Publications

CCDC 1545572: 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.

Fabrication of selective and sensitive Pb2+ detection by 2,2′-(−(1,2-phenylenebis(azaneylylidene))bis(methaneylylidene))diphenol by electrochemical approach for environmental remediation

Recent Progress in Cobalt‐Based Heterogeneous Catalysts for Electrochemical Water Splitting

Water electrolysis is considered as the most promising technology for hydrogen production. Much research has been devoted to developing efficient electrocatalysts for hydrogen production via the hydrogen evolution reaction (HER) and oxygen production via the oxygen evolution reaction (OER). The optimum electrocatalysts can drive down the energy costs needed for water splitting via lowering the overpotential. A number of cobalt (Co)-based materials have been developed over past years as non-noble-metal heterogeneous electrocatalysts for HER and OER. Recent progress in this field is summarized here, especially highlighting several important bifunctional catalysts. Various approaches to improve or optimize the electrocatalysts are introduced. Finally, the current existing challenges and the future working directions for enhancing the performance of Co-implicated electrocatalysts are proposed.

Acetone sensor based on solvothermally prepared ZnO doped with Co3O4 nanorods

This paper describes a reliable and sensitive method for sensing dissolved acetone using doped nanomaterials. Large-scale synthesis of ZnO nanorods (NRs) doped with Co₃O₄ was accomplished by a solvothermal method at low temperature. The doped NRs were characterized in terms of their morphological, structural, and optical properties by using field-emission scanning electron microscopy coupled with energy-dispersive system, UV-Vis., Fourier transform IR, X-ray diffraction, and Xray photoelectron spectroscopy. The calcinated (at 400 °C) doped NRs are shown to be an attractive semiconductor nanomaterial for detecting acetone in aqueous solution using silver electrodes. The sensor exhibits excellent sensitivity, stability and reproducibility. The calibration plot is linear over a large concentration range (66.8 μM to 0.133 mM), displays high sensitivity (~3.58 μA cm^-2 mM^-1) and a low detection limit (~14.7 ± 0.2 μM; at SNR of 3). FigureThe present study describes a simple, reliable, accurate, sensitive, and cost effective method for the detection of acetone using solvothermally prepared semiconductor co-doped nanomaterials.

An amorphous FeMoS₄ nanorod array toward efficient hydrogen evolution electrocatalysis under neutral conditions

It is highly attractive to develop efficient hydrogen-evolving electrocatalysts under neutral conditions. In this communication, we report an amorphous FeMoS₄ nanorod array on carbon cloth (FeMoS₄ NRA/CC) prepared by hydrothermal treatment of an FeOOH nanorod array on carbon cloth (FeOOH NRA/CC) in (NH₄)₂MoS₄ solution. As a 3D electrode for hydrogen evolution electrocatalysis, this FeMoS₄ NRA/CC demonstrates superior catalytic activity and strong long-term electrochemical durability in 1.0 M phosphate buffered saline (pH: 7). It needs an overpotential of 204 mV to drive a geometrical current density of 10 mA cm^-2, which is 450 mV less than that for FeOOH NRA/CC. Density functional theory calculations suggest that FeMoS₄ has a more favourable hydrogen adsorption free energy than FeOOH.

Dopant‐Free Pyrene‐Based Hole Transporting Material Enables Efficient and Stable Perovskite Solar Cells

Dopant-free hole transporting materials (HTMs) is significant to the stability of perovskite solar cells (PSCs). Here, we developed a novel star-shape arylamine HTM, termed Py-DB, with a pyrene core and carbon-carbon double bonds as the bridge units. Compared to the reference HTM (termed Py-C), the extension of the planar conjugation backbone endows Py-DB with typical intermolecular π-π stacking interactions and excellent solubility, resulting in improved hole mobility and film morphology. In addition, the lower HOMO energy level of the Py-DB HTM provides efficient hole extraction with reduced energy loss at the perovskite/HTM interface. Consequently, an impressive power conversion efficiency (PCE) of 24.33 % was achieved for dopant-free Py-DB-based PSCs, which is the highest PCE for dopant-free small molecular HTMs in n-i-p configured PSCs. The dopant-free Py-DB-based device also exhibits improved long-term stability, retaining over 90 % of its initial efficiency after 1000 h exposure to 25 % humidity at 60 °C. These findings provide valuable insights and approaches for the further development of dopant-free HTMs for efficient and reliable PSCs.

CCDC 847165: 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.

CCDC 2038657: Experimental Crystal Structure Determination

Binary Mixtures of Sodium Salt of Ibuprofen and Selected Bile Salts: Interface, Micellar, Thermodynamic, and Spectroscopic Study

With the intention to explore bile salts applications as drug delivery vehicles, the mixed interfacial as well as micellar behavior of the sodium salt of ibuprofen (NaIbuF) and bile salts mixtures in aqueous/electrolyte solutions has been evaluated by tensiometric method at 298.15 K. Bile salts (sodium cholate (NaC) and sodium deoxycholate (NaDC)) used in the present study are anionic in nature and form small micelles. Various theoretical models such as Clint, Rubingh, and Rosen were utilized to acquire information concerning the nature of interaction among the components in the solution as well as at the interface. Because of the presence of inorganic salt (100 mmol·kg–1 NaCl) a decrease in the surface charge of the micelles takes place and ensuing micellization occurs at poorer concentration. The value of the micellar mole fraction (X1m) is found to be greater for NaIbuF + NaDC mixtures in comparison to NaIbuF + NaC mixtures, signifying that participation of NaDC is greater in mixed micelles as compared to NaC. An attractive interaction was obtained in the micelle and at the interface, because it is obvious from interaction parameters (βm, βσ). The values of ΔG0m for all systems was negative in the absence as well as in the occurrence of salt. Micelle aggregation number (Nagg), estimated by means of steady-state fluorescence quenching studies, suggests that the contribution of bile salts was always greater than that of the NaIbuF. The micropolarity (I1/I3), Stern–Volmer binding constants (Ksv), and dielectric constant (Dexp) of mixtures also supported the synergistic behavior of the drug–bile salts mixed systems.

Green Synthesis, Characterization, Photophysical and Electrochemical Properties of Bis-chalcones

Donor-acceptor conjugated dienes (bis-chalcones) were synthesized via an ultrasonic radiation, accomplished by the reaction between 3-acetyl-2,5-dimethylthiophene/1 (2,5-dimethyl-furan-3-yl)- ethanone and terephthalaldehyde. Bis-chalcones were investigated with the aim to elucidate the contribution of their interaction with solvent molecules upon intramolecular charge transfer. The chemical structure of bis-chalcones was confirmed by elemental analysis, FT-IR, 1H NMR, 13C NMR and GC-MS spectral analysis. UV-visible and emission spectra indicated the properties of furan and thiophene bis-chalcones had a significant effect on the visible absorption and emission maxima. In addition, a pronounced effect on the absorption maxima and florescent maxima were observed upon increasing the solvent polarity.

CCDC 845474: 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.

Biomedical applications of iron oxide nanostructures

Iron oxide nanostructures including nanoparticles and nanorods have been widely used for numerous in vivo and vitro applications such as magnetic resonance imaging contrast enhancement, tissue repair and drug delivery. All these biomedical and bioengineering applications require that these nanostructures have high magnetisation values and size smaller then 100 nm with overall narrow particle size distribution. In addition, these applications need that the nanostructures have to be not only biocompatible but also non-toxic. To this end, the authors present a versatile approach for the synthesis of iron oxide nanostructures without organics/amines. Pure water is used as a solvent. The authors' simple and straightforward approach will enhance and improve the biomedical applications of these nanostructures. The method is absolutely new, cheap, environmentally benign and bio-friendly, which will make it suitable for large scale production.

Photochromic properties of (E)‐dicyclopropylmethylene‐(2,5‐dimethyl‐3‐furylethylidene)‐succinic anhydride doped in epoxy polymer film

Purpose To evaluate the photochromic performance of photochromic compounds in polymer matrices. Design/methodology/approach The epoxy resin doped with photochromic fulgide were prepared and the effect of UV irradiation were studied using spectrophotometer. The reversible reaction was effected using white light. The effect of heat was also determined. Findings A film of fulgide 1‐E doped in epoxy polymer was irradiated with UV light (366 nm), the film turned pink. The later colour was switched back to the original colour when the film was irradiated with a white light. The photocoloration and photobleaching obeyed first order rate equations with rate constants being 4.19×10 −3 s −1 and 2.86×10 −2 s −1 , respectively. It was found that the film showed a good fatigue resistance. Another film was preheated at 80°C for 1‐4 h. No change in the UV absorption spectra of the film was observed. Similarly, the photocoloration and photobleaching of the annealed film showed first order rate equations with rate constants being 8.77×10 −3 s −1 and 4.02×10 −2 s −1 , respectively. Interestingly, the photocoloration and photobleaching reactions of the annealed film were faster than those of the non‐annealed film. Research limitations/implications The epoxy resin doped photochromic fulgides described in the present paper was prepared and studied. The principle of study established can be applied to any type of resin or to any type of photochromic compounds. Practical implications The photochromic materials developed can be used for different applications, such as coatings and holography. Originality/value The method developed may be used to enhance the performance of photochromic materials.

Polymer Nanocomposite Membranes for Antifouling Nanofiltration

Fouling refers to the unwanted and undesirable attachment of biological macromolecules, inorganic, organic matter, and microorganisms on water contact surfaces. Fouling reduces the performance of devices involving these submerged surfaces and is considered the bottle-neck issue for various applications in the biomedical industry, food processing, and water treatment, especially in reverse osmosis (RO) desalination. Investigations have proven that nanocomposite membranes can exhibit enhanced antifouling performances and can be used for longer life times. The nanocomposite means addition of nanomaterials to main matrix at low loadings, exhibiting better properties compared to virgin matrix. In this review, a summarized description about related methods and their mechanisms for the fabrication of nanocomposite membranes with antifouling properties has been documented. Around 87 manuscripts including 10 patents were used to demonstrate the antifouling applications of of various nanocomposite membranes.

Development of sulfonated poly(vinyl alcohol)/aluminium oxide/graphene based ionic polymer-metal composite (IPMC) actuator

High-Efficiency and Durable Water Oxidation under Mild pH Conditions: An Iron Phosphate–Borate Nanosheet Array as a Non-Noble-Metal Catalyst Electrode

It is highly desired but still remains a key challenge to develop iron-based large-surface-area arrays as heterogeneous water oxidation catalysts that perform efficiently and durably under mild pH conditions for solar-to-hydrogen conversion. In this work, we report the in situ derivation of an iron phosphate-borate nanosheet array on carbon cloth (Fe-Pi-Bi/CC) from an iron phosphide nanosheet array via oxidative polarization in a potassium borate (KBi) solution. As a 3D catalyst electrode for water oxidation at mild pH, such a Fe-Pi-Bi/CC shows high activity and strong long-term electrochemical durability, and it only demands an overpotential of 434 mV to drive a geometrical catalytic current density of 10 mA cm^-2 with maintenance of its activity for at least 20 h in 0.1 M KBi. This study offers an attractive earth-abundant catalyst material in water-splitting devices toward the large-scale production of hydrogen fuels under benign conditions for application.

Methyl 2-benzyl-4-hydroxy-1,1-dioxo-1,2,3,4-tetrahydro-1λ⁶,2-benzothiazine-3-carboxylate

In the title compound, C(17)H(15)NO(5)S, the benzene ring of the fused-ring system is twisted by 11.67 (6)° with respect to the thia-zine ring. The atoms of the four-atom methyl ester group and the phenyl ring of the benzyl unit are inclined at 16.50 (7) and 44.52 (3)° with respect to the thia-zine ring. An intra-molecular O-H⋯O hydrogen bond gives rise to a six-membered S(6) ring motif. In the crystal, mol-ecules are extended through a C-H⋯O inter-action along the a axis. C-H⋯π inter-actions are also observed.

Highly Transparent, Thermally Stable, and Mechanically Robust Hybrid Cellulose-Nanofiber/Polymer Substrates for the Electrodes of Flexible Solar Cells

The polymer substrates of flexible solar cell (FSC) electrodes play a crucial role in determining the electrode performance as well as the device performance and reliability. However, most of the FSC electrode polymer substrates suffer from high coefficients of thermal expansion (CTE) and thermal instability when exposed to thermal-cycling impact. Here, a nanocellulose/epoxy hybrid substrate employing chemically modified cellulose nanofibers, demonstrating significantly improved thermal properties as well as high optical transparency, is presented. Benefiting from nanoscale morphology and surface functional groups of the cellulose nanofibers, which enable excellent compatibility and interfacial interaction with the epoxy matrix, the hybrid substrate’s thermal properties are significantly improved with a decreased CTE of 19 ppm/K, increased glass -transition temperature (Tg) of 71.8 °C, and increased half-life thermal decomposition temperature (Td,50%) of 376 °C. Concurrently, mechanical properties are greatly enhanced with increases in ultimate strength and ultimate strain by 41 and 121.5%, respectively. In particular, the hybrid substrates maintained their high transmittance of 89%@600 nm and demonstrated no transparency loss after the introduction of cellulose nanofibers. Moreover, the conductive layer of poly(3,4-ethylenedioxythiophene):polystyrenesulfonate deposited on the substrate retained a stable conductivity of around 835 S/cm without noticeable electrical degradation after withstanding the environmental thermal-cycling impact. With significantly improved thermal and mechanical properties as well as retained optical transparency and stable electrode conductivity, the use of this newly developed hybrid substrate may open opportunities for the fabrication of high-performance, low-cost FSCs.