Publications

Electrochemical Ammonia Synthesis via Nitrogen Reduction Reaction on a MoS₂ Catalyst: Theoretical and Experimental Studies

The discovery of stable and noble-metal-free catalysts toward efficient electrochemical reduction of nitrogen (N₂ ) to ammonia (NH₃ ) is highly desired and significantly critical for the earth nitrogen cycle. Here, based on the theoretical predictions, MoS₂ is first utilized to catalyze the N₂ reduction reaction (NRR) under room temperature and atmospheric pressure. Electrochemical tests reveal that such catalyst achieves a high Faradaic efficiency (1.17%) and NH₃ yield (8.08 × 10^-11 mol s^-1 cm^-1 ) at -0.5 V versus reversible hydrogen electrode in 0.1 m Na₂ SO₄ . Even in acidic conditions, where strong hydrogen evolution reaction occurs, MoS₂ is still active for the NRR. This work represents an important addition to the growing family of transition-metal-based catalysts with advanced performance in NRR.

TiB2 thin film enabled efficient NH3 electrosynthesis at ambient conditions

CuO embedded chitosan spheres as antibacterial adsorbent for dyes

Comparative Study Of Insulin Regimens In Hospitalized Patients

Diabetes mellitus is a complicated, long-term illness that is impacted by a number of environmental and genetic variables. Type 2 diabetes is associated with insulin resistance that eventually leads to gradual increase in the requirement of insulin either endogenous or exogenous. Diminished β-cell function is an important part of the disease progression in Type 2 diabetes. In the past few years, new research has provided fresh insights into the pathogenesis of this disease, the importance of Glucagon has gained new perspective in type 2 Diabetes. The hormone insulin, which is produced by the Beta cells of pancreas, is essential for regulating blood sugar levels. Different insulin doses for basal and meals are used in basal-bolus, providing flexibility. Fixed-ratio insulin for meals and basal needs are combined in premix. Basal + OAD combines oral medicine with basal insulin. The efficiency and safety of several insulin regimens for the management of type 2 diabetes are examined and compared in this study.

Effects of temperature and polyols on the ciprofloxacin hydrochloride-mediated micellization of sodium dodecyl sulfate

Herein, a conductivity method was engaged to explore the effects of a fluoroquinolone drug, namely ciprofloxacin hydrochloride (CFH)/CFH + polyols (organic compounds with multiple hydroxyl groups (glucose and fructose)), on the aggregation phenomenon of sodium dodecyl sulfate (SDS) at different temperatures (298.15-318.15 K) while maintaining a gap of 5 K. In this study, the critical micelle concentration (cmc) of the SDS/SDS + CFH mixture in water and polyols media was determined from plots of the specific conductivity <i>versus</i> the concentration of SDS to gain knowledge of the effects of CFH/CFH + polyols on the micelle formation behavior of SDS. The cmc value of the surfactant decreases in the presence of CFH in an aqueous medium; thus, CFH favors the micellization of SDS. The cmc values of SDS and the SDS + CFH mixture were enhanced in polyols media. The cmc values of SDS/SDS + CFH show a U-shaped behavior with temperature. The counterion dissociation (<i>α</i>) of the pure surfactant is higher in the presence of the drug and is further enhanced through an increase in the CFH concentration in water/polyols media. Different thermodynamic parameters, such as the Gibbs free energy of micellization , standard enthalpy , entropy , different transfer energies and enthalpy-entropy compensation parameters of micellization were determined and illustrated in detail to compare these parameters between the pure SDS and SDS + CFH mixture in polyols media. The negative values of for the SDS/SDS + CFH mixture in all cases indicate spontaneous micelle formation. The and values indicate the presence of both hydrophobic and electrostatic interactions amongst the studied components.

4-(3,7-Dimethyl-4-oxo-4,5-dihydroisoxazolo[4,5-<i>d</i>]pyridazin-5-yl)benzenesulfonamide

The nine-membered fused-ring system of the title pyridazine derivative, C(13)H(12)N(4)O(4)S, is approximately planar (r.m.s. deviation 0.027 Å), and the benzene ring of the phenyl-sulfamide substituent is aligned at 43.5 (1)° to the fused-ring system. The amine group of the sulfonamide substituent forms an N-H⋯O hydrogen bond to the ketonic O atom of two neigboring mol-ecules to generate a chain running along the c axis.

Spectral features, electric properties, NBO analysis and reactivity descriptors of 2-(2-Benzothiazolylthio)-Ethanol: Combined experimental and DFT studies

A Simple but Efficient Catalytic Approach for the Degradation of Pollutants in Aqueous Media through <i>Cicer arietinum</i> Supported Ni Nanoparticles

Abstract Plant based materials are considered to have broad applications in the remediation of toxic materials. In this report, we present an environmental friendly and economic Cicer arietinum , named as (CP) supported for the synthesis of Ni nanoparticles (NPs) designated as Ni@CP. The in situ Ni@CP NPs were obtained using aqueous medium in the presence of sodium borohydride (NaBH 4 ) as a reducing agent. The prepared catalysts were applied for the hydrogenation/degradation of p -nitrophenol (PNP), o -nitrophenol (ONP), and 2,4-dinitrophenol (DNP), as well as congo red (CR), methyl orange (MO), methylene blue (MB) and rhodamine B (RB) dyes. The amount of total metal ions adsorbed onto the CP was evaluated by flame atomic absorption spectroscopy. The Ni@CP catalyst was characterized through PXRD, FTIR, FESEM and EDX analyses.

Structural and Photophysical Properties of (2E)-3-[4-(Dimethylamino) Phenyl]-1-(Naphthalen-1-yl) Prop-2-en-1-One (DPNP) in Different Media

Engineering tunable conductivity, p-n junction and light-harvesting semi-conductivity of graphene oxide by fixing reduction mood only

Organic additives and pharmaceutical excipients as cloud point modifiers in amitriptyline hydrochloride solutions

CCDC 921280: 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.

Effect of self-healing on zeolite-immobilized bacterial cementitious mortar composites

(Z)-3-(2-Nitrophenyl)-2-(4-methylphenyl)acrylonitrile

(2Z)-3-(2-Nitrophenyl)-2-(4-methylphenyl)acrylonitrile (3) was prepared by Knoevenagel condensation of 2-nitrobenzaldehyde 1 and 4-methylphenylacetonitrile 2 in ethanol using KOH as a base [1,2].[...]

Green‐Chemistry‐Inspired Synthesis of Cyclobutane‐Based Hole‐Selective Materials for Highly Efficient Perovskite Solar Cells and Modules

Abstract Hybrid lead halide perovskite solar cells (PSCs) have emerged as potential competitors to silicon‐based solar cells with an unprecedented increase in power conversion efficiency (PCE), nearing the breakthrough point toward commercialization. However, for hole‐transporting materials, it is generally acknowledged that complex structures often create issues such as increased costs and hazardous substances in the synthetic schemes, when translated from the laboratory to manufacture on a large scale. Here, we present cyclobutane‐based hole‐selective materials synthesized using simple and green‐chemistry inspired protocols in order to reduce costs and adverse environmental impact. A series of novel semiconductors with molecularly engineered side arms were successfully applied in perovskite solar cells. V1366 ‐based PSCs feature impressive efficiency of 21 %, along with long‐term operational stability under atmospheric environment. Most importantly, we also fabricated perovskite solar modules exhibiting a record efficiency over 19 % with an active area of 30.24 cm 2 .

CCDC 778076: 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.

New Opportunities in Metal‐Organic Framework Catalysis: From Bifunctional to Frustrated Lewis Pairs Catalysis

This article highlights novel prospects for metal-organic frameworks (MOFs) in heterogeneous catalysis as having frustrated Lewis acid-base pairs (FLPs) or as bifunctional acid-base solid catalysts able to activate molecular hydrogen. Starting from the extensive application MOFs as Lewis acid and Lewis base catalysts, this article uses catalytic hydrogenation to briefly summarize the efforts made to heterogenize boron and amine in MOFs to mimic molecular FLP systems. The core of this concept is based on recent findings which demonstrate the ability of two commonly used MOFs, namely UiO-66 and MIL-101, to catalyze the selective hydrogenation of polar double X=Y bonds at moderate H₂ pressures below 10 bar. The influence of electron-donating, the withdrawal of substituents on the linker, and the aniline poisoning effect highlight the significance of Lewis acid sites, while density-functional theory calculations indicate the heterolytic H-H bond cleavage at the MOF metal oxo clusters. It is expected that this new perspective on MOFs as solid FLP systems will spur further research to explore and define the potential of dual sites in the catalytic activation of small molecules.

Contributors