The Performance Evaluation of Meso-Tetraphenyl Porphyrin and Azo Dyes as Photosensitizers in Dye-sensitized Solar Cells.

The photovoltaic properties of five different mono-azo function and meso-tetraphenyl porphyrin dyes have been investigated by computational DFT/TDDFT calculations and measurement of the J-V properties of their cells. The photovoltaic efficiency of the cells based on these dyes were determined by both experimental and theoretical methods. The efficiency-to-cost ratios of the azo-dye cells showed that they could be cheaper substitutes to porphyrin-based cells.

Antidiabetes and antioxidant potential of Schiff bases derived from 2-naphthaldehye and substituted aromatic amines: Synthesis, crystal structure, Hirshfeld surface analysis, computational, and studies.

Three Schiff bases were synthesised by the condensation reaction between 2-napthaldehyde and aromatic amines to afford -mesityl-1-(naphthalen-2-yl)methanimine (), ()--(2,6-dimethylphenyl)-1-(naphthalen-2-yl)methanimine () and -(2,6-diisopropylphenyl)-1-(naphthalen-2-yl)methanimine (). The synthesised compounds were characterised using UV-visible, NMR (C & H), and Fourier transform infrared spectroscopic methods while their purity was ascertained by elemental analysis. Structural analysis revealed that the naphthalene ring is almost coplanar with the imine functional group as evident by C1-C10-C11-N1 torsion angles of 176.

Heptanuclear Silver Hydride Clusters as Catalytic Precursors for the Reduction of 4-Nitrophenol.

We report on the design, synthesis, and characterization of the first silver hydride clusters solely protected and stabilized by dithiophosphonate ligands and their application for the in situ generation of silver nanoparticles towards the catalytic reduction of 4-nitrophenol in an aqueous system. The synthesis of the silver monohydride cluster involves the incorporation of an interstitial hydride using sodium borohydride. Poly-nuclear magnetic resonance and mass spectrometry were used to establish the structural properties.

Drug Discovery for Using Structure-Based Computer-Aided Drug Design Approach.

Developing new, more effective antibiotics against resistant that inhibit its essential proteins is an appealing strategy for combating the global tuberculosis (TB) epidemic. Finding a compound that can target a particular cavity in a protein and interrupt its enzymatic activity is the crucial objective of drug design and discovery. Such a compound is then subjected to different tests, including clinical trials, to study its effectiveness against the pathogen in the host.

stem bark extract anchored on functionalized MWCNT-spent molecular sieve nanocomposite for the biosorption of hexavalent chromium.

nsufficient innovative research on the sequestration of Cr(VI) from the aquatic ecosystem has made Cr(VI) a recalcitrant water contaminant that often affects water sources. In this work, a novel plant anchor-nanocomposite was fabricated from the spent molecular sieve, multi-walled carbon nanotubes, and the extract from the stem bark of . It was envisaged that due to the phytochemical constituent of the modifier, this nanocomposite could also act as potent adsorbents for the treatment of Cr(VI) polluted water.

Enhanced sequestration of Cr(VI) onto plant extract anchored on carbon-coated aluminium oxide composite.

Aluminium oxide (ALU) and carbon-coated aluminium oxide modified with Kigelia africana leaf extract (KECA) were employed for the removal of toxic hexavalent chromium (Cr(VI)) from the aqueous phase. The adsorbents (ALU and KECA) were characterized by TGA, BET, FESEM, FTIR, Raman and XRD spectroscopic techniques. The potential of KECA and ALU to remove Cr(VI) from simulated wastewater was optimum at pH 2, sorbent dose of 0.

Thermodynamics, kinetics and isothermal studies of chromium (VI) biosorption onto stem bark extract coated shale and the regeneration potentials.

A low-cost adsorbent ( stem bark extract coated shale (DSMS)) comprising pristine shale (PSH) coated with stem bark extract was prepared and utilized for the adsorption of Cr(VI). The DSMS and PSH were characterized by the SEM, XRD, FTIR, EDX, TGA, and BET. The batch adsorption experiment results showed that DSMS exhibited an excellent ability to adsorb chromium with a maximum removal occurring at pH 2, dosage of 0.

Crystal, spectroscopic and quantum mechanics studies of Schiff bases derived from 4-nitrocinnamaldehyde.

Two Schiff bases, (E)-1-(4-methoxyphenyl)-N-((E)-3-(4-nitrophenyl)allylidene)methanamine (compound 1) and (E)-N-((E)-3-(4-nitrophenyl)allylidene)-2-phenylethanamine (compound 2) have been synthesized and characterized using spectroscopic methods; time of flight MS, H and C NMR, FT-IR, UV-VIS, photoluminescence and crystallographic methods. The structural and electronic properties of compounds 1 and 2 in the ground state were also examined using the DFT/B3LYP functional and 6-31 + G(d,p) basis set, while the electronic transitions for excited state calculations were carried out using the TD-DFT/6-31 + G(d,p) method. The Schiff base compounds, 1 and 2 crystallized in a monoclinic crystal system and the P2/c space group.

Nanocrystalline cellulose isolated from discarded cigarette filters.

We report the isolation of nanocrystalline cellulose (NCC) produced from discarded cigarette filters (DCF). The DCF were processed into cellulose via ethanolic extraction, hypochlorite bleaching, alkaline deacetylation, and then converted into NCC by sulfuric acid hydrolysis. The morphological structures of the isolated NCC established with TEM showed that the nanocrystals were needle-like with a mean length of 143nm.