F. Buazar

KMSU-World's Top 2% Most-Cited Researcher

Ab initio and DFT molecular orbital calculations are used to determine singlet–triplet energy splits, ΔEs–t,X, as well as relative energies, in the carbenic reactive intermediates X–C2N, at seven levels of theory: B3LYP/6-31G*, MP2/6-31G*, B3LYP/6-311++G**, MP2/6-311+G*, MP3/6-311G*, MP4(SDTQ)/6-311++G** and QCISD(T)/6-311++G**; for X=H, NH2, CN an...

Brass rods (3 mm × 30 mm) are directly converted into brass nanoparticles through a modified arc method, at 100 A, and in five different media. The X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDX), and scanning electron microscopy (SEM) data show strong dependence of nanoparticle sizes and their compositions on the media employed...

Six ground state triplet germylenes, with HGeX and GeX2 formulae, are reached at QCISD(T)/6-311++G** and B3LYP/6-311++G** levels of theory (X = Li, Na, and K). Their corresponding less stable electronic isomers appears as singlet germylene minima. Scanning Ф as a function of energy for every triplet species gives two energy minima, separated by sig...

Heavier atom containing X 2SiC2, and X 2GeC2 cyclopropenylidenes transform into new silylenes, germylenes, and carbenogermylenes at DFT and ab initio levels (X = H, CN, NH2, and OMe). The number of transformations or rearrangements appear roughly proportional to the covalent radii of the group 14 elements (Ge > Si > C).

In this study, we investigate the adsorption behavior of three benzophenone derivatives, namely 2,4-Dihydroxybenzophenone (benzophenone-1; BP-1), 2,2′,4,4′-tetrahydroxybenzophenone (benzophenone-2; BP-2), and 2-hydroxy-4-methoxybenzophenone (benzophenone-3; BP-3) on the surfaces of graphene oxide (GO) using density functional theory method. The geo...

Green nanocatalysts play a crucial role in organic synthesis. In this study, a novel approach utilizing marine diatom extract is presented for the production of tin oxide nanoparticles (SnO 2 NPs). These NPs possess distinctive characteristics, including crystalline properties, a spherical shape, and an average size of 20 ± 2 nm. The reduction and...

This study presents the preparation of nickel oxide nanoparticles (NiO NPs) in the presence of marine seaweed kappa‐carrageenan (κ‐carrageenan) polysaccharide as a green stabilizer and coating agent under optimal conditions. Thermal gravimetric analyzer (TGA) and Fourier transform infrared (FTIR) results revealed thermal stability and the presence...

Haloacetonitriles (HANs) are hazardous water disinfection by-products due to their adverse health effects. In this study, the interaction and adsorption of the key HAN pollutants on the fullerene C20 surface were investigated by density functional theory (DFT). Thus, the pristine structures of fullerene, four HANs, and their complexes were geometri...

This study elucidates the synthesis of an eco-friendly titanium dioxide (TiO2)-clay nanocomposite derived from naturally occurring carbohydrates. The monosaccharide glucose and soluble starch function as both reducing and stabilizing agents in the course of the reaction. The synthesis of TiO2-clay nanocomposites was empirically ascertained through...

Polycyclic aromatic hydrocarbons (PAHs) are major environmental concerns due to their high carcinogenic properties and resistance to decomposition. These substances accumulate in the soil and reach living organisms through agriculture/leaching or dust sources. Zero-valent iron nanoparticles (ZVI NPs) have high regenerative power to remove environme...

This study presents the green synthesis of TiO 2 -clay nanocomposite using an eco-friendly method based on carbohydrates. Glucose and soluble starch function as the bioreductant and stabilizer agent during the reaction, respectively. The UV-vis analysis ascertained the formation of TiO 2 -clay nanocomposite presenting a distinctive absorption peak...

This contribution presents the biosynthesis, physiochemical properties, toxicity and photocatalytic activity of biogenic CeO2 NPs using, for the first time, marine oyster extract as an effective and rich source of bioreducing and capping/stabilizing agents in a one-pot recipe. CeO2 NPs formation was initially confirmed through the color change from...

This contribution presents the biosynthesis, physiochemical properties, and biological activity of biogenic CeO2 NPs using, for the first time, marine oyster extract as an effective and rich source of bioreducing and capping/stabilizing agents in a one-pot recipe. CeO2 NPs formation was initially confirmed through the color change from light green...

This research presents a novel biological route for the biosynthesis of nickel oxide nanoparticles (NiO NPs) using marine macroalgae extract as a reducing and coating agent under optimized synthesis conditions. XRD and TEM analyses revealed that phytosynthesized NiO NPs are crystalline in nature with a spherical shape having a mean particle size of...

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

A novel core-shell magnetic-selenium nanocomposite (Fe3O4@SiO2@Se) was synthesized for fast and effective removal of Hg (II) ions from various industrial and environmental water samples. The composition, property, and structure of Fe3O4@SiO2@Se were characterized by spectral and microscopic techniques. The key parameters affecting the removal were...

This research presents a novel biological route for the biosynthesis of nickel oxide nanoparticles (NiO NPs) using marine macroalgae extract as a reducing and coating agent under optimized synthesis conditions. XRD and TEM analyses revealed that phytosynthesized NiO NPs are crystalline in nature with a spherical shape having a mean particle size of...

The present study reports the synergistic antibacterial activity of biosynthesized silver nanoparticles (AgNPs) with the aid of a combination of chitosan and seaweed-derived polyphenols as a green synthetic route. Under optimum synthesis conditions, the rapid color change from yellowish to dark brown and UV–visible absorption peak at 425 confirmed...

We report an ecofriendly synthetic approach for the fabrication of biogenic gold nanoparticles (AuNPs) using electron-rich sea cucumber extract as a bio-reductant and stabilizing agent in reducing gold cations into AuNPs at the optimal conditions. The produced AuNPs are spherical in shape with an average particle size of 11 ± 1.5 nm in transmission...

This study reports the synthesis and potential application of biocompatible silica nanoparticles for subgrade soil stabilization. Nanosilica preparation as a major component from wheat husk ash is systematically studied and confirmed by FTIR, ICP, XRD, and TEM analyses. The produced biogenic nanosilica showed an amorphous structure with an average...

A facile novel green methodology is presented for the synthesis of highly stable and well-dispersed copper oxide nanoparticles using aqueous wheat seed extract. Under optimal reaction conditions, the wheat seed extract-derived electron-rich biomolecules were functioned as a reducing and capping/ stabilizing agent. The ultraviolet-visible absorption...

A novel eco-friendly procedure was developed to produce safer, stable and highly pure zinc oxide nanoparticles (ZnO NPs) using microalgae Chlorella extract. The ZnO NPs were synthesized simply using zinc nitrate and microalgae Chlorella extract which conducted at ambient conditions. In this recipe, microalgae Chlorella extract acted as the reducing...

The effect of hydroxyapatite nanoparticles (HA NPs) contents on the antibacterial activity, physical, and mechanical properties of sodium alginate (SA) film was scrutinized. The samples were prepared via incorporation of three different concentrations of HA NPs (1%, 3%, and 5%) into alginate solution at ambient temperature. In all SA/HA matrices, H...

A novel biological method is proposed for producing ceramic alpha aluminum oxide nanoparticles using an extract of the algae Sargassum ilicifolium. The algal extract functions as a bioreducing as well as a stabilizer agent. The presence of an absorption peak at 227 nm, confirmed the formation of the aluminum oxide nanoparticles using a UV-visible s...

In this study, a simple and reliable method by gas chromatograph-mass spectrometry (GC-MS) was developed for the fast and regular identification of 3, 4-MDMA impurities in ecstasy tablets. In so doing, 8 samples of impurities were extracted by diethyl ether under alkaline condition and then analyzed by GC-MS. The results revealed high MDMA levels r...

• A facile green recipe was developed to synthesize highly pure, safe and durable magnetite nanoparticles (Fe3O4 Nps) in neutral medium using homemade starch-rich potato extract. • TGA and FTIR confirmed that functional groups in starch-rich potato aqueous extract act as the reducing agent and as a stabilizing layer on freshly formed magnetite Nps....

A facile green recipe was developed to synthesise highly pure, safe and durable zinc oxide nanoparticles (ZnO Nps) using homemade starch-rich potato extract. The ZnO Nps were synthesised using zinc nitrate and potato extract, and the whole reaction is carried out for 30 min at 80 °C. In the synthesis, starch-rich potato extract acted as the reducin...

A novel nanoadsorbent is synthesized through functionalization of hydroxyapatite with iron oxide (Fe 3 O 4 /HAP). It is applied as an efficient and economical adsorbent for green removal of toxic mercury (II) ions from water. Crystal structure and morphology of Fe 3 O 4 /HAP are characterized by XRD and SEM analyses. To its adsorption capabilities,...

In the current study, a novel green chemistry recipe is presented for elite phytosynthesis of magnetite nanoparticles (Fe3O4 NPs), using homemade starch-rich potato extract in water as the reaction medium. In this approach, starch-rich potato extract operates as the reducing agent and a stabilizing layer on newly fabricated Fe3O4 NPs. Furthermore,...

In this study, ZnO/HAP nanocomposite with excellent photocatalytic activities was successfully synthesized by sol–gel method and used for degradation of 2-mercaptobenzoxazole (MBO) as model of odorous mercaptan compound in water. To optimize the performance of ZnO/HAP photocatalytic capabilities, ZnO/HAP loading (0.05–0.3 g/L), irradiation time (1...

Degradation of carbon supported platinum catalysts is a major failure mode for the long term durability of high temperature proton exchange membrane fuel cells based on phosphoric acid doped polybenzimidazole membranes. With Vulcan carbon black as a reference, thermally treated carbon black and multi-walled carbon nanotubes were used as supports fo...

Size, purity, yield, and morphology of arc-synthesized nanosteel particles are altered by the employed currents (50, 80, and 100 A/cm2), as well as the media [nitrogen, open air, ethylene glycol, and distilled water saturated with polyvinylpyrrolidone (PVP)]. Nanoparticles (Nps) produced at 80 A/cm2 in distilled water, PVP-saturated distilled water...

We have discussed the fabrication of tungsten nanoparticles (W Nps) using arc discharge as a novel technique. Our research focused on optimizing operation parameters such as the applied current and media. The size, morphology and the crystalline phase (α- vs. β-W Nps) are altered by changing the applied currents (40–160 A), as well as the employed...

Thirteen heterofullerenes with (X)nC20−n formula are compared and constricted at MP2/6-311+G∗ and B3LYP/6-311+G∗ levels of theory (X=B, N, P; and n=2, 4, 5, 6, 10). The heats of atomization energies, band gaps (ΔEHOMO–LUMO), aromaticity, geometrical and conformational structures of these heterofullerenes strongly depend on their number of heteroato...

Arc-fabricated copper nanoparticles (Cu Nps) size, morphology and the crystalline structure, as well as the yields of Nps appear sensitive to the applied currents (50–160 A) in distilled water. The results indicate that the sizes of Cu Nps are directly proportional to the currents employed. At 50 A, TEM, XRD, and SEM analyses show fabrication of re...

F3CGe¨GeGeH, with two unpaired electrons, is the only triplet (t) ground state germylene found among 30 divalent species, with XHGe3 formula, at six reasonably high ab initio and DFT levels (X = H, NH2, SiH3, and CF3). Its corresponding singlet (s) appears at a higher energy while showing a negative force constant. The crossing angle (Ф) between th...

To optimize the arc fabrication of aluminum nanoparticles (Al Nps), six diverse media were probed including ethylene glycol (EG), distilled water, liquid nitrogen, gaseous nitrogen, sunflower oil, and tap water (all free of any surfactant or stabilizer). These were investigated at three different currents: 50, 100 and 150 A/cm2. EG at 50 A/cm2 prov...

Following our quest for silylenes and germylenes, we have reached at W shaped novel triplet disilyleno- and digermylenocarbenes through optimization of 2,3-di(X)disilacyclopropenylidenes and 2,3-di(X)digermacyclopropenylidenes, respectively, at five ab initio and DFT levels (M = Si, Ge; X = H, F, Cl, Br). Also, we have met the challenge of confinin...

Acyclic germylenes with XCCGeX formula, and singlet (Xs) and triplet (Xt) states are generated at ab initio and DFT levels, through free optimization of their corresponding cyclic singlet and triplet carbenes: 2,3-di(X)-2-germacyclopropenylidenes, 1s and 1t, respectively (X=F, Cl, and Br). The calculated frontier molecular orbitals, bond orders, NB...

DFT calculations predict the existence of three new triplet ground state silylenes: [(imino)-methylene]silylene, [(cyanoimino)methylene]silylene, and [(methoxyimino)methylene]silylene, with CNSiX formula (X = H, CN, and OMe, respectively). Discrepancies are found between DFT and some ab initio results.

Systematic studies are carried out on the multiplicity vs. the stability for 24 phospha-carbenes, C2XP, at seven levels of theory: B3LYP/6-31G**, B3LYP/6-311++G**, MP2/6-31G*, MP3/6-31G*, MP3/6-311+G**, MP4(SDTQ)/6-311++G** and QCISD(T)/6-311++G** (for XH, F, Cl and Br). Twelve of these carbenes are singlet (s) and the rest are in their triplet (t)...

Singlet–triplet energy separations in silylenes: C2HSiX (where X=H, F, Cl and Br), are compared and contrasted, at six levels of theory: HF/6-31G*, HF/6-311++G**, B3LYP/6-311++G**, MP2/6-311++G**, MP4 (SDTQ)/6-311++G** and QCISD (T)/6-311++G**. Four possible structures are considered for each singlet (s) and triplet (t) states of C2HSiX species: si...