A5058973225- X-ray Diffraction in Crystallography
- Advanced NMR Techniques and Applications
- Crystallization and Solubility Studies
- Crystallography and molecular interactions
- Solid-state spectroscopy and crystallography
- NMR spectroscopy and applications
- Advanced MRI Techniques and Applications
- Conducting polymers and applications
- Polymer Surface Interaction Studies
- Thermography and Photoacoustic Techniques
- Electrospun Nanofibers in Biomedical Applications
- Rare-earth and actinide compounds
- Magnetic and transport properties of perovskites and related materials
- Crystal structures of chemical compounds
- Electron Spin Resonance Studies
- Thermal properties of materials
- Contact Dermatitis and Allergies
- Advanced Chemical Sensor Technologies
- Innovative concrete reinforcement materials
- Spectroscopy and Chemometric Analyses
- Molecular spectroscopy and chirality
- Advanced Condensed Matter Physics
- Synthesis and properties of polymers
- Atomic and Subatomic Physics Research
- Analytical Chemistry and Chromatography
National Institute for Research and Development of Isotopic and Molecular Technologies
2014-2024
Technical University of Cluj-Napoca
1997-2017
Babeș-Bolyai University
1997-2009
Crystal structures of ketoconazole oxalate salt (1) and three co-crystals with fumaric (2), succinic (3), adipic (4) acids in 1:1 stoichiometry were determined by single-crystal X-ray diffraction which 1 forms dimers involved ionic interaction the imidazole ring molecules, while 2–4 display 4-member circuit networks between hydrogen-bonded coformer molecules. The co-crystal nature 1–4 was confirmed combining diffraction, ss-NMR, lattice energy calculations. Ketoconazole molecules show highly...
The 1:1 cocrystal of the antifungal agent ketoconazole with p-aminobenzoic acid was successfully crystallized and systematically characterized by a physical pharmacological point view. Crystal structure determination confirmed identity, giving full insight in its crystal packing degree disorder. Powder dissolution measurements revealed 10-fold aqueous solubility increase that induces 6.7-fold oral bioavailability improvement compared to ketoconazole. In vitro cell assays showed good toxicity...
Despite the simple molecular structure of quercetin, exact conformation hydroxyl groups and induced hydrogen bonding network in its anhydrous form could not be determined if starting from crystal models provided by X-ray powder diffraction (XRPD) alone. If instead a multi-technique approach that combines XRPD data analysis with information 13C 1H solid-state Nuclear Magnetic Resonance (ss-NMR) modeling is employed ambiguities largely reduced. A conformational was performed on isolated...
A solid state structural investigation of ethoxzolamide is performed on microcrystalline powder by using a multi-technique approach that combines X-ray diffraction (XRPD) data analysis based direct space methods with information from 13C(15N) solid-state Nuclear Magnetic Resonance (SS-NMR) and molecular modeling. Quantum chemical computations the crystal were employed for geometry optimization shift calculations Gauge Including Projector Augmented-Wave (GIPAW) method, whereas systematic...
Determination of the first crystalline structures antihistaminic drug promethazine hydrochloride (PTZ) by single crystal X-ray diffraction revealed a possible case intergrowth polymorphic domains that requires further experimentation for confirmation. The two PTZ are characterized high similarity both molecular conformation and packing slight variations unit cell parameters induced distinct disorder levels in aliphatic chain. These lead to small displacements molecules and, consequently,...
A new analytical method is presented for studying in a uniform way the spin dynamics NMR experiments performed under conditions of magic angle spinning. It was derived on basis formalized Floquet theory and consists transforming Fourier-state representation signal into an integral one. The proves to be well suited combination with Rayleigh-Schrodinger perturbation both fast slow spinning regimes. corresponding expansions can readily extended higher-order correction terms, which also allows...
Structure determination of lisinopril dihydrate is conducted using NMR crystallography methods. The analysis centred on the optimization a strategy capable providing key structural features that are inaccessible by XRPD alone even under high-resolution conditions.
A new type of polymer containing a number functional groups with orthogonal reactivity, allowing linkage to several functionalities.
ABSTRACT Photopyroelectric calorimetry, in the front (inverse) configuration (with thermally thick sensor and sample, optically opaque sensor), was applied to measure thermal effusivity of some fats water-based juice products. The information obtained via a frequency scan phase pyroelectric signal; measurements need no calibration. main advantages this above other two previously proposed schemes are: (i) it does not require use very thin foils or expensive semitransparent sensors; (ii) is...
The crystal structure solution of the title compound is determined from microcrystalline powder using a multi-technique approach that combines X-ray diffraction (XRPD) data analysis based on direct-space methods with information (13)C solid-state NMR (SSNMR), and molecular modelling GIPAW (gauge including projector augmented-wave) method. space group Pbca one molecule in asymmetric unit. proposed methodology proves very useful for unambiguously characterizing supramolecular arrangement...
The solid dispersion system containing a high amount of the natural compound curcumin was prepared with whey protein concentrate by spray-drying method in 5:1 molar ratio.X-ray powder diffraction and DSC techniques show formation amorphous state, presence weak hydrogen bond type interactions between components established FTIR analysis.SEM images highly homogeneous donut-like spherical microparticles morphology for system.The solubility from enhanced compared to practically insoluble raw...
Ambazone monohydrate C8H11N7S · H2O (AMB), a well-known antimicrobial compound, was used together with Glutamic Acid C5H9NO4 (Glu) to obtain new solid form using the solvent-drop grinding procedure. The screening of best achieved by combined use X-ray Powder Diffraction (XRPD) and several spectroscopic techniques (Fourier Transformed Infrared Spectroscopy (FTIR), Photoelectron (XPS), Raman 13C-NMR spectroscopy) Differential Scanning Calorimetry (DSC), thermal analysis thermogravimetry...