Publications

CCDC 981028: 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.

Novel Use of Poly(3,4-ethylenedioxythiophene) Nanoparticles for Fluorescent Nucleic Acid Detection

In this paper, we demonstrate the novel use of poly(3,4-ethylene dioxythiophene) (PEDOT) nanoparticle as a very effective fluorescent sensing platform for the detection of nucleic acid sequences. The principle of the assay lies in the fact that the adsorption of the fluorescently labeled single-stranded DNA (ssDNA) probe by PEDOT nanoparticle leads to substantial fluorescence quenching, followed by specific hybridization with the complementary region of the target DNA sequence. This results in desorption of the hybridized complex from PEDOT nanoparticle surface and subsequent recovery of fluorescence. A detection limit as low as 30 pM could be achieved in this sensing system. We also demonstrate its application for multiplexed detection of nucleic acid sequences. Furthermore, this sensing system can realize the detection of single-base mismatch even in multiplexed format. It is of importance to note that the successful use of this sensing platform in human blood serum system is also demonstrated.

CCDC 750661: 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.

Tuning the surface properties of Fe3O4 by zwitterionic sulfobetaine: application to antifouling and dye removal membrane

Molecular Design and Operational Stability: Toward Stable 3D/2D Perovskite Interlayers

Despite organic/inorganic lead halide perovskite solar cells becoming one of the most promising next-generation photovoltaic materials, instability under heat and light soaking remains unsolved. In this work, a highly hydrophobic cation, perfluorobenzylammonium iodide (5FBzAI), is designed and a 2D perovskite with reinforced intermolecular interactions is engineered, providing improved passivation at the interface that reduces charge recombination and enhances cell stability compared with benchmark 2D systems. Motivated by the strong halogen bond interaction, (5FBzAI)₂PbI₄ used as a capping layer aligns in in-plane crystal orientation, inducing a reproducible increase of ≈60 mV in the <i>V</i> _oc, a twofold improvement compared with its analogous monofluorinated phenylethylammonium iodide (PEAI) recently reported. This endows the system with high power conversion efficiency of 21.65% and extended operational stability after 1100 h of continuous illumination, outlining directions for future work.

Nanomaterial-based biosensors for environmental and biological monitoring of organophosphorus pesticides and nerve agents

Mixtures of antidepressant amphiphilic drug imipramine hydrochloride and anionic surfactant: Micellar and thermodynamic investigation

Abstract Aggregation as well as thermodynamic behavior of amphiphilic imipramine hydrochloride (IMH) drug (antidepressant) and anionic surfactant (sodium dodecyl sulfate [NaDS] as well as sodium dodecylbenzenesulfonate [NaDBS]) mixtures as a function of solution composition in aqueous solutions have been evaluated by conductometry method at different temperatures. Surfactant (NaDS and NaDBS) employed in the current study is anionic in nature. Various theoretical models such as Clint, Rubingh, Motomura, and Rodenas were employed to gain information regarding the type of interaction between the components in the solution mixtures. The value of micellar mole fraction evaluated by different utilized models is found to be more for IMH‐NaDBS mixtures in comparison with IMH‐NaDS mixtures, signifying that participation of NaDBS is more in mixed micelles as compared with NaDS. Owing to the different charge of employed drug and surfactant, which sources high synergistic results in the mixed system comparative to the possessions of their pure compounds, means here anionic surfactants were elected in favor of the quantitation of cationic drug. The value of interaction parameters ( β ) was also evaluated by employing the Rubingh's model. The values of Gibbs free energy (∆ G 0 m ) for all systems attained to be negative in all studied systems showing that the systems are spontaneous in nature.

List of contributors

3-Amino-1-(3,4-dimethoxyphenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile

In the title compound, C(24)H(19)N(3)O(2), the partially saturated ring adopts a distorted half-chair conformation with the methyl-ene-C atom closest to the amino-benzene ring lying 0.664 (3) Å out of the plane defined by the five remaining atoms (r.m.s. deviation = 0.1429 Å. The dihedral angle [32.01 (10)°] between the benzene rings on either side of this ring indicates a significant fold in this part of the mol-ecule. The dimeth-oxy-substituted benzene ring is almost orthogonal to the benzene ring to which it is attached [dihedral angle = 72.03 (9)°]. The mol-ecule has been observed previously as the major component of a 1:19 co-crystal with 2-amino-4-(3,4-dimeth-oxy-phen-yl)-5,6-dihydro-benzo[ha]quinoline-3-carbonitrile [Asiri et al. (2011). Acta Cryst. E67, o2873-o2873]. Supra-molecular chains with base vector [201] are formed in the crystal structure via N-H⋯O hydrogen bonds between the amino H atoms of one mol-ecule inter-acting with the meth-oxy O atoms of a neighbouring mol-ecule. The chains are linked into a three-dimensional architecture by C-H⋯π inter-actions.

Sensitive detection and imaging of endogenous peroxynitrite using a benzo[d]thiazole derived cyanine probe

Kinetic Behavior of Cobalt Nanoparticles Facilitated by Cationic Surfactant

In this report, spectrophotometric, kinetic, and structural analysis has been carried out for the formation of cobalt nanoparticles (CoNPs) using 4-aminophenol as reducing agent. The localized surface plasmon resonance band (SPR) of cobalt nanoparticles in the UV–vis spectrum is used to determine the rate of formation of cobalt nanoparticles and assess the beginning of the oxidation process. The effect of cobalt nitrate, 4-aminophenol and TTAB concentration was investigated on the growth rate of cobalt nanoparticles. CoNPs were characterized by means of UV–vis, field emission scanning electron microscope (FESEM), and energy dispersive spectroscopy (EDS). The data obtained in this work provide valuable information on the rate of reactions at the nanoscale.

Metal–organic frameworks (MOFs) composite of polyaniline-CNT@aluminum succinate for non-enzymatic nitrite sensor

Sulfonamides containing curcumin scaffold: Synthesis, characterization, carbonic anhydrase inhibition and molecular docking studies

High‐Performance Non‐Enzyme Hydrogen Peroxide Detection in Neutral Solution: Using a Nickel Borate Nanoarray as a 3D Electrochemical Sensor

It is highly attractive to construct natural enzyme-free nanoarray architecture as a 3D catalyst for hydrogen peroxide detection due to its great specific surface area and easy accessibility to target molecules. In this communication, we demonstrate that nickel borate nanoarray supported on carbon cloth (Ni-Bi/CC) behaves as an efficient catalyst electrode for H₂ O₂ electro-reduction in neutral media. As a non-enzymatic electrochemical H₂ O₂ sensor, such Ni-Bi/CC shows superior sensing performances with a fast response time (less than 3 s), a low detection limit (0.85 nm, S/N=3), and a high sensitivity (18320 μA mm cm^-2 ). Importantly, it also demonstrates favourable reproducibility and long-term stability.

CCDC 1529588: 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.

Electrochemical studies of N,N-bis pyrazinyl 3,4,9,10 - perylenebis (dicarboximide) (PyPD ) on Pt electrode

The electrochemical studies of N, N – bis(pyrazinyl) – 3, 4, 9, 10 – perylene bis (dicarboximide) (PyPD) dye has been carried out on Pt electrode using cyclic voltammetry and convolution deconvolution voltammetry combined with digital simulation technique at a platinum electrode in 0.1 mol L-1 tetrabutylammonium perchlorate (TBAP) in acetonitrile solvent (CH3CN). The compound under consideration was reduced via consumption of two sequential electrons to form radical anion and dianion (EE mechanism). The electrode reaction pathway and the electrochemical parameters of the investigated compound were determined using cyclic voltammetry and convolution – deconvolution transforms. The extracted electrochemical parameters were verified and confirmed via digital simulation method.

Interconnected Network of Core–Shell CoP@CoBiPi for Efficient Water Oxidation Electrocatalysis under Near Neutral Conditions

Developing earth-abundant electrocatalysts for efficient and stable water oxidation under near neutral conditions is of great importance but still remains a key challenge. Herein, we demonstrate the development of an interconnected network of core-shell CoP@CoBiPi through anodic polarization of a CoP nanoarray in potassium borate aqueous electrolyte (KBi). This 3 D CoP@CoBiPi exhibits high catalytic activity for water oxidation at pH 9.2 and needs an overpotential (η) of only 410 mV to drive a geometrical catalytic current density of 10 mA cm^-2 , with a high turnover frequency of 819 h^-1 at an overpotential of 610 mV. Remarkably, this catalyst also demonstrates high long-term electrochemical stability with its activity being maintained for at least 27 h in KBi. This study provides us an attractive earth-abundant 3 D catalyst electrode for water-splitting devices toward efficient and stable water oxidation under benign conditions.

4-{(4<i>Z</i>)-4-[(2<i>Z</i>)-3-(4-Fluoroanilino)-1-hydroxybut-2-en-1-ylidene]-3-methyl-5-oxo-4,5-dihydro-1<i>H</i>-pyrazol-1-yl}benzenesulfonamide

In the title compound, C(20)H(19)FN(4)O(4)S, the pyrazole and benzene-sulfonamide rings are coplanar [dihedral angle = 5.02 (15)°] but this planarity does not extend over the entire mol-ecule, the dihedral angle between the terminal six-membered rings being 33.24 (14)°. Intra-molecular hy-droxy-hy-droxy O-H⋯O and amine-hy-droxy N-H⋯O hydrogen bonds, as a well as a tight C-H⋯O(carbon-yl) inter-action, lead to a sequence of three fused S(6) rings. Supra-molecular chains along the a axis feature in the crystal packing; these chains are stabilized by amine-sulfonamide N-H⋯O and amine-pyrazole N-H⋯N hydrogen bonds.