A5047078076- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Crystallography and molecular interactions
- Crystal structures of chemical compounds
- Advanced NMR Techniques and Applications
- Chemical Thermodynamics and Molecular Structure
- Solid-state spectroscopy and crystallography
- Cultural Heritage Materials Analysis
- Metal-Organic Frameworks: Synthesis and Applications
- Analytical Chemistry and Chromatography
- Drug Solubulity and Delivery Systems
- Building materials and conservation
- Conservation Techniques and Studies
- Metal complexes synthesis and properties
- Molecular Sensors and Ion Detection
- Synthesis and biological activity
- Nonlinear Optical Materials Research
- Ferrocene Chemistry and Applications
- Axial and Atropisomeric Chirality Synthesis
- Molecular spectroscopy and chirality
- Membrane Separation and Gas Transport
- Herpesvirus Infections and Treatments
- Extracellular vesicles in disease
- Synthesis of heterocyclic compounds
- Phenothiazines and Benzothiazines Synthesis and Activities
National Institute for Research and Development of Isotopic and Molecular Technologies
2016-2025
Clinical Emergency Hospital Bucharest
2020
Babeș-Bolyai University
2013-2017
Spitalul Clinic Județean de Urgență Cluj-Napoca
2016-2017
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...
4-chloro-5-chlorosulfonyl salicylic acid [C7H4Cl2O5S] is a derivative of and diuretic agent. Its ability to form polymorphs through recrystallization from various solvents was demonstrated. As result, four were successfully obtained analyzed using single-crystal X-ray diffraction powder diffraction, which represents novelty regarding the polymorphism this compound pharmaceutical interest. The solid-state properties investigated by evaluating crystal lattice energies intermolecular interactions.
Three complexes of Cd(II), [Cd(NA)₂(NO₃)₂(H₂O)₂] (1), [Cd(NA)₂(NO₃)₂(H₂O)₂]·2NA (2), and [Cd(ox)(NA)(H₂O)]·H₂O (3) (NA = nicotinamide, ox oxalate) were synthesized characterized. Complexes (1) (2) are mononuclear, while complex is a bidimensional polymeric coordination compound, with oxalate anions bridging metal ions in two different ways: µ₂ bis-bidentate chelating manner µ₄ bis-monodentate manner. The stereochemistry Cd(II) compounds distorted pentagonal bipyramid, compound it regular...
Understanding cellular interaction with nanomaterials represents a subject of great interest for the validation new diagnostic and therapeutic tools. A full characterization designed product includes evaluation its impact on specific biological systems, including study cell behavior as response to that particular interaction. Copper copper-based nanoparticles (CuO NPs) have emerged valuable building blocks various biomedical applications such antibacterial disinfecting agents infectious...
Supramolecular assemblies of 2,7-dipyridylfluorene with diiodotetrafluorobenzene isomers were obtained by mechanochemical synthesis, and their structures determined single crystal X-ray diffraction. The contribution specific noncovalent interactions between different building blocks to the stability solid-state packing behaviors supramolecular catemers was evaluated theoretical methods, which confirm geometries interactional bonding observed in diffraction structures.
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.
Abstract Androsta-1,4-dien-17β-ol-3-one, also known as boldenone, is an anabolic-androgenic steroid derived from testosterone. The crystal structures of boldenone base, acetate, propionate, cypionate and a acetate polymorph obtained by high throughput screening were investigated. Hirshfeld surfaces fingerprint plots breakdown revealed that the molecular packing in crystals are driven dominant H⋯H intermolecular contacts, followed O⋯H/H⋯O contacts to lesser degree C⋯H/H⋯C contacts. skeleton...
Manganese doped crystalline copper oxide (CuO:Mn) and undoped CuO were prepared at room temperature by the hydrothermal method. The complete physico-chemical characterization of materials was performed using X-ray diffraction (XRD), transmission/scanning electron microscopy (TEM/SEM), photoelectron spectroscopy (XPS). Furthermore, their analytical applicability tested in electrochemical experiments for a dopamine assay. According to morphological investigation, had flat structure with nearly...
Exciting β-HCH–anion recognition <italic>via</italic> cooperative aliphatic C–H–anion contacts is discussed.
The nature of intermolecular interactions in different molecular crystal configurations formed by pyridinium cations, chloride or bromide anions as well β-hexachlorocyclohexane (β-HCH) molecules has been investigated using high level <italic>ab initio</italic> quantum chemistry methods.
Single-crystal X-ray diffraction studies on Halogen-Bonded Organic Frameworks (XBOF) formed by N---I contacts of 2,2′,7,7′-tetrapyridyl-9,9′-spirobifluorene with pentafluoroiodobenzene or the isomers diiodotetrafluorobenzene revealed formation F---I, F---F, and I---I halogen bonds unique tetrameric superstructures halogenated derivatives in which position I atoms is mimicking orientation pyridyl groups 9,9′-spirobifluorene derivative resulting 1/4 molar ratio coordination compounds to...
Abstract Methenolone and drostanolone are two popular synthetic anabolic-androgenic agents dihydrotestosterone derivatives which belong to the steroid family. Two esterified prodrugs of methenolone drostanolone, in form enanthate, have been described from a structural point view. The crystal structure enanthate was determined by single X-ray diffraction, while solved powder diffraction technique. nature magnitudes intermolecular interactions were analysed quantitatively means lattice...
Oxymetholone [C21H32O3] and metribolone [C19H24O2] are synthetic anabolic-androgenic agents which included in the steroid class. Their ability to form new solid forms their possibility be host-guest β-cyclodextrin complexes was explored. The recrystallization of compounds a wide variety solvents accomplished. Two oxymetholone polymorphs one acetic acid solvate were obtained:, while is reported only starting form. crystal structures elucidated using single-crystal X-ray diffraction energies...