981907 @default.
- W2979582066 cites W2322953677 @default.
- W2979582066 cites W2325117748 @default.
- W2979582066 cites W2330203699 @default.
- W2979582066 cites W2473809762 @default.
- W2979582066 cites W2486257230 @default.
- W2979582066 cites W2606444565 @default.
- W2979582066 cites W2739258130 @default.
- W2979582066 cites W2902272848 @default.
- W2979582066 cites W2902652444 @default.
- W2979582066 cites W2913559498 @default.
- W2979582066 cites W4240481260 @default.
- W2979582066 cites W4243532647 @default.
- W2979582066 cites W4250448744 @default.
- W2979582066 cites W585924654 @default.
- W2979582066 doi "https://doi.org/10.1021/acs.molpharmaceut.9b00877" @default.
- W2979582066 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31589458" @default.
- W2979582066 hasPublicationYear "2019" @default.
- W2979582066 type Work @default.