European Journal of Chemistry
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Cutting-edge bioorthogonal chemistry: Innovations, practical applications, and emerging trends
Full text linkBioorthogonal chemistry has emerged as a pivotal field in molecular science, offering transformative tools for applications in drug discovery, imaging, and molecular biology. This review provides a comprehensive analysis of recent advancements in bioorthogonal chemistry, emphasizing key innovations, practical applications, and future research directions. We explore state-of-the-art bioorthogonal reactions, including Staudinger ligation, strain-promoted azide-alkyne cycloaddition (SPAAC), and tetrazine ligation, detailing their mechanisms, advantages, and limitations. The review highlights significant innovations such as novel fluorogenic probes, improved catalysts, and enhanced reaction conditions that have expanded the utility and efficiency of these reactions. Practical applications are examined, showing how these advances have revolutionized fields like live-cell imaging, targeted drug delivery, and molecular labeling. Looking to the future, we discuss emerging trends and potential research avenues, including the integration of bioorthogonal chemistry with other advanced technologies and the development of new reaction methodologies. This review provides a detailed overview of the current state of bioorthogonal chemistry and outlines its future potential, serving as a valuable resource for researchers and practitioners in the field
Advancing circular economy in industrial chemistry and environmental engineering: Principles, alignment with United Nations sustainable development goals, and pathways to implementation
Full text linkThis groundbreaking review explores the crucial role of the circular economy in industrial chemistry and environmental engineering. It surpasses a mere examination of principles and methods, delving into the profound significance and urgency of this transformative shift. By analyzing key elements such as resource efficiency, waste valorization, sustainable product design, industrial symbiosis, and policy integration, the study highlights the power of collaboration, technological advancements, and extensive literature research. It reveals the remarkable alignment between the circular economy and the Sustainable Development Goals (SDGs), emphasizing how circular practices promote resource efficiency, waste reduction, and sustainable production and consumption patterns, thus driving progress across multiple SDGs. With a specific focus on responsible consumption and production, clean energy, innovative industrial practices, climate action, ecosystem protection, water resource management, job creation, economic growth, sustainable urbanization, and collaboration, the review provides a comprehensive roadmap for adopting circularity. Its practical recommendations cover sustainable material selection, resource efficiency, closing loop, digitalization, and robust policy support. In addition, it emphasizes the paramount importance of collaboration, stakeholder engagement, education, capacity building, circular supply chain management, and effective policy frameworks in spearheading circular economy initiatives. Drawing inspiration from diverse circular economy models and compelling case studies in industrial chemistry, the study highlights the integration of environmental, social, and governance (ESG) factors, ensuring both sustainability and positive societal impact. This comprehensive review serves as a guiding light, demonstrating the immense potential of the circular economy in driving sustainable development. It offers actionable guidance for implementing circular practices, empowering professionals to make tangible contributions to a more sustainable future. Additionally, it serves as a foundational piece, fueling the advancement of knowledge, inspiring further research, and propelling remarkable progress in the ever-evolving fields of industrial chemistry and environmental engineering
Green synthesis of silver nano-catalyst using ionic liquid and their photocatalytic application to the reduction of p-nitrophenol
Full text linkIonic liquids (ILs) carrying special properties can act as electronic as well as steric stabilisers by preventing nanoparticle (NP) growth and NP aggregation. The effect of visible light on the catalytic properties of silver nanoparticles is a hot topic of extensive research nowadays. The present report demonstrates the current developments in the green synthesis of silver nanoparticles in ionic liquids and a detailed study of the room-temperature catalytic and photocatalytic reduction of p-nitrophenol (PNP) to p-aminophenol (AP). The Ag nanoparticles (AgNPs) functionalised by ionic liquids are prepared in the 40-140 nm range and are found to be spherical in shape. The photocatalytic properties of these nanocomposites for the reduction of PNP to AP were studied. Photocatalytic degradation of PNP was also analysed by these composite nanostructures. The plasmonic photocatalytic properties of the synthesised AgNPs revealed activity significantly higher than that of the room-temperature catalysis. Density functional theory calculations showed that strong interactions exist between nanoclusters and ILs. Natural bond orbital analysis showed that IL also activates the nanoparticles for further photocatalytic reduction by transferring electron transfer from the donor (IL) to the acceptor (Ag cluster) and activating the silver NPs for further catalytic reaction. Photocatalytic degradation of PNP (reduction of PNP to AP) using NP in the absence of light follows first-order kinetics, whereas in the presence of light it follows zero-order reaction kinetics
Molecular and crystal structure characteristics of 2-phenylaminotetrahydro-1,3-thiazepine hydrochloride and 2-phenyliminohexahydro-1,3-thiazepine
Full text linkThe current research includes the synthesis and crystallographic characterization of 2-phenylaminotetrahydro-1,3-thiazepine hydrochloride (HPAT) and 2-phenyliminohexa- hydro-1,3-thiazepine (PIT) compounds. 2-Phenylaminotetrahydro-1,3-thiazepine hydro-chloride was synthesized by cyclization of 1-(4-hydroxybutyl)-3-phenylthiourea in an acidic condition. The second compound, 2-phenyliminohexahydro-1,3-thiazepine, was obtained by neutralizing 2-phenylaminotetrahydro-1,3-thiazepine hydrochloride with sodium hydrocarbonate. Both compounds were characterized by the single-crystal X-ray diffraction method. Crystal data for C11H17N2OClS (HPAT): orthorhombic, space group P212121 (no. 19), a = 4.97183(14) Å, b = 15.1169(4) Å, c = 17.7376(5) Å, V = 1333.14(6) Å3, Z = 4, μ(CuKα) = 3.859 mm-1, Dcalc = 1.299 g/cm3, 9243 reflections measured (7.684° ≤ 2Θ ≤ 152.042°), 2749 unique (Rint = 0.0314, Rsigma = 0.0255) which were used in all calculations. The final R1 was 0.0351 (I > 2σ(I)) and wR2 was 0.0911 (all data). Crystal data for C11H14N2S (PIT): monoclinic, space group P21/n (no. 14), a = 9.6303(9) Å, b = 9.8938(6) Å, c = 11.5627(9) Å, β = 103.419(8)°, V = 1071.62(14) Å3, Z = 4, μ(CuKα) = 2.357 mm-1, Dcalc = 1.279 g/cm3, 3938 reflections measured (10.798° ≤ 2Θ ≤ 152.328°), 2172 unique (Rint = 0.0288, Rsigma = 0.0330) that were used in all calculations. The final R1 was 0.0431 (I > 2σ(I)) and wR2 was 0.1219 (all data). The asymmetric unit of HPAT contains one protonated amine, one chlorine anion, and one water molecule. Chlorine anion and water molecules play the role of the bridge in chain formation along the a- and b-axis through H-bonds with N-H hydrogen atoms. Furthermore, the Hirshfeld surface analyses are performed to determine the nature of the intermolecular contacts stabilizing the crystal structures of 2-phenylaminotetrahydro-1,3-thiazepine hydrochloride and 2-phenyliminohexahydro-1,3-thiazepine
Biogenic synthesis of selenium nanoparticles using Hibiscus esculentus L. extract: Catalytic degradation of organic dye and its anticancer, antibacterial and antifungal activities
Full text linkIn this work, we develop the synthesis of selenium nanoparticles (B@SeNPs) using a green method using the aqueous extract of Hibiscus esculentus L. Various techniques were used to characterize bio-synthesized B@SeNPs. The mixture color was clearly changed to reddish at 45-50 °C and the extract pH = 6. According to Fourier transform infrared spectroscopy (FT-IR), the B@SeNPs were produced, capped, and stabilized using biomolecules found in plant extracts. The energy dispersive X-ray (EDX) analysis profile revealed an atomic Se signal (1.39 mV). The powder X-ray diffraction (PXRD) pattern confirmed the hexagonal phase crystalline form of B@SeNPs. The zeta potential for SeNPs was determined to be -51.3 mV. Scanning electron microscope (SEM) and transmission electron microscopy (TEM) micrographs revealed spherical Se particles with sizes of roughly 62 nm. Furthermore, B@SeNPs can degrade methylene blue dye by 98.3% at 21 min with a rate constant of 0.1023 min-1 in the presence of NaBH4. In biological evaluation, the synthesized nanoparticles have been proven to be effective against two human cancers (AGS and MCF-7 cells) with IC50 values of 20.46 and 88.43 µg/mL, respectively. Additionally, B@SeNPs showed high safety in the Beas cell line (normal) at 123 µg/mL as the highest concentration. The biofabricated SeNPs had a moderate antibacterial effect against ATCC and multidrug-resistant clinical isolates. They had no antifungal activity against the tested fungus strains except C. albicans (IFRC 1873), with a MIC value of 138.75 µg/mL. Finally, the green-synthesized B@SeNPs could be a contender for further testing as a chemotherapeutic agent in the treatment of some human cancers
Quinoline analogue as a potential inhibitor of SARS-CoV-2 main protease: ADMET prediction, molecular docking and dynamics simulation analysis
Full text linkThe novel coronavirus (COVID-19) has triggered a major human turmoil worldwide by posing challenges regarding infection prevention, disease diagnosis, and treatment. Several drugs including remdesivir (RDV), hydroxychloroquine (HCQ), and others are being used to treat COVID-19, although these are not specifically proven drugs. Thus, it is very critical to understand COVID-19 drug targets and their interactions with candidate drugs. Here, we attempted in silico screening of ten quinoline analogs (Q1-Q10) against the five main proteases of SARS-CoV-2 by docking and dynamics analysis. The prediction of the ADMET profile showed that the best docked quinolines are safe and possess drug-like properties. The molecular interaction and binding affinity of these small molecules were determined with respect to the five protease (Mpro) targets of SARS-CoV-2 (PDB ID: 6LU7, 6W63, 6M03, 6Y84 and 6YB7). The study indicated that the quinoline ligands Q4, Q5, Q6, Q7, Q8, Q9, and Q10as probable inhibitors against SARS-CoV-2 Mpro and showed favorable binding interaction with the amino acid Glu166 of 6Y84, 6LU7and 6M03. Furthermore, Q9 has a highly significant docking score and binding affinity with all fiveCOVID-19 receptors having a minimum of two H-bonds, which is remarkable compared to HCQ, RDV, and other quinolines. The dynamics simulation analysis of this potent drug candidate Q9 with 6LU7 indicated high stability of the complex. In conclusion, our findings indicate that all of these quinolines in general possess good binding affinity and Q9 can serve as a good quinoline scaffold for the design of new antiviral agents to target the active site of SARS-CoV-2 MPro
A hydroxypropiophenone-based fluorescent probe for the selective determination of Al(III) ions in aqueous ethanol
Full text linkIn this work, we have synthesized a novel dihydrazone-based fluorescent probe N'1,N'2-bis{1-(2-hydroxyphenyl)propylidene}oxalohydrazide (H2hpoh)for Al3+ ions by a simple condensation reaction. The prepared organic probe has been characterized by different physicochemical and spectroscopic techniques. The single-crystal structure of the receptor has also been reported. Crystal data for C20H22N4O4: monoclinic, space group P21/c (no. 14), a = 6.0747(15) Å, b = 11.621(5) Å, c = 13.453(4) Å, β = 94.61(3)°, V = 946.6(5) Å3, Z = 2, T = 293(2) K, μ(MoKα) = 0.096 mm-1, Dcalc = 1.342 g/cm3, 4046 reflections measured (6.076° ≤ 2Θ ≤ 58.05°), 2149 unique (Rint = 0.0876, Rsigma = 0.2223) which were used in all calculations. The final R1 was 0.0972 (I > 2σ(I)) and wR2 was 0.2316 (all data). The ethanolic aqueous solution of the probe shows enhanced fluorescence in the presence of Al3+ ions, whereas no appreciable change in the spectral pattern is observed in the presence of other cations, i.e., Na+, K+, Ca2+, Ba2+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Cr3+, Cd2+ and Hg2+. The binding mode of the receptor with Al3+ ions was studied using various spectral titration techniques such as UV-visible, fluorescence, and 1H NMR. The receptor acts as a dibasic hexadentate ligand and interacts with two Al3+ ions with a high binding constant KB = 8.99×1010 1/M. The lowest detection limit for the Al3+ complex of H2hpoh was determined to be 7.8×10−5 M. With the help of DFT calculations, the mechanism of fluorescence enhancement has been explained
Isotopic study of rainfall and definition of local meteoric water lines: Case of the rainfall stations of the city of Bangui in Central African Republic
Full text linkThe study of the isotopic composition of rainwater discussed in this article allows isotopic characterization of rainfall recorded in the Bangui region over 11 years at two stations. It will highlight the relationships between isotopes, climatic parameters, and temporal variation before defining the local meteoric line, which constitutes the reference point for the region. The results obtained after a follow-up of eleven years without interruption showed two major physical effects, the effect of the rainfall influences more strongly the composition in isotopes, the contents in isotopes vary inversely with the precipitation. For example, heavy rainfall in August and September saw a strong depletion of δ¹⁸O and δ²H contents. These values reach up to -4.96‰ for δ¹⁸O and -28.3‰ for δ²H. Similar, although weaker, effects are observed for July and October precipitation. We also note that the isotope contents at the Bangui University station are lower than those measured at the Bangui Sodeca station located at 386 m altitude on the Lower Ubangi Hill, which is similar to a pseudo-altitude effect. The evolution of stable isotope content in water as a function of meteorological parameters (temperature, rainfall, altitude) has allowed us to determine a local meteorological line for the city of Bangui from two measuring stations defined as follows: δ2H = 7.6 × δ18O + 10.4 (R2 = 0.9909) Université de Bangui, δ2H = 8.4 × δ18O + 12.5 (R2 = 0.9909) Bangui-Sodeca and δ2H = 7.9 × δ18O + 11.3 (R2 = 0.9939) Bangui local meteoric water lines
Synthesis, crystal structure, DFT and Hirshfeld surface analysis of 4-fluoro-N-(1,3-dioxoisoindolin-2-yl)benzamide
Full text linkThe 4-fluoro-N-(1,3-dioxoisoindolin-2-yl)benzamide was synthesized by the reaction of 4-fluorobenzohydrazide with phthalic anhydride in acetic acid. The compound was characterized by analytical instruments like FT-IR and NMR. The three-dimensional structure of the title compound was further confirmed by single-crystal X-ray diffraction study. In addition to the experimental study, theoretical calculations were performed to explore the molecular structure in order to analyze experimental and theoretical findings. The title compound crystallizes in the monoclinic space group P21/n as determined by the X-ray diffraction investigation, crystal data for C15H9FN2O3·H2O: a = 14.094(6) Å, b = 7.248(3) Å, c = 14.517(6) Å, β = 105.116(14)°, V = 1431.6(10) Å3, Z = 4, T = 298(2) K, μ(MoKα) = 0.112 mm-1, Dcalc = 1.402 g/cm3, 37521 reflections measured (4.684° ≤ 2Θ ≤ 60.6°), 4225 unique (Rint = 0.0517, Rsigma = 0.0311) that were used in all calculations. The final R1 was 0.0537 (I > 2σ(I)) and wR2 was 0.1501 (all data). The N-H···O and O-H···O hydrogen bonds linking molecules in the crystal form a three-dimensional framework structure. The electronic states and molecular properties of the title compound were determined using computational studies, like density functional theory and Hirshfeld surface analysis