Molecular dynamics simulation of novel diamino-functionalized hollow mesosilica spheres for adsorption of dyes from synthetic wastewater

Quantum chemical studies of chitosan nanoparticles as effective drug delivery systems for 5-fluorouracil anticancer drug

(2020) Mahnaz Rahbar et al.   JOURNAL OF MOLECULAR LIQUIDS

Efficient photocatalytic degradation of furosemide by a novel sonoprecipited ZnO over ion exchanged clinoptilolite nanorods

(2020) Zahra Heidari et al.   SEPARATION AND PURIFICATION TECHNOLOGY

Re-epithelialization and immune cell behaviour in an ex vivo human skin model

(2020) Ana Rakita et al.   Scientific Reports

Prediction of Electrical Conductivity of Deep Eutectic Solvents Using COSMO-RS Sigma Profiles as Molecular Descriptors: A Quantitative Structure–Property Relationship Study

(2020) Tarek Lemaoui et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Meso-architectured siliceous hollow quasi-capsule

(2020) Roozbeh Soltani et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Enhanced heterogeneous catalytic ozonation of pharmaceutical pollutants using a novel nanostructure of iron-based mineral prepared via plasma technology: A comparative study

(2020) Rasool Pelalak et al.   JOURNAL OF HAZARDOUS MATERIALS

Experimental and molecular dynamics simulation study on the adsorption of Rhodamine B dye on magnetic montmorillonite composite γ-Fe2O3@Mt

(2020) Hassan Ouachtak et al.   JOURNAL OF MOLECULAR LIQUIDS

Synthesis, theoretical calculation and anticancer activity of 4,6-diacetylresorcinol-dithiocarbazates and their Copper(II) complexes

(2020) Francielle C. Lima et al.   JOURNAL OF MOLECULAR STRUCTURE

Functionalized pollen-like mesoporous silica for Cr(VI) removal

(2020) Azam Marjani et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Degradation of sulfonamide antibiotics using ozone-based advanced oxidation process: Experimental, modeling, transformation mechanism and DFT study

(2020) Rasool Pelalak et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Degradation of furosemide using photocatalytic ozonation in the presence of ZnO/ICLT nanocomposite particles: Experimental, modeling, optimization and mechanism evaluation

(2020) Zahra Heidari et al.   JOURNAL OF MOLECULAR LIQUIDS

Binuclear oxovanadium(IV), cerium(III) and dioxouranium(VI) nano complexes of a bis(bidentate) ligand: Synthesis, spectroscopic, thermal, DFT calculations and biological studies

(2019) H.F. El-Shafiy et al.   JOURNAL OF MOLECULAR STRUCTURE

Novel and green nanocomposites-based adsorbents from functionalized mesoporous KCC-1 and chitosan-oleic acid for adsorption of Pb(II)

(2019) Fatemeh Zarei et al.   EUROPEAN POLYMER JOURNAL

Facile one-pot synthesis of thiol-functionalized mesoporous silica submicrospheres for Tl(I) adsorption: Isotherm, kinetic and thermodynamic studies

(2019) Roozbeh Soltani et al.   JOURNAL OF HAZARDOUS MATERIALS

Cationic dyes adsorption by Na-Montmorillonite Nano Clay: Experimental study combined with a theoretical investigation using DFT-based descriptors and molecular dynamics simulations

(2019) Rachid El Haouti et al.   JOURNAL OF MOLECULAR LIQUIDS

Novel diamino-functionalized fibrous silica submicro-spheres with a bimodal-micro-mesoporous network: Ultrasonic-assisted fabrication, characterization, and their application for superior uptake of Congo red

(2019) Roozbeh Soltani et al.   JOURNAL OF MOLECULAR LIQUIDS

Removal of crystal violet dye by an efficient and low cost adsorbent: Modeling, kinetic, equilibrium and thermodynamic studies

(2019) Maliheh Sarabadan et al.   KOREAN JOURNAL OF CHEMICAL ENGINEERING

Synthesis and characterization of novel N-methylimidazolium-functionalized KCC-1: A highly efficient anion exchanger of hexavalent chromium

(2019) Roozbeh Soltani et al.   CHEMOSPHERE

Molecular modeling of cationic dyes adsorption on agricultural Algerian olive cake waste

(2018) Khadra-Hanane Toumi et al.   JOURNAL OF MOLECULAR LIQUIDS

A cytotoxicity, optical spectroscopy and computational binding analysis of 4-[3-acetyl-5-(acetylamino)-2-methyl-2,3-dihydro-1,3,4-thiadiazole-2-yl]phenyl benzoate in calf thymus DNA

(2018) Subramani Karthikeyan et al.   LUMINESCENCE

Environmentally-friendly and ultrasonic-assisted preparation of two-dimensional ultrathin Ni/Co-NO 3 layered double hydroxide nanosheet for micro solid-phase extraction of phenolic acids from fruit juices

(2018) Roozbeh Soltani et al.   ULTRASONICS SONOCHEMISTRY

Investigation of the task oriented dual function inhibitors in gas hydrate inhibition: A review

(2018) Sana Yaqub et al.   FLUID PHASE EQUILIBRIA

Quantum chemical calculations and molecular modeling for methylene blue removal from water by a lignin-chitosan blend

(2018) Mashallah Rezakazemi et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Molecular modeling investigation on mechanism of phenol removal from aqueous media by single- and multi-walled carbon nanotubes

(2018) Mashallah Rezakazemi et al.   JOURNAL OF MOLECULAR LIQUIDS

Effects of enhanced clusterization of water at a surface of partially silylated nanosilica on adsorption of cations and anions from aqueous media

(2018) I.F. Mironyuk et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Synthesis, physicochemical and quantum chemical studies on a new organic NLO crystal: Cinnamoylproline

(2018) M. Venkateshan et al.   JOURNAL OF MOLECULAR STRUCTURE

Cation-functionalized silica nanoparticle as an adsorbent to selectively adsorb anionic dye from aqueous solutions

(2016) Libo Zhang et al.   Environmental Progress & Sustainable Energy

COSMO-RS for aqueous solvation and interfaces

(2016) Andreas Klamt   FLUID PHASE EQUILIBRIA

Computational and experimental studies of 2-[(E)-hydrazinylidenemethyl]-6-methoxy-4-[(E)-phenyldiazenyl]phenol and its tautomers

(2016) Koray Sayin et al.   JOURNAL OF MOLECULAR STRUCTURE

Structural analysis and investigation of molecular properties of Cefpodoxime acid , a third generation antibiotic

(2016) S. Suganthi et al.   JOURNAL OF MOLECULAR STRUCTURE

Adsorption of Neutral Red Dye from an Aqueous Solution Onto Natural Sepiolite Using Full Factorial Design

(2012) Semra Çoruh et al.   CLAYS AND CLAY MINERALS

Improving Adsorbent Properties of Cage-like Ordered Amine Functionalized Mesoporous Silica with Very Large Pores for Bioadsorption

(2009) Sandy Budi Hartono et al.   LANGMUIR