New Series of Hydrogen-Bonded Liquid Crystal with High Birefringence and Conductivity.

Liquid crystals with high dielectric anisotropy, low operational thresholds, and significant birefringence (Δn) represent a key focus in soft matter research. This work introduces a novel series of hydrogen-bonded liquid crystals (HBLCs) derived from 4-n-alkoxybenzoic, 4-alkoxy-3-fluorobenzoic derivatives (nOBAF), 4-alkoxy-2,3-fluorobenzoic derivatives (nOBAFF), and 2-fluoro-4-nitrobenzoic acid. The HBLCs were characterized using Fourier transform infrared spectroscopy, and their thermal behavior was evaluated via differential scanning calorimetry. Optical observations were conducted using polarized optical microscopy. The results indicate that mixtures containing benzoic acid with a bilateral fluorine substituent exhibit both SmA and SmC phases, while those with a unilateral fluorine substituent exhibit nematic and SmA phases. Moreover, an increase in the length of the alkoxy chain results in an expanded mesophase temperature range. This study demonstrates that the presence of a fluorine substituent and the incorporation of an NO2 group in the molecular structure result in an increase in dielectric permittivity, DC conductivity, dielectric anisotropy, and birefringence.

Phosphorus-substitution effect on the phase stabilization, electrical and spectroscopic properties of LAMOX-based electrolyte for solid oxide fuel cells.

A series of P5+ - doped La2Mo2O9 phases with different concentrations of P5+ were prepared using conventional solid-state reactions. The formation of phase-pure P5+-doped La2Mo2O9 has been monitored by powder X-ray diffraction, thermal analysis, conductivity measurements, Raman, and FT-IR absorption techniques. The structure and lattice parameters of La2Mo2-yPyO9-y/2 are obtained from Rietveld refinement. The effect of substituting P for Mo reveals that the phase transition which occurs in La2Mo2O9 around 560 °C disappears when y > 0.02, as demonstrated by thermal analysis. Pure P5+-doped phases with monoclinic structure (α-form, the space group P21) were observed for the concentration of optically active ions up to y = 0.02. When the concentration of P5+ ions is higher, a cubic structure (ß-form, the space group P213) starts to appear. However, up to the concentration of y = 0.03 of the P5+ ion a mixture of the monoclinic and cubic phases has been observed. From infrared and Raman analysis it is confirmed that different vibration modes arise from the vibration of molybdenum-oxygen bands. Mo-O bond lengths are also found to be independent of P-doping.

Crystal Chemistry, Optic and Magnetic Characterizations of a New Copper Based Material Templated by Hexahydrodiazepine.

Crystals of the new organic-inorganic material (DAP-H2)[CuBr4] (1); (DAP = hexahydrodiazepine (C5H14N2)) were successfully synthesized by slow evaporation and characterized by single-crystal X-ray diffraction, infrared spectroscopy, thermal analysis, UV-Vis-NIR diffuse reflectance spectroscopy, and magnetic measurements. X-ray investigation demonstrates that 1 crystallizes in the monoclinic space group C2/c. The supramolecular crystal structure of 1 is guided by several types of hydrogen bonding which connect anions and cations together into a three-dimensional network. The optical band gap was determined by diffuse reflectance spectroscopy to be 1.78 eV for a direct allowed transition, implying that it is suitable for light harvesting in solar cells. The vibrational properties of this compound were studied by infrared spectroscopy, while its thermal stability was established by simultaneous TGA-DTA from ambient temperature to 600 °C. The study of the photoresponse behavior of an optoelectronic device, based on (C5H14N2)[CuBr4], has shown a power conversion efficiency (PCE) of 0.0017%, with J sc = 0.0208 mA/cm2, V oc = 313.7 mV, and FF = 25.46. Temperature dependent magnetic susceptibility measurements in the temperature range 1.8-310 K reveal weak antiferromagnetic interactions via the two-halide superexchange pathway [2J/k B = -8.4(3) K].

Effective Adsorption and Removal of Doxorubicin from Aqueous Solutions Using Mesostructured Silica Nanospheres: Box-Behnken Design Optimization and Adsorption Performance Evaluation.

The aim of this study is to evaluate the efficacy of mesoporous silica nanospheres as an adsorbent to remove doxorubicin (DOX) from aqueous solution. The surface and structural properties of mesoporous silica nanospheres were investigated using BET, SEM, XRD, TEM, ζ potential, and point of zero charge analysis. To optimize DOX removal from aqueous solution, a Box-Behnken surface statistical design (BBD) with four times factors, four levels, and response surface modeling (RSM) was used. A high amount of adsorptivity from DOX (804.84 mg/g) was successfully done under the following conditions: mesoporous silica nanospheres dose = 0.02 g/25 mL; pH = 6; shaking speed = 200 rpm; and adsorption time = 100 min. The study of isotherms demonstrated how well the Langmuir equation and the experimental data matched. According to thermodynamic characteristics, the adsorption of DOX on mesoporous silica nanospheres was endothermic and spontaneous. The increase in solution temperature also aided in the removal of DOX. The kinetic study showed that the model suited the pseudo-second-order. The suggested adsorption method could recycle mesoporous silica nanospheres five times, with a modest reduction in its ability for adsorption. The most important feature of our adsorbent is that it can be recycled five times without losing its efficiency.

Enhanced Adsorption and Evaluation of Tetracycline Removal in an Aquatic System by Modified Silica Nanotubes.

In the present study, a nanocomposite adsorbent based on mesoporous silica nanotubes (MSNTs) loaded with 3-aminopropyltriethoxysilane (3-APTES@MSNTs) was synthesized. The nanocomposite was employed as an effective adsorbent for the adsorption of tetracycline (TC) antibiotics from aqueous media. It has an 848.80 mg/g maximal TC adsorption capability. The structure and properties of 3-APTES@MSNT nanoadsorbent were detected by TEM, XRD, SEM, FTIR, and N2 adsorption-desorption isotherms. The later analysis suggested that the 3-APTES@MSNT nanoadsorbent has abundant surface functional groups, effective pore size distribution, a larger pore volume, and a relatively higher surface area. Furthermore, the influence of key adsorption parameters, including ambient temperature, ionic strength, initial TC concentration, contact time, initial pH, coexisting ions, and adsorbent dosage, had also been investigated. The 3-APTES@MSNT nanoadsorbent's ability to adsorb the TC molecules was found to be more compatible with Langmuir isothermal and pseudo-second-order kinetic models. Moreover, research on temperature profiles pointed to the process' endothermic character. In combination with the characterization findings, it was logically concluded that the 3-APTES@MSNT nanoadsorbent's primary adsorption processes involved interaction, electrostatic interaction, hydrogen bonding interaction, and the pore-fling effect. The synthesized 3-APTES@MSNT nanoadsorbent has an interestingly high recyclability of >84.6 percent up to the fifth cycle. The 3-APTES@MSNT nanoadsorbent, therefore, showed promise for TC removal and environmental cleanup.

Synthesis and Molecular Docking of New 1,2,3-triazole Carbohydrates with COVID-19 Proteins.

AIMS: We have established this paper to recommend a novel way for the preparation of carbohydrates encompassing a 1,2,3-triazole motif that was prepared using an efficient click chemistry synthesis. BACKGROUND: The SARS-CoV-2 coronavirus epidemic continues to spread at a fast rate worldwide. The main protease (Mpro) is useful target for anti-COVID-19 agents. Triazoles are frequently found in many bioactive products, such as coronavirus inhibitors. OBJECTIVE: Click reactions are facilitated via the activation of copper nanoparticles, different substrates have been tested using this adopted procedure given in all cases, in high yields and purity. Other interesting comparative docking analyses will be the focus of this article. Calculations of quantitative structure-activity relationships will be studied. METHODS: Copper nanoparticles were produced by the reaction of cupric acetate monohydrate with oleylamine and oleic acid. To a solution, 5-(azidomethyl)-2,2,7,7-tetramethyltetrahydro-5Hbis([ 1,3]dioxolo)[4,5-b:4',5'-d]pyran 2 (200 mg, 0.72 mmol, 1 eq.) in toluene (15 mL) was added into a mixture of N-(prop-2-yn-1-yl)benzamide derivatives 1a-d (1.5 eq.) and copper nanoparticles (0.57 mg, 0.036 mmol, 0.05 eq.). RESULTS: A novel series of 1,2,3-triazole carbohydrate skeletons were modeled and efficiently synthesized. Based on the observations, virtual screening using molecular docking was performed to identify novel compounds that can bind with the protein structures of COVID-19 (PDB ID: 6LU7 and 6W41). We believed that the 1,2,3-triazole carbohydrate derivatives could aid in COVID-19 drug discovery. CONCLUSION: The formations of targeted triazoles were confirmed by different spectroscopic techniques (FT-IR, 1H NMR, 13C NMR, and CHN analyses). The docking scores of the newly synthesized triazole are attributed to the presence of hydrogen bonds together with many interactions between the ligands and the active amino acid residue of the receptor. The comparison of the interactions of the drugs, remdesivir and triazole, in the largest pocket of 6W41 and 6LU7 is also presented.

A promising 1D Cd-based hybrid perovskite-type for white-light emission with high-color-rendering index.

A one dimensional (1D) perovskite-type (C6H7NBr)3[CdBr5] (abbreviated 4-BAPC) was synthesized by slow evaporation at room temperature (RT). 4-BAPC crystalizes in the monoclinic system with the space group P21/c. The 1D inorganic chains are formed by corner sharing CdBr6 octahedra. Thermal measurement shows that 4-BAPC is stable up to 190 °C. Optical characterization demonstrates that the grown crystal is an indirect bandgap material with a bandgap value of 3.93 eV, which is consistent with theoretical calculations. The electronic structure, calculated using density functional theory, reveals that the valence band originates from a combination of Br-4p orbitals and Cd-4d orbitals, whereas the conduction band originates from the Cd-5s orbitals. The photoluminescence spectroscopy shows that the obtained material exhibits a broad-band white light emission with extra-high CRI of 98 under λ exc = 380 nm. This emission is mainly resulting from the self-trapped exciton recombinations within the inorganic CdBr6 octahedron, and the fluorescence within the organic conjugated ammonium salt.

Disinfection of corona and myriad viruses in water by non-thermal plasma: a review.

Nowadays, in parallel to the appearance of the COVID-19 virus, the risk of viruses in water increases leading to the necessity of developing novel disinfection methods. This review focuses on the route of virus contamination in water and introduces non-thermal plasma technology as a promising method for the inactivation of viruses. Effects of essential parameters affecting the non-thermal discharge for viral inactivation have been exposed. The review has also illustrated a critical discussion of this technology with other advanced oxidation processes. Additionally, the inactivation mechanisms have also been detailed based on reactive oxygen and nitrogen species.

Effect of Sintering Temperature and Polarization on the Dielectric and Electrical Properties of La0.9Sr0.1MnO3 Manganite in Alternating Current.

The electrical characterization ofa La0.9Sr0.1MnO3 compound sintered at 800, 1000 and 1200 °C was investigated by means of the impedance-spectroscopy technique. As the results, the experimental conductivity spectra were explained in terms of the power law. The AC-conductivity study reveals the contributions of different conduction mechanisms. Indeed, the variation in the frequency exponents ('s1' and 's2') as a function of the temperature confirms the thermal activation of the conduction process in the system. It proves, equally, that the transport properties are governed by the non-small-polaron-tunneling and the correlated-barrier-hopping mechanisms. Moreover, the values of the frequency exponents increase under the sintering-temperature (TS) effect. Such an evolution may be explained energetically. The jump relaxation model was used to explain the electrical conductivity in the dispersive region, as well as the frequency-exponent values by ionic conductivity. Under electrical polarization with applied DC biases of Vp = 0.1 and 2 V at room temperature, the results show the significant enhancement of the electrical conductivity. In addition, the dielectric study reveals the evident presence of dielectric relaxation. Under the sintering-temperature effect, the dielectric constant increases enormously. Indeed, the temperature dependence of the dielectric constant is well fitted by the modified Curie-Weiss law. Thus, the deduced values of the parameter (γ) confirm the relaxor character and prove the diffuse phase transition of our material. Of note is the high dielectric-permittivity magnitude, which indicates that the material is promising for microelectronic devices.

Mechanochemical Promoted Heterocycles: A Solvent-free Route to Triazole Carbohydrates as Glycogen Phosphorylase Inhibitors.

AIMS: This study aimed to recommend a novel way for the preparation of carbohydrates containing triazole derivatives. BACKGROUND: Triazoles containing derivatives have numerous biological activities. Ball milling is a fast, modest, green process with massive potential. One of the greatest interesting applications of this technique is in the arena of heterocycles. OBJECTIVE: Solvent-free click reactions are facilitated via the activation of copper powder using a ball milling mechanochemical procedure. An optimization study of parameters affecting the reaction rate, such as reaction time, size, and milling ball number, has been conducted. Different substrates have been tested using this adopted procedure considering in all cases, in high yields and purity, the corresponding chiral optically pure five-membered glycoconjugates containing 1,2,3-triazole. METHODS: Three milling balls of 10 mm in diameter were placed in the milling jar (50 mL; stainless steel). 1 mmol of alkyne, 2 mmol of azide, and 1 mmol of Cu powder (63 mg) were added, respectively, in the presented order. Milling was assured for 25 min at 650 rpm deprived of solvent. RESULTS: The cycloaddition results and the deprotection of the cycloadducts were affected by the selection of the protective groups. Cleavage of the acetyl protecting groups provided water-soluble triazoles. The four 1,4-di-substituted 1,2,3-triazoles synthesized via deacetylation were tested against glycogen phosphorylase. The best inhibitor of rabbit muscle glycogen phosphorylase was 2-Amino-3-{2-[1-(3,4,5,6-tetrahydroxytetrahydro- pyran-2-ylmethyl)-1H-[1,2,3]triazol-4-yl]-ethylsulfanyl}-propionic acid b (Ki = 40.8 ± 3.2 µM). This novel procedure affords an eco-friendly reaction profile (catalyst-free) affording high yields and short reaction times. CONCLUSION: In this work, acetyl protective groups were used to the corresponding deprotected watersoluble triazole analogous to recognizing glycogen phosphorylase inhibitors. Triazole 6a was the most effective inhibitor of RMGP b with a Ki value of 40.8 µM.

Synthesis of New Spiro-Cyclopropanes Prepared by Non-Stabilized Diazoalkane Exhibiting an Extremely High Insecticidal Activity.

The synthesis of new insecticidal gem-dimethyspiro-cyclopropanes derived from pyrrolidine-2,3-dione have been described, and their biological effect against different insect species has been evaluated. The presented results demonstrate the excellent insecticidal activity of cyclopropane 5c against Aedes aegypti and Musca domestica. Cyclopropane 5c showed the quickest knockdown and the best killing against Aedes aegypti and Musca domestica compared to trans-chrysanthemic acid and pyrethrin. The biological results of the high insecticidal activity were confirmed by the results of docking. This is evident in the binding affinity obtained for cyclopropane 5c, indicating good binding with an important active amino acid residue of the 5FT3 protein.

Review on inactivation of airborne viruses using non-thermal plasma technologies: from MS2 to coronavirus.

Although several non-thermal plasmas (NTPs) technologies have been widely investigated in air treatment, very few studies have focused on the inactivation mechanism of viruses by NTPs. Due to its efficiency and environmental compatibility, non-thermal plasma could be considered a promising virus-inactivation technology. Plasma is a partly or fully ionized gas including some species (i.e., electrons, free radicals, ions, and neutral molecules) to oxidize pollutants or inactivate harmful organisms. Non-thermal plasmas are made using less energy and have an active electron at a much higher temperature than bulk gas molecules. This review describes NTPs for virus inactivation in indoor air. The different application processes of plasma for microorganism inactivation at both laboratory and pilot-scale was also reviewed This paper reports on recent advances in this exciting area of viral inactivation identifying applications and mechanisms of inactivation, and summarizing the results of the latest experiments in the literature. Moreover, special attention was paid to the mechanism of virus inactivation. Finally, the paper suggests research directions in the field of airborne virus inactivation using non-thermal plasma.

Synthesis and Characterization of TiO2 Nanotubes (TiO2-NTs) Decorated with Platine Nanoparticles (Pt-NPs): Photocatalytic Performance for Simultaneous Removal of Microorganisms and Volatile Organic Compounds.

This work reports on the effect of TiO2 nanotubes (TiO2-NTs), decorated wih platinum nanoparticles (Pt-NPs), on the removal of bacteria and volatile organic compounds (VOCs). The Pt-NPs were loaded onto the TiO2-NTs using the electrodeposition method at four decoration times (100, 200, 300, and 600 s). The realized Pt-NPs/TiO2-NTs nanocomposites were used for the degradation of cyclohexane, a highly toxic and carcinogenic VOC pollutant in the chemical industry. The achieved Pt-NPs/TiO2-NTs nanocomposites were characterized using X-ray diffraction (XRD), photoluminescence (PL), diffuse reflectance spectroscopy (UV-Vis), and scanning (SEM) and transmission (TEM) electron microscopy. To understand the photocatalytic and antibacterial behavior of the Pt-NPs/TiO2-NTs, simultaneous treatment of Escherichia coli and cyclohexane was conducted while varying the catalyst time decoration. We noticed a complete bacterial inactivation rate with 90% VOC removal within 60 min of visible light irradiation. Moreover, the Langmuir-Hinshelwood model correlated well with the experimental results of the photocatalytic treatment of indoor air.

Application of Bi12ZnO20 Sillenite as an Efficient Photocatalyst for Wastewater Treatment: Removal of Both Organic and Inorganic Compounds.

This work aims to synthesize and characterize a material that can be used as an effective catalyst for photocatalytic application to remove both organic and inorganic compounds from wastewater. In this context, sillenite Bi12ZnO20 (BZO) in a pure phase was synthesized using the sol-gel method. Before calcination, differential scanning calorimetry (DSC) analysis was done to determine the temperature of the formation of the sillenite phase, which was found to be 800 °C. After calcination, the phase was identified by X-ray diffraction (XRD) and then refined using the Rietveld refinement technique. The results prove that BZO crystals have a cubic symmetry with the space group I23 (N°197); the lattice parameters of the structure were also determined. From the crystalline size, the surface area was estimated using the Brunauer-Emmett-Teller (BET) method, which was found to be 11.22 m2/g. The formation of sillenite was also checked using the Raman technique. The morphology of the crystals was visualized using electron scanning microscope (SEM) analysis. After that, the optical properties of BZO were investigated by diffuse reflectance spectroscopy (DRS) and photoluminescence (PL); an optical gap of 2.9 eV was found. In the final step, the photocatalytic activity of the BZO crystals was evaluated for the removal of inorganic and organic pollutants, namely hexavalent chromium Cr(VI) and Cefixime (CFX). An efficient removal rate was achieved for both contaminants within only 3 h, with a 94.34% degradation rate for CFX and a 77.19% reduction rate for Cr(VI). Additionally, a kinetic study was carried out using a first-order model, and the results showed that the kinetic properties are compatible with this model. According to these findings, we can conclude that the sillenite BZO can be used as an efficient photocatalyst for wastewater treatment by eliminating both organic and inorganic compounds.

Application of phenolic compounds as natural dye extracted from date-pits: dyeing studies of modified acrylic fibres.

This research work involves the dyeing of acrylic fabric with natural dye extracted from date pits powders using Soxhlet extraction process. The effect of dye bath pH, salt concentration, dyeing time and temperature were studied. The optimal dyeing conditions where pH 4, 0 g/L salt, 60 min, and 80 °C. The COD and the BOD5 of the residual dye bath were measured and it was shown from the registered values that the residual dye bath presents an acceptable rate of organic discharge.

Application of anthocyanins as natural dye extracted from Brassica oleracea L. var. capitata f. rubra: dyeing studies of wool and silk fibres.

Brassica oleracea L. var. capitata f. rubra (Red Cabbage) dye is composed mainly of natural pigment called anthocyanins used as a natural colourant. Wool and silk fibres were dyed with the aqueous extract obtained from red cabbage. The dyeing process was investigated and the combined effects of dyeing conditions on the colour yield parameter (K/S) were studied. Resulted fastness to wash, rubbing and light of the dyed fabrics were evaluated. Chemical Oxygen Demand (COD) and Biological Oxygen Demand (BOD5) of the residual effluent were measured. Best dyeing conditions were found to be: 50 g/100 mL, pH 2, 60 min and 100 °C, respectively, for the red cabbage weight, pH, dyeing duration and temperature. Good fastnesses properties were found in both cases: for wool and silk fabrics. It was found also that the calculated biodegradability ratio (COD/BOD5) of the residual bath of dyeing wool and silk with red cabbage extract are lower than 1.5 which means that these baths are biodegradable.

Study on optimizing dyeing of cotton using date pits extract as a combined source of coloring matter and bio-mordant.

In this research, extraction of colouring matter from date pits powder was conferred by conventional and ultrasonic methods. Phenolic compounds present in the resulted extract were identified by HPLC analysis. Total phenolic, total flavonoid and total metallic contents were quantified; and the highest levels were obtained in case of ultrasonic extraction process at a frequency of 25 kHz. The different resultant extracts were diluted with distilled water and unified to a polyphenolic content of 48 mg per 100 mL. Dyeing results have been discussed as a function of the bio-metallic contents present in the extract. It was found that the highest colour strengths and the better fastness properties were registered in case of dyeing experiments developed using the ultrasonic extracts. Those above results could be due to the highest metallic content present in the ultrasonic extracts, which has functioned as a bio-mordant properly extracted from date pits powder.

Improving dyeability of modified cotton fabrics by the natural aqueous extract from red cabbage using ultrasonic energy.

The concern regarding sustainable utilization of available resources is growing due to its global importance. In this paper, the dyeability of cotton fabrics with natural colorant extracted from red cabbage was improved by applying cationic groups on cotton fibers. Modification of cotton was carried using acid tannic, Rewin Os, Denitex BC and Sera Fast as cationic agents. The dyeing process was done by ultrasonic energy. The effects of the cationising agent amount, the dye bath pH, the dyeing temperature and duration, on the sonicator dyeing quality were studied. The performances of this process were evaluated by measuring the colour yield (K/S) and the dyeing fastness of the coloured cotton. Besides, modified cotton fibers were characterized by morphology analysis (SEM) and Fourier transform infrared (FTIR) spectra and compared to untreated cotton. Moreover, a two-level full factorial design was employed to optimize the sonicator dyeing process. Mathematical model equation and statistical analysis were derived by computer simulation programming applying the least squares method using Minitab 15. Best dyeing conditions were found to be: 10%, pH 11, 60min and 100°C respectively for the Sera Fast amount, dye bath pH, dyeing duration and temperature.