A5014478432- Crystallization and Solubility Studies
- Crystallography and molecular interactions
- X-ray Diffraction in Crystallography
- Pharmacological Receptor Mechanisms and Effects
- Adenosine and Purinergic Signaling
- Peroxisome Proliferator-Activated Receptors
- Crystal structures of chemical compounds
- Inorganic Fluorides and Related Compounds
- Adipose Tissue and Metabolism
- Chemical Thermodynamics and Molecular Structure
- Solid-state spectroscopy and crystallography
- Neuropeptides and Animal Physiology
- Polymer crystallization and properties
- Ammonia Synthesis and Nitrogen Reduction
- Metabolism and Genetic Disorders
- Metabolism, Diabetes, and Cancer
- biodegradable polymer synthesis and properties
- Synthesis and Biological Evaluation
- Advanced Chemical Physics Studies
- Eicosanoids and Hypertension Pharmacology
- Rheology and Fluid Dynamics Studies
University of Naples Federico II
2013-2019
The adsorption of small probe molecules (H2O, NH3 and EtOH) the model silane Me2Si(OMe)2 on (104) (110) surfaces α-MgCl2 have been studied using periodic DFT calculations including a classical correction (of type f(R)/R6) for dispersion. results reveal that donors strongly stabilize both crystal relative to bulk solid. Moreover, coordination two donor four-coordinate exposed Mg atom MgCl2 causes this surface become preferred over with only single per Mg. However, coverage also plays an...
Peroxisome proliferator-activated receptor γ (PPARγ) has received significant attention as a key regulator of glucose and lipid homeostasis. In this study, we synthesized tested library novel 5-benzylidene-thiazolidin-2,4-dione (BTZD) derivatives bearing substituent on nitrogen TZD nucleus (compounds 1a-1k, 2i-10i, 3a, 6a, 8a-10a). Three compounds (1a, 1i, 3a) exhibited selectivity towards PPARγ were found to be weak moderate partial agonists. Surface Plasmon Resonance (SPR) results...
The development of PPARα/γ dual or PPARα/γ/δ pan-agonists could represent an efficacious approach for a simultaneous pharmacological intervention on carbohydrate and lipid metabolism. Two series new phenyldiazenyl fibrate derivatives GL479, previously reported agonist, were synthesized tested. Compound 12a was identified as PPAR pan-agonist with moderate balanced activity the three isoforms (α, γ, δ). Moreover, docking experiments showed that adopts different binding mode in PPARγ compared...
Imines obtained by condensation of 4-hydroxybenzohydrazide with aliphatic ketones are a rare example class compounds showing remarkable tendency to crystallize in acentric polar space groups (Pna21 or Cc). In fact, all the (seven) studied up now show at least one polymorph. some cases, polymorphism was detected, and nonpolar centrosymmetric phase also identified (P21/c P21/n group). With aim disclose conditions that can favor formation structures molecular crystals, we report, this paper,...
Our previous work discovered that combining the appropriate 5′- and N6-substitution in adenosine derivatives leads to highly selective human A1 receptor (hA1AR) agonists or potent dual hA1AR hA3AR antagonists. In order explore novel ligands, a series of N6-substituted-5′-pyrazolyl-adenosine 2-chloro-adenosine were synthesized assayed vitro at all ARs. The N6-(±)-endo-norbornyl derivative 12 was most A1AR effective as an analgesic formalin test mice, but none 5′-pyrazolyl compounds showed...
Semicarbazides of p-substituted benzoic acids are a class simple molecules endowed with H-bonding donor and acceptor groups capable forming H-bonded rows along three linearly independent directions (orthogonal synthons). When the group at para position is strong (–NO2, –CN, –N) same crystal packing observed, in which chains formed, lattice parameters easily predictable. In case halogen atoms (–F, –Cl) two different packings observed only one or present. Through ab initio periodic DFT-LCAO...