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Herein, this study has examined the influence of Zn2+ sources during a biogenic-mediated pathway to synthesize ZnO nanoparticles with highly desirable solar-responsive catalytic properties. Salts of nitrate, acetate and chloride have been utilized. The ZnO powders underwent characterization using diverse analytical tools, including XRD, FTIR, Raman, BET, SEM, TEM with EDS/elemental mapping and UV-vis absorption/emission spectroscopic analyses. Accordingly, precursors have proved to affect crystallinity, morphology, surface characteristics, optical properties and the photocatalytic degradation of methylene blue (MB) model pollutant. It was observed that ZnO derived from zinc acetate precursor (Z-AC NPs) exhibits very fast photocatalytic degradation of MB at pH 11 with superior kinetic estimates of 0.314 min−1 and t1/2 = 2.2 min over many of recent reports. In contrast, the chloride precursor is not recommended along with the employed biogenic route. The intriguing findings could be directly correlated to the decreased crystal size, augmented surface area, the hexagonal morphology of the crystals, high potency in absorbing visible photons, high efficacy in separating photogenerated charge carriers and producing high amounts of •OH radicals. Further testing of Z-AC NPs in photocatalytic remediation of water samples from Dumat Aljandal Lake in Aljouf, Saudi Arabia, contaminated with MB and pyronine Y (PY) dyestuffs, showed high dye photodegradation. Therefore, this work could lead to an extremely fast avenue for decontaminating wastewater from hazmat dyestuff. [ABSTRACT FROM AUTHOR]

A binary Fe2O3/Fe3O4 mixed nanocomposite was prepared by phyto-mediated avenue to be suited in the photo-Fenton photodegradation of methylene blue (MB) in the presence of H2O2. XRD and SEM analyses illustrated that Fe2O3 nanoparticles of average crystallite size 8.43 nm were successfully mixed with plate-like aggregates of Fe3O4 with a 15.1 nm average crystallite size. Moreover, SEM images showed a porous morphology for the binary Fe2O3/Fe3O4 mixed nanocomposite that is favorable for a photocatalyst. EDX and elemental mapping showed intense iron and oxygen peaks, confirming composite purity and symmetrical distribution. FTIR analysis displayed the distinct Fe-O assignments. Moreover, the isotherm of the developed nanocomposite showed slit-shaped pores in loose particulates within plate-like aggregates and a mesoporous pore-size distribution. Thermal gravimetric analysis (TGA) indicated the high thermal stability of the prepared Fe2O3/Fe3O4 binary nanocomposite. The optical properties illustrated a narrowing in the band gab (Eg = 2.92 eV) that enabled considerable absorption in the visible region of solar light. Suiting the developed binary Fe2O3/Fe3O4 nanocomposite in the photo-Fenton reaction along with H2O2 supplied higher productivity of active oxidizing species and accordingly a higher degradation efficacy of MB. The solar-driven photodegradation reactions were conducted and the estimated rate constants were 0.002, 0.0047, and 0.0143 min−1 when using the Fe2O3/Fe3O4 nanocomposite, pure H2O2, and the Fe2O3/Fe3O4/H2O2 hybrid catalyst, respectively. Therefore, suiting the developed binary Fe2O3/Fe3O4 nanocomposite and H2O2 in photo-Fenton reaction supplied higher productivity of active oxidizing species and accordingly a higher degradation efficacy of MB. After being subjected to four photo-Fenton degradation cycles, the Fe2O3/Fe3O4 nanocomposite catalyst still functioned admirably. Further evaluation of Fe2O3/Fe3O4 nanocomposite in photocatalytic remediation of contaminated water using a mixture of MB and pyronine Y (PY) dyestuffs revealed substantial dye photodegradation efficiencies. [ABSTRACT FROM AUTHOR]

An RP-HPLC method with a UV detector was developed for the simultaneous quantification of diclofenac diethylamine, methyl salicylate, and capsaicin in a pharmaceutical formulation and rabbit skin samples. The separation was achieved using a Thermo Scientific ACCLAIMTM 120 C18 column (Waltham, MA, USA, 4.6 mm × 150 mm, 5 µm). The optimized elution phase consisted of deionized water adjusted to pH = 3 using phosphoric acid mixed with acetonitrile in a 35:65% (v/v) ratio with isocratic elution. The flow rate was set at 0.7 mL/min, and the detection was performed at 205 nm and 25 °C. The method exhibits good linearity for capsaicin (0.05–70.0 µg/mL), methyl salicylate (0.05–100.0 µg/mL), and diclofenac diethylamine (0.05–100.0 µg/mL), with low LOD values (0.0249, 0.0271, and 0.0038 for capsaicin, methyl salicylate, and diclofenac diethylamine, respectively). The RSD% values were below 3.0%, indicating good precision. The overall greenness score of the method was 0.61, reflecting its environmentally friendly nature. The developed RP-HPLC method was successfully applied to analyze Omni Hot Gel® pharmaceutical formulation and rabbit skin permeation samples. [ABSTRACT FROM AUTHOR]

This review discusses the synthetic pathways of an important class of quinolines known as pyrimido[4,5‐b]quinoline. Due to their profound range as biologically active compounds, they attracted the attention of medical/organic researchers. The construction of pyrimido[4,5‐b]quinolines involved the intermolecular cyclization of diamino chloropyrimidine carbaldehyde and intramolecular cyclization of 2‐amino‐3‐cyanotetra/hexahydroquinoline, 2‐aminoquinoline‐3‐carbonitriles, ester or amide. That class of organic compounds was constructed from the reaction between 2‐chloro‐3‐formylquinoline with amidine, urea, and thiourea. Also, barbituric acid and uracil and their analogous play an important role in synthesizing pyrimidoquinolines via multicomponent reaction strategies (MCR). [ABSTRACT FROM AUTHOR]

In this study, we have developed a series of eight non‐fullerene acceptors, constituting A‐D‐A type small molecules named (SS1–SS8) to enlighten the open‐circuit voltage (Voc) and the efficacy of pre‐existed SR (reference) molecule. Density functional theory has been adopted to computationally assess the optoelectronic features of fabricated molecules with the B3LYP/6‐31G (d, p) level of theory. Several factors like charge transfer, light absorption, binding energy, dipole moment, and reorganization energy are studied. The frontier orbitals analysis revealed that all the newly developed molecules have less bandgap (ranging from 1.97 to 2.22 eV) than SR (2.23 eV). Similarly, these newly engineered molecules also revealed better light absorption by screening remarkable redshift from 676.23 to 789.28 nm than SR (673.83 nm) in chloroform. These molecules have remarkably reduced excitation energy ranging from 1.71 to 1.83 eV than SR 1.84 eV. The exclusive CT analysis is carried out via J61:SS8 complex because of the higher Voc of SS8 (acceptor). Additionally, SS8 has shown the least energy loss, making it a strong contender to be used to develop improved OSCs. Because of the exceptionally improved characteristics, these newly engineered molecules (especially SS8) can be considered potential aspirants for fabricating proficient OSCs. [ABSTRACT FROM AUTHOR]

In this study, seven new molecules (OA1–OA7) were introduced with the goal of enhancing the photovoltaic efficiency of solar cells. All these molecules were evaluated by using density functional theory (DFT). All the designed molecules have shorter band gap and higher values of λ m a x than the reference. For confirming the charge mobility, the optoelectronic characterization has been carried out by densities of states (DOS), transition density matrix (TDM), molecular electrostatic potential (MEP) and reorganization energy. The V o c values in designed molecules were also improved. The stability of designed molecules was also confirmed by the analysis of non-covalent interactions (NCIs). These results elaborate on the superiority of these novel-designed molecules over pre-existing (R) molecule as potential blocks for better organic solar cell applications. In this work, a series of seven new molecules (OA1 to OA7) is presented to potentially improve the photovoltaic efficiency of organic solar cells. Newly presented molecules exhibited improved absorption spectra and narrow band gap. Proposed molecules show improved optoelectronic properties which make them a superior choice than the reference molecule. [ABSTRACT FROM AUTHOR]

α-Fe2O3 coated hydroxy magnesium silicate (HMS) was prepared by the coprecipitation method and was used for the sorption of Cr(VI) from the aquatic environment. FT-IR, XRD, and SEM characterised the investigated composite. The influence of pH, shaking time, Cr(VI) concentration,and the temperature was investigated. The results obtained are fitted well with the pseudo-second-order kinetic model. Besides, Freundlich isotherm is adequate than the Langmuir isotherm. The adsorption was observed to be exothermic, spontaneous, and accompanied by increasing the system's randomness. The adsorption of chromium attained equilibrium after 60.0 min. The maximum adsorption capacities of α-Fe2O3/HMS composite for Cr(VI) were 10.75 mg/g obtained at a pH of 2. [ABSTRACT FROM AUTHOR]

In this work, basic fuchsin (BF) dyestuff was presented as the first optical sensor used for the spectrofluorimetric assessment of morpholine (MOR) where BF exhibits morpholine-sensing behavior. The developed fluorimetric avenue is sensitive, facile, selective, and validated for assaying the sensitizing influence of MOR on the BF fluorescence in an aprotic dioxane solvent. Parameters like solvents, BF concentration, order, and time of addition that influence the fluorescence intensity of the probing system were addressed. Optimizing the analytical methodology revealed a linear fluorescence sensitization within the addition of MOR in the two concentration ranges of 5 × 10 -9 to 1.0 × 10 -7 mol L -1 and 2.0 × 10 -7 to 3 × 10 -6 mol L -1 . The limit of detection (LOD) and limit of quantification (LOQ) were estimated to be 2.0 × 10 -9 mol L -1 (0.17 ng mL -1 ) and 6.66 × 10 -9 mol L -1 (0.567 ng mL -1 ), respectively. High levels of accuracy and precision are achieved when assaying spiked MOR either in pure solutions or samples of fruit peel extract and human urine. Moreover, the green character and practicality/applicability of the method were evaluated by AGREE and BAGI metric tools. These merit outcomes provide insights into the development of fluorescent sensors for MOR detection using fluorescent dyes and meet the Food and Drug Administration's requirements for morpholine detection in real-life applications.

Minimizing the energy loss and improving the open circuit voltage of organic solar cells is still a primary concern for scientists working in this field. With the aim to enhance the photovoltaic performance of organic solar cells by minimizing energy loss and improving open circuit voltage, seven new acceptor molecules (LC1-LC7) are presented in this work. These molecules are designed by modifying the terminal acceptors of pre-existed "LC81" molecule based on an indacinodithiophene (IDT) fused core. The end-group modification approach is very fruitful in ameliorating the efficacy and optoelectric behavior of OSCs. The newly developed molecules presented remarkable improvements in performance-related parameters and optoelectronic properties. Among all designed molecules, LC7 exhibited the highest absorption maxima (λ max  = 869 nm) with the lowest band-gap (1.79 eV), lowest excitation energy (E x  = 1.42 eV), lowest binding energy, and highest excited state lifetime (0.41 ns). The newly designed molecules LC2, LC3, and LC4 exhibited remarkably improved Voc that was 1.84 eV, 1.82 eV, and 1.79 eV accordingly, compared to the LC81 molecule with V oc of 1.74 eV LC2 molecule showed significant improvement in fill factor compared to the previously presented LC81 molecule. LC2, LC6, and LC7 showed a remarkable reduction in energy loss by showing E loss values of 0.26 eV, 0.18 eV, and 0.25 eV than LC81 molecule (0.37 eV). These findings validate the supremacy of these developed molecules (especially LC2) as potential components of future OSCs., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2023 Elsevier Inc. All rights reserved.)

The potentiality of B 12 N 12 and Al 12 N 12 nanocarriers to adsorb Molnupiravir anti-COVID-19 drug, for the first time, was herein elucidated using a series of quantum mechanical calculations. Density function theory (DFT) was systematically utilized. Interaction ( E int ) and adsorption ( E ads ) energies showed higher negative values for Molnupiravir···Al 12 N 12 complexes compared with Molnupiravir···B 12 N 12 analogs. Symmetry-adapted perturbation theory (SAPT) results proclaimed that the adsorption process was predominated by electrostatic forces. Notably, the alterations in the distributions of the molecular orbitals ensured that the B 12 N 12 and Al 12 N 12 nanocarriers were efficient candidates for delivering the Molnupiravir drug. From the thermodynamic perspective, the adsorption process of Molnupiravir drug over B 12 N 12 and Al 12 N 12 nanocarriers had spontaneous and exothermic nature. The ESP, QTAIM, NCI, and DOS observations exposed the tendency of BN and Al 12 N 12 to adsorb the Molnupiravir drug. Overall, these findings proposed that the B 12 N 12 nanocarriers are efficient aspirants for the development of the Molnupiravir anti-COVID-19 drug delivery process.Communicated by Ramaswamy H. Sarma.12 N 12 nanocarriers are efficient aspirants for the development of the Molnupiravir anti-COVID-19 drug delivery process.Communicated by Ramaswamy H. Sarma.

A rapid and sensitive flow method, based on the combination of on-line solvent extraction with reversed micellar mediated chemiluminescence (CL) detection using rhodamine B (RB), was investigated for the selective determination of Au(III) and Ga(III) in aqueous solutions. 2.0 M HCl was the optimum for extracting Au(III) while a 5.0M HCl solution containing 2.5M LiCl was selected as an optimum acidic medium for extraction of Ga(III). The Au(III) and Ga(III) chloro-complex anions were extracted from the above aqueous acidic solutions into toluene as their ion-pair complexes with the protonated RBH(+) ion followed by membrane phase separation in a flow system. In a flow cell of a detector, the extract was mixed with the reversed micellar solution of cetyltrimethylammonium chloride (CTAC) in 1-hexanol-cyclohexane/water (1.0M HCl) containing 0.10 M cerium(IV) and 0.05 M lithium sulfate. Then uptake of the ion-pair by the CTAC reversed micelles and the subsequent CL oxidation of RB with Ce(IV) occurred easily and the CL signals produced were recorded. Using a flow injection system, a detection limit (DL) of 0.4 μM Au(III) and 0.6 μM Ga(III), and linear calibration graphs with dynamic ranges from the respective DLs to 10 μM for Au(III) and Ga(III) were obtained under the optimized experimental conditions. The relative standard deviations (n=6) obtained at 2.0 µM Au(III) and 4.0 µM Ga(III) were 3.0% and 2.4%, respectively. The presented CL methodology has been applied for the determination of Au(III) and Ga(III) in water and industrial samples with satisfactory results., (Copyright © 2015 Elsevier B.V. All rights reserved.)