14-Electron Redox Chemistry Enabled by Salen-Based π-Conjugated Framework Polymer Boosting High-Performance Lithium-Ion Storage.

A paucity of redox centers, poor charge transport properties, and low structural stability of organic materials obstruct their use in practical applications. Herein, these issues have been addressed through the use of a redox-active salen-based framework polymer (RSFP) containing multiple redox-active centers in π-conjugated configuration for applications in lithium-ion batteries (LIBs). Based on its unique architecture, RSFP exhibits a superior reversible capacity of 671.8 mAh g-1 at 0.05 A g-1 after 168 charge-discharge cycles. Importantly, the lithiation/de-lithiation performance is enhanced during operation, leading to an unprecedented reversible capacity of 946.2 mAh g-1 after 3500 cycles at 2 A g-1. The structural evolution of RSFP is studied ex situ using X-ray photoelectron spectroscopy, revealing multiple active C═N, C─O, and C═O sites and aromatic sites such as benzene rings. Remarkably, the emergence of C═O originated from C─O is triggered by an electrochemical process, which is beneficial for improving reversible lithiation/delithiation behavior. Furthermore, the respective strong and weak binding interactions between redox centers and lithium ions, corresponding to theoretical capacities of 670.1 and 938.2 mAh g-1, have been identified by density functional theory calculations manifesting 14-electron redox reactions. This work sheds new light on routes for the development of redox-active organic materials for energy storage applications.

Unraveling the synergism mechanistic insight of O-vacancy and interfacial charge transfer in WO3-x decorated on Ag2CO3/BiOBr for photocatalysis of water pollutants: Based on experimental and density functional theory (DFT) studies.

Photocatalysis has been widely used as one of the most promising approaches to remove various pollutants in liquid or gas phases during the last decade. The main emphasis of the study is on the synergy of vacancy engineering and heterojunction formation, two widely used modifying approaches, to significantly alter photocatalytic performance. The vacancy-induced Ag2CO3/BiOBr/WO3-x heterojunction system has been fabricated using a co-precipitation technique to efficiently abate methylene blue (MB) dye and doxycycline (DC) antibiotic. The as-fabricated Ag2CO3/BiOBr/WO3-x heterojunction system displayed improved optoelectronic characteristic features because of the rational combination of dual charge transferal route and defect modulation. The Ag2CO3/BiOBr/WO3-x system possessed 97% and 74% photodegradation efficacy for MB and DC, respectively, with better charge isolation and migration efficacy. The ternary photocatalyst possessed a multi-fold increase in the reaction rate for both MB and DC, i.e., 0.021 and 0.0078 min-1, respectively, compared to pristine counterparts. Additionally, more insightful deductions about the photodegradation routes were made possible by the structural investigations of MB and DC using density functional theory (DFT) simulations. This study advances the understanding of the mechanisms forming visible light active dual Z-scheme heterojunction for effective environmental remediation.

DFT and experimental studies of the facet-dependent oxygen vacancies modulated WS2/BiOCl-OV S-scheme structure for enhanced photocatalytic removal of ciprofloxacin from wastewater.

The present study explores visible light-assisted photodegradation of ciprofloxacin hydrochloride (CIP) antibiotic as a promising solution to water pollution. The focus is on transforming the optical and electronic properties of BiOCl through the generation of oxygen vacancies (OVs) and the exposure of (110) facets, forming a robust S-scheme heterojunction with WS2. The resultant OVs mediated composite with an optimal ratio of WS2 and BiOCl-OV (4-WS2/BiOCl-OV) demonstrated remarkable efficiency (94.3%) in the visible light-assisted photodegradation of CIP antibiotic within 1.5 h. The CIP degradation using 4-WS2/BiOCl-OV followed pseudo-first-order kinetics with the rate constant of 0.023 min-1, outperforming bare WS2, BiOCl, and BiOCl-OV by 8, 6, and 4 times, respectively. Density functional theory (DFT) analysis aligned well with experimental results, providing insights into the structural arrangement and bandgap analysis of the photocatalysts. Liquid chromatography-mass spectrometry (LC-MS) analysis utilized for identifying potentially degraded products while scavenging experiments and electron paramagnetic resonance (EPR) spin trapping analysis elucidated the S-scheme charge transfer mechanism. This research contributes to advancing the design of oxygen vacancy-mediated S-scheme systems in the realm of photocatalysis, with potential implications for addressing water pollution concerns.

Synthesis of millimeter-scale ZIF-8 single crystals and their reversible crystal structure changes.

Among various metal-organic frameworks (MOFs), the zeolitic imidazole framework (ZIF), constructed by the regular arrangement of 2-methylimidazole and metal ions, has garnered significant attention due to its distinctive crystals and pore structures. Variations in the sizes and shapes of ZIF crystals have been reported by changing the synthesis parameters, such as the molar ratios of organic ligands to metal ions, choice of solvents, and temperatures. Nonetheless, the giant ZIF-8 single crystals beyond the typical range have rarely been reported. Herein, we present the synthesis of millimeter-scale single crystal ZIF-8 using the solvothermal method in N,N-diethylformamide. The resulting 1-mm single crystal is carefully characterized through N2 adsorption-desorption isotherms, scanning electron microscopy, and other analytical techniques. Additionally, single-crystal X-ray diffraction is employed to comprehensively investigate the framework's mobility at various temperatures.

Millimeter-sized ZIF-8 single crystals were synthesized using the solvothermal method. These crystals exhibit a notable BET surface area of 1681 m²âˆ™g⁻¹ and demonstrate a reversible change in their crystal structure.

Exciton dynamics of an aggregation-induced delayed fluorescence emitter in non-doped OLEDs and its application as host for high-efficiency red phosphorescent OLEDs.

Aggregation-induced delayed fluorescence (AIDF) materials have great potential in non-doped OLEDs due to their high photoluminescence (PL) quantum efficiency in film, high exciton utilization in the aggregated state and negligible efficiency roll-off at high luminance. However, their efficient mechanism in OLEDs is not yet well understood. Here, the exciton dynamics are used to investigate the electroluminescence (EL) mechanism of an AIDF emitter (4-(10H-phenoxazin-10-yl)phenyl)-(9-phenyl-9H-carbazol-3-yl)methanone (CP-BP-PXZ) in detail. It can be seen that the high efficiency and negligible efficiency roll-off in non-doped OLEDs based on CP-BP-PXZ as the emitter are ascribed to the effective reverse intersystem crossing (RISC) from high level triplet T2 to singlet S1 in the aggregated state. Furthermore, CP-BP-PXZ also exhibits excellent properties as a phosphor host due to its good AIDF properties. Thus, high-efficiency red phosphorescent OLEDs with low roll-off efficiency are successfully fabricated based on CP-BP-PXZ as the host. The maximum external quantum efficiency (EQEmax) reaches 23% and is maintained at 21% at a luminance of 1000 cd m-2.

Rational design, structure properties, and synthesis strategies of dual-pore covalent organic frameworks (COFs) for potent applications: A review.

Dual-pore covalent organic frameworks (COFs) offer a molecular scaffold for introducing building blocks into periodically organized polygonal skeletons to produce fascinating structural features. The rapid development of this material has attracted intensive interest from researchers with diverse expertise. This review selects the leading scientific findings about dual-pore COFs and highlights their functions and perspectives on design, structure properties, and synthesis strategies. Dual-pore COFs, as newly hetero-pore COFs by integrating particular pores into one polygonal skeleton, have been compared to conventional COFs. Dual-pore COFs display hierarchical/heterogeneous porosities and homogeneous porosity, which endow them with exceptional features involving mass diffusion, charge transfer, and large surface area with abundant active sites. Additionally, the strategic dual-pore design by opting for different approaches, such as integration of [D2h + C2] symmetries, kagome-type lattices, and other symmetric arrangements of monomers, are inclusively discussed. Identification and construction of dual-pores in COFs via optimal synthetic methods, such as desymmetrization, multiple linking sites, and orthogonal reactions, are highlighted as the primary pore engineering routes to simultaneously regulate the growth and alter the characteristics of COFs for promising applications. Lastly, a focused discussion on various challenges and critical fundamentals of dual-pore engineering is successfully outlined, with potential prospects of introducing dual-pore in COFs.

Recent advances in Metal Organic Framework (MOF)-based hierarchical composites for water treatment by adsorptional photocatalysis: A review.

Architecting a desirable and highly efficient nanocomposite for applications like adsorption, catalysis, etc. has always been a challenge. Metal Organic Framework (MOF)-based hierarchical composite has perceived popularity as an advanced adsorbent and catalyst. Hierarchically structured MOF material can be modulated to allow the surface interaction (external or internal) of MOF with the molecules of interest. They are well endowed with tunable functionality, high porosity, and increased surface area epitomizing mass transfer and mechanical stability of the fabricated nanostructure. Additionally, the anticipated optimization of nanocomposite can only be acquired by a thorough understanding of the synthesis techniques. This review starts with a brief introduction to MOF and the requirement for advanced nanocomposites after the setback faced by conventional MOF structures. Further, we discussed the background of MOF-based hierarchical composites followed by synthetic techniques including chemical and thermal treatment. It is important to rationally validate the successful nanocomposite fabrication by characterization techniques, an overview of challenges, and future perspectives associated with MOF-based hierarchically structured nanocomposite.

Covalent organic frameworks (COFs) core@shell nanohybrids: Novel nanomaterial support towards environmental sustainability applications.

Covalent organic frameworks (COFs) based on core@shell nanohybrids have recently received significant attention and have become one of the most promising strategies for improving the stability and catalytic activity of COFs. Compared with traditional core@shell, COF-based core@shell hybrids own remarkable advantages, including size-selective reactions, bifunctional catalysis, and integration of multiple functions. These properties could enhance the stability and recyclability, resistance to sintering, and maximize the electronic interaction between the core and the shell. The activity and selectivity of COF-based core@shell could be simultaneously improved by taking benefit of the existing synergy between the functional encapsulating shell and the covered core material. Considering that, we have highlighted various topological diagrams and the role of COFs in COF-based core@shell hybrid for activity and selectivity enhancement. This concept article provides all-inclusive advances in the design and catalytic applications of COF-based core@shell hybrids. Various synthetic techniques have been developed for the facile tailoring of functional core@shell hybrids, including novel seed growth, in-situ, layer-by-layer, and one-pot method. Importantly, charge dynamics and structure-performance relationships are investigated through different characterization techniques. Different COF-based core@shell hybrids with established synergistic interactions have been detailed, and their influence on stability and catalytic efficiency for various applications is explained and discussed in this contribution. A comprehensive discussion on the remaining challenges associated with COF-based core@shell nanoparticles and research directions has also been provided to deliver insightful ideas for additional future developments.

Construction of Ag2CO3/BiOBr/CdS ternary composite photocatalyst with improved visible-light photocatalytic activity on tetracycline molecule degradation.

Photocatalytic degradation was considered as a best strategy for the removal of antibiotic drug pollutants from wastewater. The photocatalyst of ABC (Ag2CO3/BiOBr/CdS) composite synthesized by hydrothermal and precipitation method. The ABC composite used to investigate the degradation activity of tetracycline (TC) under visible light irradiation. The physicochemical characterization methods (e.g. scanning electron microscopy (SEM), transmission electron microscopy (TEM), high resolution-transmission electron microscopy (HR-TEM), ultraviolet visible spectroscopy (UV), photoluminescence (PL) and time resolved photoluminescence (TRPL) clearly indicate that the composite has been construct successfully that enhances the widened visible light absorption, induces charge transfer and separation efficiency of electron - hole pairs. The photocatalytic activity of all samples was examined through photodegradation of tetracycline in aqueous medium. The photocatalytic degradation rate of ABC catalyst could eliminate 98.79% of TC in 70 min, which is about 1.5 times that of Ag2CO3, 1.28 times that of BiOBr and 1.1 times that of BC catalyst, respectively. The role of operation parameters like, TC concentration, catalyst dosage and initial pH on TC degradation activity were studied. Quenching experiment was demonstrated that ·OH and O2·- were played a key role during the photocatalysis process that was evidently proved in electron paramagnetic resonance (EPR) experiment. In addition, the catalyst showed good activity perceived in reusability and stability test due to the synergistic effect between its components. The mechanism of degradation of TC in ABC composite was proposed based on the detailed analysis. The current study will give an efficient and recyclable photocatalyst for antibiotic aqueous pollutant removal.

Ag-modified TiO2/SiO2/Fe3O4 sphere with core-shell structure for photo-assisted reduction of 4-nitrophenol.

Nitrogen-containing contaminants, such as 4-nitrophenol (4-NP), cause detrimental effects when discharged into the environment and thus should be reduced or removed from ecosystems. In this study, an Ag-loaded TiO2-SiO2-Fe3O4 (TSF) with a core-shell structure was employed for the photo-assisted reduction of 4-NP. Fe3O4, SiO2, and TiO2 in the core-shell structure served as a magnetic center, protective layer, and light absorber, respectively. To improve the reduction activity of 4-NP, Ag was loaded onto TSF under stirring, with a variation of the temperature (2-130 °C) and reaction time (1, 2, and 4 h). Under the optimized conditions, 5Ag-TSF (with 5 wt% of Ag) could promote the reduction of aqueous 4-NP solution (2 × 10-4 M, 75 mL) in the presence of NaBH4 (0.1 M, 5 mL) under irradiation by a metal halide lamp, affording over 98% reduction within 5 min and a rate constant of 0.185 min-1, demonstrating its promising activity. Moreover, due to the advantages of the core-shell structure, the magnetic properties of Fe3O4 were sufficient to enable facile recycling of the sample for further reaction; SiO2 could protect the Fe3O4 center from oxidation or reduction; TiO2 enabled Ag accommodation and absorbed light to generate electron-hole pairs. In summary, an Ag-loaded TiO2-SiO2-Fe3O4 sphere with high activity and recyclability for 4-NP reduction was prepared via a facile and simple stirring method, where the sample can be used as a promising material in environmental remediation.

White LED active α-Fe2O3/rGO photocatalytic nanocomposite for an effective degradation of tetracycline and ibuprofen molecules.

The formation of phase pure magnetically separable α-Fe2O3 and α-Fe2O3/rGO nanostructures were achieved through a simple hydrothermal technique. The properties of synthesized materials were investigated through different analytical techniques. The formation of phase pure FO and FO/rGO nanostructures were confirmed by XRD analysis with crystallite size of about ∼42 nm and ∼65 nm, respectively. The morphological analysis reveals the formation of sphere-like nanoparticles with high agglomeration. The UV-DRS analysis clearly shows the enhanced visible-light activity of FO/rGO nanoparticles. The BET analysis revealed the mesoporous property of FO/rGO nanocomposite. The enhancement in the photoinduced charge transfer process is observed after including rGO nanoparticles with FO. The photocatalytic efficiency of nanomaterials was analyzed using tetracycline and ibuprofen as model organic pollutants under white LED irradiation. The enhanced photocatalytic degradation ability of FO/rGO nanocomposite is studied against both tetracycline and ibuprofen molecules.

An overview on recent progress in photocatalytic air purification: Metal-based and metal-free photocatalysis.

Air pollution is becoming a distinctly growing concern and the most pressing universal problem as a result of increased energy consumption, with the multiplication of the human population and industrial enterprises, resulting in the generation of hazardous pollutants. Among these, carbon monoxide, nitrogen oxides, Volatile organic compounds, Semi volatile organic compounds, and other inorganic gases not only have an adverse impact on human health both outdoors and indoors, but have also substantially altered the global climate, resulting in several calamities around the world. Thus, the purification of air is a crucial matter to deal with. Photocatalytic oxidation is one of the most recent and promising technologies, and it has been the subject of numerous studies over the past two decades. Hence, the photocatalyst is the most reassuring aspirant due to its adequate bandgap and exquisite stability. The process of photocatalysis has provided many benefits to the atmosphere by removing pollutants. In this review, our work focuses on four main themes. Firstly, we briefly elaborated on the general mechanism of air pollutant degradation, followed by an overview of the typical TiO2 photocatalyst, which is the most researched photocatalyst for photocatalytic destruction of gaseous VOCs. The influence of operating parameters influencing the process of photocatalytic oxidation (such as mass transfer, light source and intensity, pollutant concentration, and relative humidity) was then summarized. Afterwards, the progress and drawbacks of some typical photoreactors (including monolithic reactors, microreactors, optical fiber reactors, and packed bed reactors) were described and differentiated. Lastly, the most noteworthy coverage is dedicated to different types of modification strategies aimed at ameliorating the performance of photocatalysts for degradation of air pollutants, which were proposed and addressed. In addition, the review winds up with a brief deliberation for more exploration into air purification photocatalysis.

Machine learning-assisted evaluation of potential biochars for pharmaceutical removal from water.

A popular approach to select optimal adsorbents is to perform parallel experiments on adsorbents based on an initially decided goal such as specified product purity, efficiency, or binding capacity. To screen optimal adsorbents, we focused on the max adsorption capacity of the candidates at equilibrium in this work because the adsorption capacity of each adsorbent is strongly dependent on certain conditions. A data-driven machine learning tool for predicting the max adsorption capacity (Qm) of 19 pharmaceutical compounds on 88 biochars was developed. The range of values of Qm (mean 48.29 mg/g) was remarkably large, with a high number of outliers and large variability. Modified biochars enhanced the Qm and surface area values compared with the original biochar, with a statistically significant difference (Chi-square value = 7.21-18.25, P < 0.005). K- nearest neighbors (KNN) was found to be the most optimal algorithm with a root mean square error (RMSE) of 23.48 followed by random forest and Cubist with RMSE of 26.91 and 29.56, respectively, whereas linear regression and regularization were the worst algorithms. KNN model achieved R2 of 0.92 and RMSE of 16.62 for the testing data. A web app was developed to facilitate the use of the KNN model, providing a reliable solution for saving time and money in unnecessary lab-scale adsorption experiments while selecting appropriate biochars for pharmaceutical adsorption.

Ultrastable Conjugated Microporous Polymers Containing Benzobisthiadiazole and Pyrene Building Blocks for Energy Storage Applications.

In recent years, conjugated microporous polymers (CMPs) have become important precursors for environmental and energy applications, compared with inorganic electrode materials, due to their ease of preparation, facile charge storage process, π-conjugated structures, relatively high thermal and chemical stability, abundance in nature, and high surface areas. Therefore, in this study, we designed and prepared new benzobisthiadiazole (BBT)-linked CMPs (BBT-CMPs) using a simple Sonogashira couplings reaction by reaction of 4,8-dibromobenzo(1,2-c;4,5-c')bis(1,2,5)thiadiazole (BBT-Br2) with ethynyl derivatives of triphenylamine (TPA-T), pyrene (Py-T), and tetraphenylethene (TPE-T), respectively, to afford TPA-BBT-CMP, Py-BBT-CMP, and TPE-BBT-CMP. The chemical structure and properties of BBT-CMPs such as surface areas, pore size, surface morphologies, and thermal stability using different measurements were discussed in detail. Among the studied BBT-CMPs, we revealed that TPE-BBT-CMP displayed high degradation temperature, up to 340 °C, with high char yield and regular, aggregated sphere based on thermogravimetric analysis (TGA) and scanning electron microscopy (SEM), respectively. Furthermore, the Py-BBT-CMP as organic electrode showed an outstanding specific capacitance of 228 F g-1 and superior capacitance stability of 93.2% (over 2000 cycles). Based on theoretical results, an important role of BBT-CMPs, due to their electronic structure, was revealed to be enhancing the charge storage. Furthermore, all three CMP polymers featured a high conjugation system, leading to improved electron conduction and small bandgaps.

Designed Patterning of Mesoporous Metal Films Based on Electrochemical Micelle Assembly Combined with Lithographical Techniques.

Mesoporous noble metals and their patterning techniques for obtaining unique patterned structures are highly attractive for electrocatalysis, photocatalysis, and optoelectronics device applications owing to their expedient properties such as high level of exposed active locations, cascade electrocatalytic sites, and large surface area. However, patterning techniques for mesoporous substrates are still limited to metal oxide and silica films, although there is growing demand for developing techniques related to patterning mesoporous metals. In this study, the first demonstration of mesoporous metal films on patterned gold (Au) substrates, prefabricated using photolithographic techniques, is reported. First, different growth rates of mesoporous Au metal films on patterned Au substrates are demonstrated by varying deposition times and voltages. In addition, mesoporous Au films are also fabricated on various patterns of Au substrates including stripe and mesh lines. An alternative fabrication method using a photoresist insulating mask also yields growth of mesoporous Au within the patterning. Moreover, patterned mesoporous films of palladium (Pd) and palladium-copper alloy (PdCu) are demonstrated on the same types of substrates to show versatility of this method. Patterned mesoporous Au films (PMGFs) show higher electrochemically active surface area (ECSA) and higher sensitivity toward glucose oxidation than nonpatterned mesoporous Au films (NMGF).

Electrophoretic Deposition of Binder-Free MOF-Derived Carbon Films for High-Performance Microsupercapacitors.

Recently, miniaturized power supplies have become essential components of micro-electromechanical systems (MEMS) and portable microdevices due to their high-power density, moderate specific energy, and superior long-term cyclability. In this study, microsupercapacitors with ZIF-8-derived carbons as active materials were successfully fabricate by electrophoretic deposition method. The carbon materials on microsupercapacitors, which are directly deposited or obtained by pyrolyzing predeposited ZIF-8 particles, play a crucial role in achieving outstanding electrochemical performances. The microsupercapacitor of 16 interdigital finger electrodes, prepared by electrophoretic deposition of ZIF-8 particles and subsequent pyrolysis, shows maximum specific power 687.6 mW cm-3 , specific energy 2.87 mWh cm-3 , and 97.8 % capacitance retention rate after 10 000 cycles. The simple and facile process of electrophoretic deposition and subsequent pyrolysis of ZIF-8 particles generates a film of densely populated microporous carbon particles on microsupercapacitor, leading to superior capacitive performances.

Effect of N2 flow rate on kinetic investigation of lignin pyrolysis.

Fast pyrolysis of lignin can obtain valuable products such as bio-oil, bio-chemical, syngas, and biochar. In this study, two types of lignin known as brown solid from the byproduct of cellulosic ethanol fermentation and commercial dealkaline lignin from the papermaking process were used for pyrolysis in a 3-L batch reactor at 300-450 °C. The product composition in the liquid and gas phases were analyzed by using gas chromatography-mass spectrometry/Flame-ionization detector/thermal conductivity detector (GC-MS/FID/TCD). Increasing the N2 flow rate to 150 mL/min was sufficient to increase the production of bio-oil/bio-organics up to 15% for brown solid pyrolysis. In contrast, the biochemical production during dealkaline lignin pyrolysis was not sensitive to the change of the N2 flow rate. The amount of biochar produced in the pyrolysis (~60%) slightly changed at various pyrolysis temperature and gas flow rate, which could be due to the relatively low pyrolysis temperature that was insufficient to decompose the lignin. The GC-MS analysis also revealed that C7-C8 compounds, which represented the phenolic compounds, were the most abundant in the liquid products. Kinetic models of the pyrolysis were established based on the thermogravimetric analysis.

Assessment of agricultural waste-derived activated carbon in multiple applications.

To minimize waste production and reduce reliance on fossil fuels, agricultural waste such as rice straw has been actively used in biochemical production. In Taiwan, cellulosic waste has been used in anaerobic digestion for bioethanol production. This process produces a large amount of biomass-associated sludge that may become a serious environmental issue. Therefore, in this study, the anaerobic digestion sludge was recycled for the production of activated carbon via pyrolysis and activation by KOH. Surface characterization showed increased surface area and development of microporous structure upon activation. The FTIR image showed that high temperature activation eliminated most functional groups in the activated carbon, except for CO and C-O groups. The results showed that the activated carbon could be used for pollutant adsorbents such as molecular dyes (methylene blue: 217 mg g-1) and metal ions (copper: 169 mg g-1) from aqueous solution. In addition, the as-synthesized activated carbon can be used for CO2 capture and capacitor. Instead of focusing on one single application, we proposed that centralized production of activated carbon could be used in various applications, while further modification could be adopted depending on the need of its specific application.

Synthesis and Evaluation of Anticonvulsant Activity of Some Schiff Bases of 7-Amino-1,3-dihydro-2H-1,4-benzodiazepin-2-one.

A variety of 1,3-dihydro-2H-1,4-benzodiazepin-2-one azomethines and 1,3-dihydro-2H-1,4-benzodiazepin-2-one benzamide were prepared, characterized and evaluated for the anticonvulsant activity in the rat using picrotoxin-induced seizure model. The prepared 1,3-dihydro-2H-1,4-benzodiazepin-2-one azomethine derivatives emerged potentially anticonvulsant molecular scaffolds exemplified by compounds, 7-{(E)-[(4-nitrophenyl)methylidene]amino}-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one, 7-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one, 7-{(E)-[(4-bromo-2,6-difluorophenyl)methylidene]amino}-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one and 7-[(E)-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}amino]-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one. All these four compounds have shown substantial decrease in the wet dog shake numbers and grade of convulsions with respect to the standard drug diazepam. The most active compound, 7-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one, exhibited 74 % protection against convulsion which was higher than the standard drug diazepam. Furthermore, to identify the binding mode of the interaction amongst the target analogs and binding site of the benzodiazepine receptor, molecular docking study and molecular dynamic simulation were carried out. Additionally, in silico pharmacokinetic and toxicity predictions of target compounds were carried out using AdmetSAR tool. Results of ADMET studies suggest that the pharmacokinetic parameters of all the target compounds were within the acceptable range to become a potential drug candidate as antiepileptic agents.

Rapid and Scalable Wire-bar Strategy for Coating of TiO2 Thin-films: Effect of Post-Annealing Temperatures on Structures and Catalytic Dye-Degradation.

Titanium dioxide (TiO2) thin films were rapidly coated on Corning glass substrates from the precursor solution using the wire-bar technique at the room temperature and then post-annealed at 400, 500 and 600 °C for 1 h under atmospheric conditions. The structural, morphological, optical, wettability and photocatalytic properties of the films were studied. X-ray diffraction analysis confirmed the formation of an anatase TiO2 structure irrespective of the post-annealing temperatures. The optical transparency of the films in the visible range was measured to be > 70%. A water contact angle (WCA) of ~0° was observed for TiO2 thin-film, post-annealed at 400 °C and 500 °C. However, WCA of 40.3° was observed for post-annealed at 600 °C. The photocatalytic dye-degradation using post-annealed thin-film was investigated indicating a steady improvement in the dye-degradation percentage (from 24.3 to 29.4%) with the increase of post-annealing temperature. The demonstrated TiO2 thin-films deposited by wire-bar coating technique showed promises for the manufacturing of large-area cost-effective self-cleaning window glass.