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Deep eutectic solvents microbial toxicity: Current state of art and critical evaluation of testing methods
PublicationDeep eutectic solvents (DESs) were described at the beginning of 21st century and they consist of a mixture of two or more solid components, which gives rise to a lower melting point compared to the starting materials. Over the years, DESs have proved to be a promising alternative to traditional organic solvents and ionic liquids (ILs) due to their low volatility, low inflammability, easy preparation, and usually low cost of compounds...
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Green and Sustainable Membranes: A review
PublicationMembranes are ubiquitous tools for modern water treatment technology that critically eliminate hazardous materials such as organic, inorganic, heavy metals, and biomedical pollutants. Nowadays, nano-membranes are of particular interest for myriad applications such as water treatment, desalination, ion exchange, ion concentration control, and several kinds of biomedical applications. However, this state-of-the-art technology suffers...
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Abolfazl Shiroudi dr
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Novel 1,2,4-Oxadiazole Derivatives in Drug Discovery
PublicationAbstract: Five-membered 1,2,4-oxadiazole heterocyclic ring has received considerable attention because of its unique bioisosteric properties and an unusually wide spectrum of biological activities. Thus, it is a perfect framework for the novel drug development. After a century since the 1,2,4-oxadiazole have been discovered, the uncommon potential attracted medicinal chemists’ attention, leading to the discovery of a few presently...
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Advanced Potential Energy Surfaces for Molecular Simulation
PublicationAdvanced potential energy surfaces are defined as theoretical models that explicitly include many-body effects that transcend the standard fixed-charge, pairwise-additive paradigm typically used in molecular simulation. However, several factors relating to their software implementation have precluded their widespread use in condensed-phase simulations: the computational cost of the theoretical models, a paucity of approximate models...
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Review on mechanisms and efficiency of removal of microbiological contaminants in constructed wetlands
PublicationConstructed wetlands (CW) have been considered as a waste and a stormwater treatment systems for small communities or for areas with unsteady sewage flow conditions. Several investigations were undertaken for estimation suspended solids, organic matter and nutrients efficiency removal but only few focused on retention of microorganisms in constructed wetlands. In this review mechanisms of elimination of viruses, indicator bacteria...
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Charge Transfer, Complexes Formation and Furan Fragmentation Induced by Collisions with Low-Energy Helium Cations
PublicationThe present work focuses on unraveling the collisional processes leading to the fragmentation of the gas-phase furan molecules under the He+ and He2+ cations impact in the energy range 5–2000 eV. The presence of different mechanisms was identified by the analysis of the optical fragmentation spectra measured using the collision-induced emission spectroscopy (CIES) in conjunction with the ab initio calculations. The measurements of...
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Ranking of Heterogeneous Catalysts Metals by Their Greenness
PublicationCatalysis is very important process in industry and laboratory practice, especially from the point of green chemistry principles. However, eco-friendly character of heterogeneous catalysts, containing transition metal components has not been evaluated, yet. Therefore, we perform a comprehensive assessment of 18 heterogeneous metal catalysts (Pd, Pt, V, Co, Ni, Mo, Ru, Mn, Au, Cu, Cd, Zr, Fe, Rh, Ir, Sn, Zn, Ag) using multicriteria...
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Carboxylic acids as efficient corrosion inhibitors of aluminium alloys in alkaline media
PublicationThe efficiency of AA5754 aluminium alloy corrosion inhibition achieved with maleic, malic, succinic, tartaric, citric, tricarballylic acids and serine in alkaline environment (pH 11) was examined. Selected corrosion inhibitors are characterized by different numbers and distribution of carbonyl and hydroxyl groups within their molecules. We have proposed and verified a novel approach for determining the adsorption isotherms based...
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Application of Nanomaterials for Cadmium Adsorption for Sustainable Treatment of Wastewater: a Review
PublicationMany heavy metals, particularly cadmium, are detrimental to both people and the environment when present in large quantities. In wastewater treatment plants, several conventional approaches are employed for cadmium abatement to restore the ecosystem, food supplies, and health of people and animals. Ion exchange, coagulation, membrane filtration, and chemical precipitation are a few examples of ways for removing heavy metals from...
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Exploring thiophene-2-acetate and thiophene-3-acetate binding modes towards the molecular and supramolecular structures and photoluminescence properties of Pb(ii) polymers
PublicationTo evaluate the impact of the flexible positional isomeric ligands thiophene-2-acetate (2tpacCOO) andthiophene-3-acetate (3tpacCOO) on the construction and self-assembly process of Pb(II) polymers, twonovel compounds, [Pb(2tpacCOO)2(H2O)]n(1) and [Pb(3tpacCOO)2]n(2), were preparedviaanonhydro-thermal method with respect to green chemistry rules. The obtained polymers were fully characterized byelemental analysis, TG/DTG and PXRD,...
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Hydrophobic (deep) eutectic solvents (HDESs) as extractants for removal of pollutants from water and wastewater – A review
PublicationDeep eutectic solvents (DESs) are a new generation of solvents that attracted increasing attention in diverse applications. In last years, growing number of studies on hydrophobic (deep) eutectic solvents (HDESs) as an alternative extractants for various chemicals from aqueous environments have been reported. This article provides an overview on the usage of HDESs in liquid–liquid extraction (LLE) of different pollutants from water...
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Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String
PublicationA new method of Hansen solubility parameters (HSPs) prediction was developed by combining the multivariate adaptive regression splines (MARSplines) methodology with a simple multivariable regression involving 1D and 2D PaDEL molecular descriptors. In order to adopt the MARSplines approach to QSPR/QSAR problems, several optimization procedures were proposed and tested. The effectiveness of the obtained models was checked via standard...
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Silica-Based Ionogels: Nanoconfined Ionic Liquid-Rich Fibers for Headspace Solid-Phase Microextraction Coupled with Gas Chromatography–Barrier Discharge Ionization Detection
PublicationIn this work, hybrid silica-based materials with immobilized ionic liquids (ILs) were prepared by sol–gel technology and evaluated as solid-phase microextraction (SPME) fiber coatings. High loadings of the IL 1-methyl-3-butylimidazolium bis(trifluoromethylsulfonyl)imide ([C4MIM][TFSI]) were confined within the hybrid network. Coatings composition and morphology were evaluated using scanning electron microscopy and energy dispersive...
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High Concentrations of Excised Oxidative DNA Lesions in Human Cerebrospinal Fluid
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Comparison of the Usefulness of SPE Cartridges for the Determination ofβ-Blockers andβ-Agonists (Basic Drugs) in Environmental Aqueous Samples
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Lower Temperature Dehydrogenation of Methylcyclohexane by Membrane-assisted Equilibrium Shift
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PEDOT(PSS) as Solid Contact for Ion-Selective Electrodes: The Influence of the PEDOT(PSS) Film Thickness on the Equilibration Times
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Ion-selective electrodes based on p-tert-butyl-homooxacalixarene di(ethyl)amides
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Accurate, Direct, and High-Throughput Analyses of a Broad Spectrum of Endogenously Generated DNA Base Modifications with Isotope-Dilution Two-Dimensional Ultraperformance Liquid Chromatography with Tandem Mass Spectrometry: Possible Clinical Implication
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Evidence for attenuated cellular 8-oxo-7,8-dihydro-2′-deoxyguanosine removal in cancer patients
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Molecular organization of antifungal antibiotic amphotericin B in lipid monolayers studied by means of Fluorescence Lifetime Imaging Microscopy
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Syntheses and DNA binding of new cationic porphyrin–tetrapeptide conjugates
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Solid-Contact Ion-Selective Electrodes with Highly Selective Thioamide Derivatives of p-tert-Butylcalix[4]arene for the Determination of Lead(II) in Environmental Samples
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Binding of new cationic porphyrin–tetrapeptide conjugates to nucleoprotein complexes
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Equilibration Time of Solid Contact Ion-Selective Electrodes
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Solid-Contact pH Sensor without CO2Interference with a Superhydrophobic PEDOT-C14as Solid Contact: The Ultimate “Water Layer” Test
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Parallel in vitro and in silico investigations into anti-inflammatory effects of non-prenylated stilbenoids
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Biosorption of toxic metals using freely suspended Microcystis aeruginosa biomass
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Arbidol targeting influenza virus A Hemagglutinin; A comparative study
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pH Gradient as a Tool for the Separation of Ionizable Analytes in Reversed-Phase High-Performance Chromatography
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Investigation of the Effects of Primary Structure Modifications within the RRE Motif on the Conformation of Synthetic Bovine Herpesvirus 1‐Encoded UL49.5 Protein Fragments
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pH Gradient Reversed-Phase HPLC
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Application of Bayesian Multilevel Modeling in the Quantitative Structure–Retention Relationship Studies of Heterogeneous Compounds
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Molecular simulation study of cooperativity in hydrophobic association: clusters of four hydrophobic particles
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Determination of pKa by pH Gradient Reversed-Phase HPLC
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Analysis of Isocratic-Chromatographic-Retention Data using Bayesian Multilevel Modeling
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How Much Can We Learn from a Single Chromatographic Experiment? A Bayesian Perspective
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Amberlyst-15 catalysed synthesis of novel indole derivatives under ultrasound irradiation: Their evaluation as serotonin 5‑HT2C receptor agonists
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Maximum A Posteriori Bayesian Estimation of Chromatographic Parameters by Limited Number of Experiments
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Simultaneous Determination of pKa and Lipophilicity by Gradient RP HPLC
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Erratum to “Molecular simulation study of cooperativity in hydrophobic association: clusters of four hydrophobic particles” [Biophys. Chem. 105 (2003) 339–359]
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pH/Organic Solvent Double-Gradient Reversed-Phase HPLC
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Influence of pH on Retention in Linear Organic Modifier Gradient RP HPLC
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On practical problems in estimation of antioxidant activity of compounds by DPPH method (Problems in estimation of antioxidant activity)
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Chemical composition and antifungal activity of Chelidonium majus extracts – antagonistic action of chelerythrine and sanguinarine against Botrytis cinerea
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NMR studies of new arginine vasopressin analogs modified with α-2-indanylglycine enantiomers at position 2 bound to sodium dodecyl sulfate micelles
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Relevance of the Sea Sand Disruption Method (SSDM) for the Biometrical Differentiation of the Essential-Oil Composition from Conifers
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Influence of amino acid sequence on the interaction of short peptides containing 3-[2-(9-anthryl)benzoxazol-5-yl]-alanine with β-cyclodextrin
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Formation of aqueous and alcoholic adducts of curcumin during its extraction
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