Pharmaceutical Crystals (Volume II)

The crystalline state is the most commonly used as an essential solid in active pharmaceutical ingredients (API). The characterization of pharmaceutical crystals encompasses many scientific disciplines. Still, the core is crystal structure analysis, which reveals the molecular structure of essential...

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Published: MDPI - Multidisciplinary Digital Publishing Institute 2023
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description The crystalline state is the most commonly used as an essential solid in active pharmaceutical ingredients (API). The characterization of pharmaceutical crystals encompasses many scientific disciplines. Still, the core is crystal structure analysis, which reveals the molecular structure of essential pharmaceutical compounds. Crystal structure analysis provides important structural information related to the API's wide range of physicochemical properties, such as solubility, stability, tablet performance, color, and hygroscopicity. These properties should be understood in terms of molecular structures and interactions between molecules in crystals. Information on three-dimensional molecular structures also affords insights into the biological activity of molecules. The second reprint in the series, "Crystalline Pharmaceuticals (Volume II)" focused on the relationship between crystal structure and physicochemical properties. In particular, the new crystal structure of pharmaceutical compounds involving multi-component crystals, such as co-crystals, salts and hydrates, and polymorph crystals, were reported with interest. Such crystal structures contributed to the latest studies that combine morphology, spectroscopic, theoretical calculation, and thermal analysis with the crystallographic study. Thus, this reprint highlights the importance of crystal structure information in many areas of pharmaceutical science and presents current trends in the structure-property study of pharmaceutical crystals. The Guest Editors of this reprint hope the readers enjoy a wide variety of recent studies on "Crystalline Pharmaceuticals."
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publishDate 2023
publishDateRange 2023
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publisher MDPI - Multidisciplinary Digital Publishing Institute
publisherStr MDPI - Multidisciplinary Digital Publishing Institute
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spelling doab-20.500.12854ir-980342024-04-11T15:11:17Z Pharmaceutical Crystals (Volume II) Yonemochi, Etsuo Uekusa, Hidehiro anastrozole non-covalent interactions halogen bonding lp-π interactions DFT QTAIM synthesis crystal structure fenclorim antifungal activity pyrimidine enrofloxacin salts organic acids solubility methimazole 1,2-bis[(1-methyl-1H-imidazole-2-yl)thio]ethane solid-state forms hydrates dehydration disordered crystal structure hydrogen bonding in silico docking Hirshfeld surface NF-κB signaling IKKβ inhibitor venetoclax crystals hydrate conformation X-ray diffraction nanocrystalline materials physicochemical characterization vibrational spectroscopy X-ray analysis thermal analysis critical quality attributes Disopyramide Terephthalic acid salt molecular packing slurry crystallization disopyramide phthalic acid metastable crystal structure analysis diclofenac diclofenac sodium hydration–dehydration mechanism anhydrate thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TQ Environmental science, engineering and technology The crystalline state is the most commonly used as an essential solid in active pharmaceutical ingredients (API). The characterization of pharmaceutical crystals encompasses many scientific disciplines. Still, the core is crystal structure analysis, which reveals the molecular structure of essential pharmaceutical compounds. Crystal structure analysis provides important structural information related to the API's wide range of physicochemical properties, such as solubility, stability, tablet performance, color, and hygroscopicity. These properties should be understood in terms of molecular structures and interactions between molecules in crystals. Information on three-dimensional molecular structures also affords insights into the biological activity of molecules. The second reprint in the series, "Crystalline Pharmaceuticals (Volume II)" focused on the relationship between crystal structure and physicochemical properties. In particular, the new crystal structure of pharmaceutical compounds involving multi-component crystals, such as co-crystals, salts and hydrates, and polymorph crystals, were reported with interest. Such crystal structures contributed to the latest studies that combine morphology, spectroscopic, theoretical calculation, and thermal analysis with the crystallographic study. Thus, this reprint highlights the importance of crystal structure information in many areas of pharmaceutical science and presents current trends in the structure-property study of pharmaceutical crystals. The Guest Editors of this reprint hope the readers enjoy a wide variety of recent studies on "Crystalline Pharmaceuticals." 2023-03-07T16:30:12Z 2023-03-07T16:30:12Z 2023 book ONIX_20230307_9783036554730_44 9783036554730 9783036554747 https://directory.doabooks.org/handle/20.500.12854/98034 eng image/jpeg Attribution 4.0 International https://mdpi.com/books/pdfview/book/6761 MDPI - Multidisciplinary Digital Publishing Institute 10.3390/books978-3-0365-5474-7 10.3390/books978-3-0365-5474-7 46cabcaa-dd94-4bfe-87b4-55023c1b36d0 9783036554730 9783036554747 176 Basel open access
spellingShingle anastrozole
non-covalent interactions
halogen bonding
lp-π interactions
DFT
QTAIM
synthesis
crystal structure
fenclorim
antifungal activity
pyrimidine
enrofloxacin
salts
organic acids
solubility
methimazole
1,2-bis[(1-methyl-1H-imidazole-2-yl)thio]ethane
solid-state forms
hydrates
dehydration
disordered crystal structure
hydrogen bonding
in silico docking
Hirshfeld surface
NF-κB signaling
IKKβ inhibitor
venetoclax
crystals
hydrate
conformation
X-ray diffraction
nanocrystalline materials
physicochemical characterization
vibrational spectroscopy
X-ray analysis
thermal analysis
critical quality attributes
Disopyramide
Terephthalic acid
salt
molecular packing
slurry crystallization
disopyramide
phthalic acid
metastable
crystal structure analysis
diclofenac
diclofenac sodium
hydration–dehydration mechanism
anhydrate
thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues
thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TQ Environmental science, engineering and technology
Pharmaceutical Crystals (Volume II)
title Pharmaceutical Crystals (Volume II)
title_full Pharmaceutical Crystals (Volume II)
title_fullStr Pharmaceutical Crystals (Volume II)
title_full_unstemmed Pharmaceutical Crystals (Volume II)
title_short Pharmaceutical Crystals (Volume II)
title_sort pharmaceutical crystals volume ii
topic anastrozole
non-covalent interactions
halogen bonding
lp-π interactions
DFT
QTAIM
synthesis
crystal structure
fenclorim
antifungal activity
pyrimidine
enrofloxacin
salts
organic acids
solubility
methimazole
1,2-bis[(1-methyl-1H-imidazole-2-yl)thio]ethane
solid-state forms
hydrates
dehydration
disordered crystal structure
hydrogen bonding
in silico docking
Hirshfeld surface
NF-κB signaling
IKKβ inhibitor
venetoclax
crystals
hydrate
conformation
X-ray diffraction
nanocrystalline materials
physicochemical characterization
vibrational spectroscopy
X-ray analysis
thermal analysis
critical quality attributes
Disopyramide
Terephthalic acid
salt
molecular packing
slurry crystallization
disopyramide
phthalic acid
metastable
crystal structure analysis
diclofenac
diclofenac sodium
hydration–dehydration mechanism
anhydrate
thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues
thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TQ Environmental science, engineering and technology
topic_facet anastrozole
non-covalent interactions
halogen bonding
lp-π interactions
DFT
QTAIM
synthesis
crystal structure
fenclorim
antifungal activity
pyrimidine
enrofloxacin
salts
organic acids
solubility
methimazole
1,2-bis[(1-methyl-1H-imidazole-2-yl)thio]ethane
solid-state forms
hydrates
dehydration
disordered crystal structure
hydrogen bonding
in silico docking
Hirshfeld surface
NF-κB signaling
IKKβ inhibitor
venetoclax
crystals
hydrate
conformation
X-ray diffraction
nanocrystalline materials
physicochemical characterization
vibrational spectroscopy
X-ray analysis
thermal analysis
critical quality attributes
Disopyramide
Terephthalic acid
salt
molecular packing
slurry crystallization
disopyramide
phthalic acid
metastable
crystal structure analysis
diclofenac
diclofenac sodium
hydration–dehydration mechanism
anhydrate
thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TB Technology: general issues
thema EDItEUR::T Technology, Engineering, Agriculture, Industrial processes::TQ Environmental science, engineering and technology
url ONIX_20230307_9783036554730_44