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Korelacje między strukturą supramolekularną, dynamiką molekularną, stabilnością fizyko-chemiczną i rozpuszczalnością w czystych farmaceutycznych substancjach aktywnych (APIs) oraz systemach binarnych API-substancja pomocnicza

Version 10.0

Jurkiewicz, Karolina, 2023, "Korelacje między strukturą supramolekularną, dynamiką molekularną, stabilnością fizyko-chemiczną i rozpuszczalnością w czystych farmaceutycznych substancjach aktywnych (APIs) oraz systemach binarnych API-substancja pomocnicza", https://doi.org/10.18150/VVVMK8, RepOD, V10

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Description

Zbiór zawiera dane z pomiarów, analizy i opracowania wyników badanych w projekcie substancji farmaceutycznych. Stosowanymi technikami badawczymi są przede wszystkim dyfrakcja promieniowania X (XRD), szerokopasmowa spektroskopia dielektryczna (BDS), spektroskopia Ramana i w podczerwieni (IR) oraz skaningowa kalorymetria różnicowa (DSC). Zbiór zawiera pliki z surowymi danymi z pomiarów, jak również ich opracowania. Każdy podzbiór danych w formacie .zip zawiera informację o nazwie badanej substancji oraz technice badawczej.

The collection contains raw data from measurements, analyzes and results of the description of the studied pharmaceutical compounds. The research techniques used are primarily X-ray diffraction (XRD), broadband dielectric spectroscopy (BDS), Raman and Infrared spectroscopy (IR) and differential scanning calorimetry (DSC). The collection contains files with raw measurement data as well as their elaboration. Each .zip subset contains information on the name of the studied compound and the research technique used.

Subject
Chemistry; Engineering; Medicine, Health and Life Sciences; Physics
Keyword

farmacuetyki, struktura atomowa, molekularna i supramolekularna, dynamika molekularna, dyfrakcja promieniowania X, szerokopasmowa spektroskopia dielektryczna, spektroskopia Ramana i w podczewieni, stan szklisty, witryfikacja, kriomielenie, przeciśnieniowanie, stabilność fizyczna, krystalizacja, pharmaceuticals, atomic, molecular and supramolecular structure, molecular dynamics, X-ray diffraction, broadband dielectric spectroscopy, Raman and infrared spectroscopy, glassy state, vitrification, cryomilling, pressure-densification, physical stability, crystallization

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Melatonina_XRD_2022.zip
ZIP Archive - 746.6 KB - Mar 29, 2023 - 28 Downloads
MD5: b03ff0233a37b75973776a6afc3521f7
License: CC0 Creative Commons Zero 1.0
X-ray diffraction raw data of melatonin ad its deuterated derivative, measured using Empyrean Panalytical diffractometer with Cu X-ray lamp. XY format (scattering angle 2Theta versus diffraction intensity). Xlsx file contains the refined unit cell parameters.
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Loratadyna_XRD_2023.zip
ZIP Archive - 50.3 KB - Mar 29, 2023 - 23 Downloads
MD5: d5ad367e2a3c1567c3b2b2b5dd2ec2d1
License: CC0 Creative Commons Zero 1.0
X-ray diffraction raw data of ordinary and pressure-densified glasses of loratadine, measured using Rigaku Denki D-Max Rapid II diffractometer with Ag X-ray lamp. Ascii format (scattering angle 2Theta versus diffraction intensity).
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Adamantanol_amantadyna_XRD_2023.zip
ZIP Archive - 595.6 KB - Mar 29, 2023 - 17 Downloads
MD5: 87dd19ea7a853e33ec8dda59021ea71b
License: CC0 Creative Commons Zero 1.0
X-ray diffraction data of 1-adamantanol and 1-adamantylamine measured using Rigaku Denki D-Max Rapid II diffractometer with Ag X-ray lamp. Ascii format (scattering angle 2Theta versus diffraction intensity).
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Ritonawir_XRD_2023.zip
ZIP Archive - 100.6 KB - Mar 29, 2023 - 15 Downloads
MD5: 44b8bfcb7c1f2c9216a8b0368d1d4777
License: CC0 Creative Commons Zero 1.0
X-ray diffraction data of ritonavir odrinary glass and pressure-densified glass measured using Rigaku Denki D-Max Rapid II diffractometer with Ag X-ray lamp. Ascii format (scattering angle 2Theta versus diffraction intensity).
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Melatonina_BDS_2022.zip
ZIP Archive - 674.2 KB - Aug 28, 2023 - 2 Downloads
MD5: a4bc87fcbb7b8c841ef185d79764e399
License: CC0 Creative Commons Zero 1.0
Broadband dielectric spectroscopy has used as a measurement method to study the molecular dynamic of melatonin and its partially-deuterated derivative above and below the Temperature glass transitions. Types of equipment: Alpha analyzer (Novocontrol Technologies GmbH & Co. KG, Hundsangen, Germany)) and high-pressure equipment/chamber (Unipress / Spinus, Poland). Ascii and .eps format.
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Loratadine_DielectricSpectroscopy_2023.zip
ZIP Archive - 454.9 KB - Aug 28, 2023 - 3 Downloads
MD5: e297db775f48bc5cc79f277a271ba8b8
License: CC BY - Creative Commons Attribution 4.0
Broadband dielectric spectroscopy has used as a measurement method to study the molecular dynamic of loratadine above and below the Temperature glass transitions. Types of equipment: Alpha analyzer (Novocontrol Technologies GmbH & Co. KG, Hundsangen, Germany)) and high-pressure equipment/chamber (Unipress / Spinus, Poland)
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Loratadine_CalorimetryData_2023.zip
ZIP Archive - 60.8 KB - Aug 28, 2023 - 2 Downloads
MD5: 8b9a5901ddb17d107ecf0fa21b0bb67c
License: CC BY - Creative Commons Attribution 4.0
Differential scanning calorimetry was used to obtain calorimetric data of loratadine in a wide range of temperatures. Mettler- Toledo DSC apparatus (Mettler–Toledo International, Inc., Greifensee, Switzerland).
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Melatonina_DSC_2022.zip
ZIP Archive - 212.0 KB - Aug 28, 2023 - 3 Downloads
MD5: 6df6430443b347ec6b734f15edf988b6
License: CC0 Creative Commons Zero 1.0
Differential scanning calorimetry was used to obtain calorimetric data of melatonin and its partially-deuterated derivative in a wide range of temperatures. Mettler- Toledo DSC apparatus (Mettler–Toledo International, Inc., Greifensee, Switzerland). Ascii and .tif format.
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Flutamide_PVP_mix_DielectricSpectra.zip
ZIP Archive - 249.0 KB - Aug 28, 2023 - 5 Downloads
MD5: fb7c88009cd61c4eec5e9c1357fccb31
License: CC BY - Creative Commons Attribution 4.0
Dielectric spectra of binary mixtures (Flutamide + polymers PVP 10% wt.) Broadband dielectric spectroscopy has used as a measurement method to study the molecular dynamic of binary mixtures above the Temperature glass transitions. Types of equipment: Alpha analyzer (Novocontrol Technologies GmbH & Co. KG, Hundsangen, Germany)) and high-pressure equipment/chamber (Unipress / Spinus, Poland)
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Flutamide_PVP_NMR_measurments.zip
ZIP Archive - 35.6 MB - Aug 28, 2023 - 5 Downloads
MD5: 77df4f73461142f11f895e14b4ca7d81
License: CC BY - Creative Commons Attribution 4.0
1H and 13C NMR spectra were collected on a Bruker Ascend 500 MHz spectrometer for the samples in CDCl3 or D2O with a TMS internal standard at 25 C degree.
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