One of the significant public health challenges of the 21st century is bacterial antimicrobial resistance. Staphylococcus aureus is a highly threatening pathogen, infecting both immunocompetent and immunocompromised hosts. Herein, we describe an efficient one-pot, three-component procedure for synthesizing a new antibacterial series of 1,2,3-triazole-alpha-aminophosphonate acyclic nucleosides. The developed method was performed in the presence of iodine-doped natural phosphate (I2@NP), which is fully characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), and Fourier-transform infrared spectroscopy (FTIR). The prepared heterogeneous catalyst exhibits high catalytic activity for preparing alpha-aminophosphonate nucleosides. All prepared compounds were screened for their antibacterial activities. Furthermore, the 5-chlorouracil-alpha-aminophosphonate hybrid compound shows excellent activity against S. aureus, with MIC and MBC values of 0.06 and 0.13 mu mol/ml, respectively. Indeed, our synthesized product is 1.15-and 4.33-fold more potent than the reference drugs Rifampicin and Ampicillin, respectively. The 5-chlorouracil derivative does not show any toxicity at 100 mu M in normal cells. On the other hand, all prepared compounds were screened for their antiviral activities against RNA viruses, with no observed activities. The results of DFT and molecular docking simulations align with the antibacterial results, confirming the binding capability of hybrid compounds with DNA gyrase B protein by hydrogen bonds and other non-covalent interactions. Thus, the newly synthesized compounds possess attractive properties and could serve as templates for developing potential antimicrobial agents for clinical use.
Halogenated volatile organic compounds (VOCs) are classified as highly hazardous chemicals due to their toxicity, carcinogenicity, and contribution to global warming. The development of real-time, in situ visual devices for their detection remains a significant challenge. Herein, we report the facile synthesis of a hybrid 3D-coordination polymer (CP) exhibiting metal-organic framework (MOF)-like properties and luminescence turn-on/turn-off behaviour upon exposure to dihalomethane vapours. This material is obtained via the self-assembly of a thioether-functionalized polyhedral oligomeric silsesquioxane (POSS) with copper iodide at room temperature. Structurally, it consists of dissymmetric Cu4(& micro;3-I)4 cubane clusters acting as secondary building units (SBUs), characterized by partially exceptional long Cu-Cu distances. This porous material features one-dimensional channels with a pore-limiting diameter that selectively allows the uptake of small molecules such as dichloromethane and dibromomethane. Upon adsorption of these guest molecules, a rapid luminescence turn-on is observed. In-depth crystallographic analyses at variable temperature in the range from 100 to 300 K reveal formation of weak hydrogen-bonding interactions between the CP framework and the guest molecules. The enhanced emission is therefore attributed to the suppression of non-radiative decay due to restricted vibrational/rotational motions upon guest confinement. The weak nature of these interactions ensures the reversibility of the process. Moreover, the crystalline structure of the material is preserved during adsorption-desorption cycles, resulting in an excellent recyclability.
Recent studies suggest that Alzheimer’s disease may be influenced by microbial infections and may involve multiple microbial pathogens contributing to its development and progression. Based on this hypothesis, dual antimicrobial and anti-Alzheimer’s agents may provide advantages such as improved therapeutic effectiveness, treatment of infection-related Alzheimer disease, and reduced toxicity compared with single-target drugs. To discover novel therapeutic agents, a series of terpene-substituted pyrimidine derivatives were synthesized and evaluated for their antiviral, antibacterial, antifungal and anti-Alzheimer’s activities. All compounds were characterized by spectroscopic methods to support their structures. Among all compounds screened for their biological activity, compounds 11 and 32 displayed excellent IC50 values of 10.1 and 9.9 µM, respectively, against eqBChE in comparison with Food and Drug Administration (FDA)-approved drugs galantamine (IC50 = 20.6 µM) and donepezil (IC50 = 4.1 µM) for the treatment of Alzheimer’s disease (AD). Additionally, compound 32 exhibited promising antifungal activity against C. tropicalis (MIC = 0.83 µmol/ml and MFC = 1.69 µmol/ml), showing two-fold greater potency than fluconazole and three-fold greater potency than 5-fluorocytosine. Moreover, terpene derivative 32 showed moderate antibacterial activity against Pseudomonas aeruginosa, Staphylococcus aureus, Escherichia coli, and Enterococcus faecalis, with MIC and MBC values ranging from 3.35 to 6.71 µmol/ml. The docking studies of 32 with eqBChE supported the observed in vitro results. This study provides a promising lead compound with dual antimicrobial and anti-Alzheimer activity that may be further developed as a potential therapeutic agent for the treatment of Alzheimer’s disease. Synthesis and biological evaluation of terpene-substituted pyrimidine derivatives as dual antimicrobial and anti-Alzheimer’s agents with enhanced efficacy and molecular docking validation.
To address the growing threat of coinfections and microbial resistance, this study reports the synthesis of a novel multi-pharmacophore scaffold combining 2-quinolone, 1,2,3-triazole, benzofuran and N-acylhydrazone moieties. These hybrids were characterized spectroscopically and assessed for their antiviral, antibacterial and antifungal activities. Most of the tested compounds exhibited interesting efficacy against multiple microbial species. Compound 6a exhibited potent broad-spectrum antimicrobial activity; it completely inhibited E. coli and P. aeruginosa at 0.15 µmol/mL and showed even greater potency against S. aureus (0.08 µmol/mL), outperforming ampicillin and rifampicin. It also inhibited C. glabrata at 0.15 µmol/mL, being 22-fold more potent than fluconazole. Compound 6j displayed dual efficacy against HSV-2 (EC50 = 54.69 µM) and S. aureus (MBC = 0.13 µmol/mL), alongside activity against the fungal strains C. albicans, C. glabrata and C. tropicalis (all with MFCs of 0.25 µmol/mL). Compound 6 m was 4-fold more active than ampicillin against S. aureus (MIC = MBC = 0.07 µmol/mL) and was highly effective against all tested Candida strains (0.14–0.29 µmol/mL). Compound 6p demonstrated pronounced efficacy toward S. aureus and C. albicans at MICs of 0.07 µmol/mL. These active leads (6a, 6j, 6 m and 6p) presented low-to-moderate cytotoxicity on human embryonic lung (HEL) cells, showing morphological changes at MCC values ranging from 20 to 100 µM. Molecular docking revealed high microbial target affinities (binding energies from − 7.1 to − 11.0 kcal/mol), while dynamics simulations confirmed stable 6j binding to S. aureus DNA gyrase and HSV-2 protease. Coupled with favorable ADMET profiles, these hybrids represent promising multitarget antimicrobial candidates.
We report carboxymethyl cellulose (CMC) based ion-conductive ionogel membranes as solid electrolytes for solid-state energy storage applications. First, CMC was functionalized with imidazolium groups by grafting 1-glycidyl-3-vinylimidazolium chloride ([GVIm] Cl) and/or 1-glycidyl-3-methylimidazolium chloride ([GMIm] Cl) to produce imidazolium-modified biomaterials. In a second step, these polymers were crosslinked with polyethylene glycol diacrylate (PEGDA) in the presence of [BMIM] TFSI to form flexible ionogel membranes. The resulting materials were extensively characterized by FT-IR, NMR, SEM, TGA, and contact angle measurements. Electrical conductivity was systematically evaluated by dielectric measurements, revealing ionic conductivity of 6.38 & times; 10-4 S cm-1 at 100 degrees C. Ionic functionalization of CMC is crucial to confer compatibility and efficient IL entrapment properties to the biopolymer matrix, providing a scalable pathway toward high-performance, sustainable ionogel electrolytes for energy storage devices such as supercapacitors and batteries. By ionic functionalization of the CMC matrix, the amount of entrapped IL can be increased by a factor of 4. We also demonstrate that ionic grafting with imidazolium groups enhances membrane robustness and surface hydrophobicity. This work establishes a generalizable strategy to overcome biopolymer-ionic liquid incompatibility, opening pathways toward biosourced ionogels as sustainable solid electrolytes for next-generation energy storage devices.
Molecularly imprinted polymers (MIPs) are promising artificial receptors for biomolecular recognition, yet protein imprinting remains challenging due to denaturation and mass-transfer limitations during polymerization. Here, we report a soft and straightforward strategy to create biomimetic imprints directly inside silica capillaries via sol-gel polymerization of silylated amino acids under biocompatible conditions. The approach relies on the polymerization of silylated amino acids around adsorbed protein templates, generating hybrid organic-inorganic cavities that combine shape complementarity with tailored chemical functionalities. The resulting open-tubular imprinted capillaries were evaluated by capillary electrochromatography using proteins of different size and isoelectric point. All imprinted materials exhibited strong and selective recognition of their target proteins, with selective retention ratios exceeding 5, whereas non-target proteins displayed values below 2. The coatings showed excellent repeatability and long-term stability, with variations below 5% in electrochromatographic performance. Selective separations were achieved for several protein templates, including lysozyme, ribonuclease A, cytochrome C, α-lactalbumin and bovine serum albumin. Importantly, the imprinted capillaries maintained their selectivity in human plasma samples. The strategy was further extended to a nanobody template, yielding selective antibody-like molecular recognition in a complex biological matrix. This work demonstrates a versatile and protein-compatible route to create biomimetic recognition sites directly within capillary stationary phases. The proposed platform offers new opportunities for selective bioseparation, biomolecular analysis, and affinity-based analytical technologies.
Nanoparticle-doped optical fibers have experienced significant advancements in recent years, driven by their numerous applications. Nanoparticles (NPs) enable the isolation of luminescent ions from the silica matrix allowing precise engineering of luminescence properties. Additionally, light scattering induced by nanoparticles can also be exploited to develop sensors. The effectiveness of these applications relies on the ability to control the nanoparticle characteristics within the fiber. This study highlights the use of pre-synthesized zirconium oxide (ZrO2) nanocrystals as dopant with a particular focus on their characterization at every stage of the manufacturing process. The findings highlight the survival of ZrO2 nanocrystals throughout the entire process, from the preform to the as-drawn fiber, demonstrating the robustness and potential of this approach.
This study investigates the functionalization of Ge-Se-Te chalcogenide thin films using various organosilane precursors, including TEOS, OTES, APTES, ImPTES and MPTMS, to render them more hydrophilic or hydrophobic, or impart surface charges. The integrity of the deposited hybrid layers was confirmed by proton Nuclear Magnetic Resonance spectroscopy after alkaline depolymerization of test samples. The modified surfaces were characterized by Water Contact Angle measurements, Scanning Electron Microscopy and Atomic Force Microscopy. The ability of these functionalized surfaces to immobilize individual or mixed spores of two different varieties, Venturia inaequalis and Penicillium expansum, both responsible for fruit tree diseases, was evaluated. The two spore varieties behaved similarly, whether alone or mixed. Neither spore variety adhered to very hydrophilic surfaces. While the percentage of immobilized Venturia inaequalis spores increased with the surface hydrophobicity, Penicillium expansum spores were not immobilized on highly hydrophobic surfaces. Venturia inaequalis spores, characterized by a very negative zeta potential, were very well immobilized on positively charged surfaces. Consequently, the best immobilization percentage for this spore variety was obtained for the surface functionalized with ImPTES, a precursor characterized by a stable positive charge of imidazolium group. Penicillium expansum spores were less sensitive to positive charges due to their less negative zeta potential. The highest immobilization percentage for this spore variety was obtained with the precursor TEOS. One explanation could be the formation of hydrogen bonds.
We report bio-sourced electrically conductive materials derived from sugarcane bagasse cellulose. First, the cellulose was chemically transformed into carboxymethyl cellulose (CMC). Acrylamide (AM) and 2-acrylamido-2-methyl-1-propanesulfonic acid (AMPS) were co-polymerized with CMC, and the resulting material was cross-linked with N,N`-methylenebisacrylamide (MBA) to improve its mechanical properties. To further enhance the electrical performance, the materials were modified with reduced graphene oxide (rGO), nickel oxide (NiO) nanoparticles and rGO@NiO composites. The nanocomposites were then used as electrodes for solid-state supercapacitors. To evaluate the electrochemical properties of these materials, cyclic voltammetry (CV), galvanostatic charge-discharge (GCD), and electrochemical impedance spectroscopy (EIS) were performed. These results demonstrate enhanced electrochemical performance of the composite material modified with both rGO and NiO NPs. CV profiles exhibited well-defined redox peaks indicative of reversible faradaic processes, confirming high pseudocapacitance contributions. The optimized sample XGNi2.5 exhibited a high specific capacitance of 497.8 F g-1 at 0.5 A g-1, outstanding cycling stability with 91 % capacitance retention after 5000 cycles, and a maximum energy density of 44.2 Wh kg-1 at a power density of 226.2 W kg-1. EIS revealed low charge transfer resistance and efficient ion transport. These results underscore the potential of CMC/rGO/NiO composites as sustainable, high-performance electrode materials for next-generation supercapacitors.
Ammonium iodide-coated g-C 3 N 4 (NH 4 I@g-C 3 N 4 ) is investigated as a new and sustainable heterogeneous catalyst for the selective N 1-alkylation of pyrimidines.
With the aim to identify new antiviral agents with antibacterial properties, a series of 2-quinolone-1,2,3-triazole derivatives bearing α-aminophosphonates was synthesized and characterized by 1H NMR, 13C NMR, 31P NMR, single crystal XRD and HRMS analyses. These compounds were examined against five RNA viruses (YFV, ZIKV, CHIKV, EV71 and HRV) from three distinct families (Picornaviridae, Togaviridae and Flaviviridae) and four bacterial strains (S. aureus, E. feacalis, E. coli and P. aeruginosa). The α-aminophosphonates 4f, 4i, 4j, 4k, 4p and 4q recorded low IC50 values of 6.8-10.91 μM, along with elevated selectivity indices ranging from 2 to more than 3, particularly against YFV, CHIKV and HRV-B14. Besides, the synthesized compounds were generally more sensitive toward Gram-positive bacteria, with the majority of them displaying significant potency against E. feacalis. Specifically, an excellent anti-enterococcus activity was obtained by compound 4q with MIC and MBC values of 0.03 μmol/mL, which were 8.7 and 10 times greater than those of the reference drugs ampicillin and rifampicin, respectively. Also, compounds 4f, 4p and 4q showed potent anti-staphylococcal activity with MIC values varying between 0.11 and 0.13 μmol/mL, compared to 0.27 μmol/mL for ampicillin. The results from DFT and molecular docking simulations were in agreement with the biological assays, proving the binding capability of hybrids 4f, 4i, 4j, 4k, 4p and 4q with viral and bacterial target enzymes through hydrogen bonds and other non-covalent interactions. The in silico ADME/Tox prediction revealed that these molecules possess moderate to good drug-likeness and pharmacokinetic properties, with a minimal chance of causing liver toxicity or carcinogenic effects.
The use of heterogeneous catalysts to increase the development of green chemistry is a rapidly growing area of research to save industry money. In this paper, mesoporous SiO2-Al2O3 mixed oxide supports with various Si/Al ratios were prepared using two different sol–gel routes: hydrolytic sol–gel (HSG) and non-hydrolytic sol–gel (NHSG). The HSG route was investigated in both acidic and basic media, while the NHSG was explored in the presence of ethanol and diisopropyl ether as oxygen donors. The resulting SiO2-Al2O3 mixed oxide supports were characterized using EDX, N2 physisorption, powder XRD, 29Si, 27Al MAS-NMR and NH3-TPD. The mesoporous SiO2-Al2O3 supports prepared by NHSG seemed to be more regularly distributed and also more acidic. Consequently, a simple one-step NHSG (ether and alcohol routes) was selected to prepare mesoporous and acidic SiO2-Al2O3-NiO mixed oxide catalysts, which were then evaluated in ethylene oligomerization. The samples prepared by the NHSG ether route showed better activity than those prepared by the NHSG alcohol route in the oligomerization of ethylene at 150 °C.
Siloxene nanosheets combined with ZnO nanorods as dielectric capacitors.
Halogenated N-heterocycles are an essential structural building block in medicinal chemistry. Herein, we describe an economical and efficient protocol for the regioselective halogenation of several N-heterocycles (pyrimidines, a pyrazole, 2-aminopyridine, theophylline, and an imidazo[1,2-a]pyridine) with BF3-doped montmorillonite (BF3@K10). The new catalyst was characterized by FTIR and B-11 NMR spectroscopy, XRD, SEM, and EDS. The developed strategy provides easy and fast access to iodo-, bromo-, and chloro-N-heterocycles under mild conditions. This method was used to synthesize nine new halogenated pyrimidine derivatives. The reaction is simple and general, affording good to excellent yields of products under conventional heating or microwave conditions in the presence of BF3@K10 as an ecofriendly, inexpensive, and efficient catalyst. This protocol is clearly superior to the conventional route because it offers short reaction times, high yields, and easy workup.
Highly ordered bio-sourced MCM-41 functionalized with amide derivatives of amino acids (AA) was successfully synthesized and applied for protein separation.
This work focuses on a capacitive biosensor based on a hydride peptide for the detection of MMP-13.Indeed, the enzyme MMP-13 is a remarkable indicator of inflammation in chronic wounds.To achieve specific detection of this enzyme, a metallocene was added to the peptide which amplifies the electrical variation allowing for proof of concept and reliability.
We report the ionothermal carbonization (ITC) of lignocellulosic biomass in imidazolium tetrachloroferrate ionic liquids (ILs) as an advantageous approach for the preparation of nanostructured carbonaceous materials, namely, ionochars. In a previous study, we investigated the role of the imidazolium cation and demonstrated the possibility of controlling both the textural and morphological properties of ionochars by cation engineering. Although essential for providing intermediate Lewis acidity and relatively high thermal stability, the role of the chloroferrate anion is still open to debate. Herein, we investigated the ITC of sugarcane bagasse and its main component, cellulose, in 1-alkyl-3-methylimidazolium ILs with different chloroferrate anions. We identified anionic speciation and its impact on the properties of the IL by Raman spectroscopy, thermogravimetric analysis, and differential scanning calorimetry. The obtained ionochars were characterized by gas physisorption, electron microscopy, Raman spectroscopy, Fourier transform infrared (FTIR) spectroscopy, and 13C solid-state CP-MAS NMR spectroscopy. We show that the anionic species have a predominant impact on the textural and morphological properties of the ionochars.
The project to which this work relates aims to propose an integrated infrared optical solution to meet the current objective of reducing the use of phytosanitary inputs in agriculture. Its main objective is to prove the feasibility of hybrid optical micro-sensors that will allow early detection of plant diseases, via the detection of spores of phytopathogenic fungi. The innovation produced should make it possible to avoid systematic preventive treatments, thanks to a better targeted decision support. Due to their transparency in the infrared range where many absorption lines of spores are located, chalcogenide glasses are materials of choice for the realization of biosensors. The specific functionalization of the chalcogenide waveguides and the multivariate analysis of the spectral measurements will make it possible to increase the sensitivity of the probes and make them selective regarding the different types of spores and to discriminate any other element detected (pollen, dust for example). We are thus currently interested in the functionalization of activated GeSeTe thin layers with monosilylated functional groups. The advantage of sol-gel chemistry is that it allows multi-functionalization in a single step. In the context of spore detection, which generally involves several sites, the immobilization of several functions is therefore be studied.