Publications

The adsorptive removal of Cr(VI) ions and antibacterial activity studies on hydrothermally synthesized iron oxide and zinc oxide nanocomposite

Sensitive Cr³⁺ sensor based on novel poly(luminol-<i>co</i>-1,8-diaminonaphthalene)/CeO₂/MWCNTs nanocomposites

In this study, poly(luminol-<i>co</i>-1,8-diaminonaphthalene) (PLim-DAN) was synthesized and subsequently modified with MWCNTs and CeO₂ NPs. The synthesized nanocomposites were analyzed using IR, SEM, TEM, and XRD. Furthermore, a comprehensive set of thermal behavior measurements were taken using TGA/DTG analysis. Next, the electroactivity of the developed nanocomposites was tested as an electrochemical sensor to measure the concentration of Cr³⁺ ions in phosphate buffers. The GCE adapted with the PLim-DAN/CeO₂/CNTs-10% nanocomposite (NC) exhibited the highest current response among the other compositions and copolymers. The fabricated nanocomposite sensor showed high sensitivity, with a value of 19.78 μA μM^-1 cm^-2, and a low detection limit of 4.80 ± 0.24 pM. The analytical performance was evaluated by plotting a current calibration curve <i>versus</i> the concentration of Cr³⁺ ions. It was found to be linear (<i>R</i>² = 0.9908) over the range of 0.1 nM to 0.1 mM, identified as the linear dynamic range (LDR). This electrochemical sensor demonstrated that it could be a useful tool for environmental monitoring by accurately detecting and measuring carcinogenic Cr³⁺ ions in real-world samples.

DFT calculations and experimental FT-IR, FT-Raman, NMR, UV–Vis spectral studies of 3-fluorophenylboronic acid

CCDC 786654: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Polyaniline/graphene/carbon nanotubes nanocomposites for sensing environmentally hazardous 4-aminophenol

(<i>Z</i>)-Ethyl 2-chloro-2-[2-(4-methylphenyl)hydrazinylidene]acetate

The mol-ecule of the title compound, C11H13ClN2O2, is approximately planar (r.m.s. deviation = 0.099 Å for non-H atoms) and adopts a Z conformation about the C=N double bond. In the crystal, mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds to the same O-atom acceptor, forming zigzag chains propagating along [010]. These inter-actions give rise to R2(1)(6) loops.

4-(5-Oxo-3-phenyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)benzenesulfonamide

With respect to the aliphatic planar five-membered ring (r.m.s. deviation = 0.011 Å) of the title compound, C(15)H(13)N(3)O(2)S, the phenyl ring is aligned at 6.9 (1)° and the phenyl-ene ring at 2.4 (1)°, so that the three rings are nearly coplanar. The amino group has the N atom in a pyramidal geometry; the group is a hydrogen-bond donor to the sulfonyl O atom of one mol-ecule and to the ketonic O atom of another mol-ecule, resulting in the formation of a layer parallel to the bc plane.

Photodegradation of Rhodamine 6G and phenol red by nanosized TiO2 under solar irradiation

Titanium dioxide nanoparticles are used in various applications, including environmental photocatalysis, solar cells and memory devices. In this study, we present the photodegradation of Rhodamine 6G and phenol red, employing heterogeneous photocatalytic process under solar irradiation. The experiments were carried out to study the effects of various parameters (i.e. the effect of the anchoring groups on the catalyst, concentration of the n-TiO2 semiconductor). The n-TiO2 was synthesized by a sol–gel process and characterized by SEM. When samples of n-TiO2 of different sizes were encapsulated with eriochromycine dye the quantum size effect is observed in the visible region of the spectrum. The rate of degradation was estimated from the residual concentration spectrophotometrically. Phenol red showed higher degradation than Rhodamine 6G which can be attributed to its sulfonic and hydroxyl anchoring groups. The photodegradation showed pseudo-first-order kinetics.

Synthesis, molecular structure, spectral investigation on (E)-1-(4-bromophenyl)-3-(4-(dimethylamino)phenyl)prop-2-en-1-one

A multispectroscopic and molecular docking investigation of the binding interaction between serum albumins and acid orange dye

Impedimetric humidity and temperature sensing properties of the graphene–carbon nanotubes–silicone adhesive nanocomposite

Unravelling the unfolding pathway of human Fas-activated serine/threonine kinase induced by urea

Fas-activated serine/threonine kinase (FASTK) is a mitochondria-associated nuclear protein that inhibits Fas- and UV-induced apoptosis. This protein is generally activated during Fas-mediated apoptosis by phosphorylating a nuclear RNA-binding protein T-cell intracellular antigen-1 and thus considered as a modulator of apoptosis. In the present study, we have examined the equilibrium unfolding and conformational stability of the kinase domain of FASTK (FASTK_353-444<b>)</b>. The kinase domain of FASTK_353-444 was cloned, expressed, and purified. The folding ↔ unfolding transitions of urea-induced denaturation was monitored with the help of circular dichroism, intrinsic fluorescence, and UV absorption spectroscopies. Analysis of transition curves obtained from different probes revealed a coincidence of denaturation curves, suggesting that folding/unfolding of FASTK follows a two-state process with the midpoint (<i>C</i>_m) value at 3.50 ± 0.1 M. Urea-induced denaturation curves were further analyzed to estimate change in the Gibbs free energy in the absence of urea (Δ<i>G</i>_D⁰) associated with the equilibrium of denaturation. To get atomistic insights into the urea-induced denaturation of FASTK, we performed an all-atom molecular dynamics simulation for 100 ns. A close agreement was noticed between experimental and computational studies. This study will help to understand the unfolding mechanism and structural stability of the kinase domain of FASTK.Communicated by Ramaswamy H. Sarma.

CCDC 956763: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Synthesis, antimicrobial, cytotoxic and in silico studies of pyridine-quinazolin-4(3H)-one hybrids

FT-IR, FT-Raman, NMR, UV and quantum chemical studies on monomeric and dimeric conformations of 3,5-dimethyl-4-methoxybenzoic acid

High performance polyaniline/vanadyl phosphate (PANI–VOPO4) nano composite sheets prepared by exfoliation/intercalation method for sensing applications

Spectral properties and micellization of 1-(2,5-Dimethyl-thiophen-3-yl)-3-(2,4,5-trimethoxy-phenyl)-propenone (DTTP) in different media

Modulation of Aggregation Behaviour of Amphiphlic Drug and Surfactant Mixture under the Influence of Neutral Polymer