A5083321107- Nonlinear Optical Materials Research
- Photochemistry and Electron Transfer Studies
- Crystallography and molecular interactions
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Thermodynamic properties of mixtures
- Spectroscopy and Quantum Chemical Studies
- Computational Drug Discovery Methods
- Magnetism in coordination complexes
- Spectroscopy Techniques in Biomedical and Chemical Research
- Metal-Organic Frameworks: Synthesis and Applications
- Crystal structures of chemical compounds
- Spectroscopy and Chemometric Analyses
- Algal biology and biofuel production
- Machine Learning in Bioinformatics
- Chemical and Physical Properties in Aqueous Solutions
- Lanthanide and Transition Metal Complexes
- Metal complexes synthesis and properties
- Protein Structure and Dynamics
- Molecular Junctions and Nanostructures
- Insect Pest Control Strategies
- RNA and protein synthesis mechanisms
- DNA and Nucleic Acid Chemistry
- Pharmaceutical and Antibiotic Environmental Impacts
- Fullerene Chemistry and Applications
Universidad del Atlántico
2018-2025
University of Atlántico
2016-2024
University of Zulia
2003-2015
Centre National de la Recherche Scientifique
2004-2005
Within 24 hours of slow evaporation the solution containing CuCl2.2H2O, metronidazole, and NH4SCN, a red-like crystalline Cu(I) complex titled [Cu(SCN)(mnz)]n (1), [where mnz = metronidazole; SCN thiocyanate], was synthesized. The presence SCN− during synthesis induces reduction Cu(II) to giving rise novel 1D coordination polymer. compound characterized by single crystal X-ray diffraction, powdered spectroscopic proprieties, Hirshfeld surface analysis. crystallizes in monoclinic space group...
The present manuscript describes a novel 3D-QSAR alignment free method (QuBiLS-MIDAS Duplex) based on algebraic bilinear, quadratic and linear forms the kth two-tuple spatial-(dis)similarity matrix. Generalization schemes for inter-atomic spatial distance using diverse (dis)-similarity measures are discussed. On other hand, normalization approaches matrix by simple- double-stochastic mutual probability introduced. With aim of taking into consideration particular interactions in total or...

 Objetivo: Realizar un estudio comparativo del proceso de clarificación humedal natural usando dos coagulantes, sulfato aluminio y cascara papa (Solanum tuberosum L). Metodología: Inicialmente se recolectó el residuo agroindustrial diferentes establecimientos comidas rápidas restaurantes la ciudad Barranquilla donde, habitualmente, es descartado. La cáscara sometió a lavado, secado molienda. El polvo obtenido tamizó envasó herméticamente en frasco vidrio para ser utilizado como...
Microalgae are used as a lipid source for different applications, such cosmetics and biofuel. The nonliving biomass the byproduct from extraction procedure can efficiently remove antibiotics. This work has explored potential use of Chlorella sp. biomasses tetracycline (Tc) removal highly concentrated aqueous media. Non-living (NLB) is before procedure, while lipid-extracted (LEB) mentioned before. LEB removed 76.9% Tc at 40 mg/L initial concentration mg biomass, representing an adsorption...
Abstract The dipole moment μ and the electronic (hyper)polarizabilities α, β, γ tensors of paranitroaniline (PNA) has been calculated in static regime with B3LYP hybrid approach density functional theory (DFT) formalism by using numerical triple finite field method Kamada et al. calculations were performed planar C 2 v optimized geometry standard 6‐31+G( d,p ), d *, p ) specialized Sadlej basis sets. B3LYP/6‐31+G( results μ, are comparable to those literature. In particular, average PNA is...
Abstract Plant parasitic nematodes are generally soilborne pathogens that attack plants and cause economic losses in many crops. The infested show nonspecific symptoms or, often, symptomless; therefore, diagnosis is performed by taking soil root tissue samples. Here, we a combination of different infrared spectra analysis machine learning algorithms can be used to detect plant nematode infestations before become visible, using leaves instead roots as We found tomato guava with Meloidogyne...
Quantitative structure-activity relationship(QSAR) modeled the biological activities of 30 cannabinoids with quantum similarity descriptors(QSD) and Comparative Molecular Field Analysis (CoMFA). The PubChem[https://pubchem.ncbi.nlm.nih.gov/] database provided geometries, binding affinities(Ki ) to cannabinoid receptors type 1(CB1) 2(CB2), median lethal dose(LD50 breast cancer cells. An innovative approach combining (self)-similarity indexes calculated different charge-fitting schemes under...