Frontiers in Chemistry

Introduction: The process of green synthesis of metal nanoparticles is considered to be eco-friendly and cost-effective. Methods: In this study, bimetallic Ag@Se-P and Ag@Se-S nanoparticles were synthesized successfully using Parkinsonia aculeata aerial parts and seed extracts. The phytochemical contents in P. aculeata aerial parts and seed aqueous extract serve as reducing and stabilizing capping agents without the need for any chemical stabilization additive in the synthesis of bimetallic nanoparticles. Result and Discussion: The obtained results from UV-vis spectrophotometry, scanning electron microscopy (SEM), X-ray powder diffraction (XRD), energy-dispersive X-ray spectroscopy (EDS), transmission electron microscopy (TEM), and Fourier-transform infrared spectroscopy (FT-IR) confirmed the successful synthesis of bimetallic nanoparticles with cluster irregular spherical morphology, crystalline nature, and average particle sizes of 17...

The immobilization of high-level nuclear waste (HLW) in glass waste matrices provides the key safety function of slowing down radionuclide emissions from an underground disposal site. This study examines the leaching behavior of two major elements, Na and Si, in HLW borosilicate glass simulated from waste of a 1000 MWe class pressurized water reactor (PWR) using response surface methodology and Box-Behnken Design. The design of the experiment was carried out considering three independent variables: the pH of the solution, the contact time, and the leaching temperature, leading to 17 leaching runs performed using the static product consistency test (PCT)...

Thermally activated delayed fluorescence (TADF) materials with high photoluminescence quantum yields and fast reverse intersystem crossing (RISC) capabilities are highly desirable for applications in high-efficiency organic light-emitting diodes. Herein, we report the synthesis as well as structural and photophysical properties of 5,9-diselena-13b-boranaphtho[3,2,1- de ]anthracene ( SeBSe ) as a narrowband-emissive TADF material. The incorporation of two selenium atoms into the boron-fused pentacyclic π-core results in a small singlet-triplet energy gap (Δ E ST ) and thereby significant TADF properties...

The effects of different contents of e-waste alloy on the microstructure and joint properties of Cu90PSn brazing filler metal was investigated during copper and copper brazing. Microstructure of base metal and brazing filler metal was studied with scanning electronic microscopy (SEM). The properties of brazing joint obtained by adding different electronic waste filler metal for smelting copper alloy were compared together. The results indicated that the fluidity of Cu90PSn brazing filler metal was weakened and the spreading property of Cu90PSn brazing filler metal was damaged after the addition of e-waste copper alloy...

[This corrects the article DOI: 10.3389/fchem.2024.1355646.].

Introduction: Cancer is the second most prevalent cause of mortality in the world, despite the availability of several medications for cancer treatment. Therefore, the cancer research community emphasized on computational techniques to speed up the discovery of novel anticancer drugs. Methods : In the current study, QSAR-based virtual screening was performed on the Zinc15 compound library (271 derivatives of methotrexate (MTX) and phototrexate (PTX)) to predict their inhibitory activity against dihydrofolate reductase (DHFR), a potential anticancer drug target...

Over the last decades, porous organic materials (POMs) have been extensively employed in various industrial approaches including gas separation, catalysis and energy production due to possessing indisputable advantages like great surface area, high permeability, controllable pore size, appropriate functionalization and excellent processability compared to traditional substances like zeolites, Alumina and polymers. This review presents the recent breakthroughs in the multifunctional POMs for potential use in the membrane-based CO2 separation...

Nitrobenzene (NB) is one of the major organic pollutants that has seriously endangered human health and the environment even in trace amounts. Therefore, it is of great significance to detect trace NB efficiently and sensitively. Herein, a porphyrinic metal-organic framework (MOF) of Mn-PCN-222 (PCN, porous coordination network) was first synthesized by the coordination between Zr6 cluster and tetrakis (4-carboxyphenyl)-porphyrin-Mn (Ⅲ) (MnTCPPCl) ligand. To regulate its structure and the electrochemical properties, a phenyl group was inserted in each branched chain of TCPP to form the TCBPP organic ligand...

Habenaria aitchisonii Reichb was analyzed in this research, including its chemical composition and its in vitro antioxidant, anti-inflammatory, acute oral toxicity, and antinociceptive activity. The chloroform and ethyl acetate fractions were found to be the most powerful based on in vitro antioxidant, anti-inflammatory, and analgesic assays. The acute oral toxicity of the crude methanolic extract was determined before in vivo studies. The acetic acid and formalin tests were used to measure the antinociceptive effect, and the potential mechanisms involved in antinociception were explored...

Introduction: Blood group antigens of the RH system (formerly known as "Rhesus") play an important role in transfusion medicine because of the severe haemolytic consequences of antibodies to these antigens. No crystal structure is available for RhD proteins with its partner RhAG, and the precise stoichiometry of the trimer complex remains unknown. Methods: To analyse their structural properties, the trimers formed by RhD and/or RhAG subunits were generated by protein modelling and molecular dynamics simulations were performed...

Introduction: Cancer, a significant global health concern, necessitates innovative treatments. The pivotal role of chronic inflammation in cancer development underscores the urgency for novel therapeutic strategies. Benzothiazole derivatives exhibit promise due to their distinctive structures and broad spectrum of biological effects. This study aims to explore new anti-tumor small molecule drugs that simultaneously anti-inflammatory and anticancer based on the advantages of benzothiazole frameworks. Methods: The compounds were characterized by nuclear magnetic resonance (NMR), liquid chromatograph-mass spectrometer (LC-MS) and high performance liquid chromatography (HPLC) for structure as well as purity and other related physicochemical properties...

The process of developing of new drugs is greatly hampered by their inadequate physicochemical, pharmacokinetic, and intrinsic characteristics. In this regard, the selected chloro indolinone, (Z)-6-chloro-3-(2-chlorobenzylidene)indolin-2-one (C1), and nitro indolinone, (Z)-6-chloro-3-(2-nitrobenzylidene)indolin-2-one (C2), were subjected to SwissADME and density function theory (DFT) analysis. For compounds C1 and C2, the BOILED-Egg pharmacokinetic model predicted intestinal absorption, blood-brain barrier (BBB) penetration, and p-glycoprotein interaction...

This work refers to the synthesis and characterization of poly (3-hydroxybutyrate)-b-oligo (2-ethyl oxazoline) (oligoEtOx). Cationic ring-opening polymerization of 2-ethyl oxazoline yielded poly (2-ethyl oxazoline) (oligoEtOx) with a hydroxyl end. Carboxylic acid-terminated PHB was reacted with oligoEtOx via dicyclohexylcarbodiimide chemistry to obtain PHB-b-oligoEtOx conjugates. The obtained PHB-b-oligoEtOx conjugates were successfully characterized by 1 H- and 13 C NMR, FTIR, DSC, and size exclusion chromatography...

The CuMgAl-x catalysts derived from hydrotalcite precursors with different Mg/Al molar ratios were synthesized and applied to CO2 hydrogenation to methanol reaction. In this study, the effects of Mg/Al molar ratio on the structure and surface properties of CuMgAl-x catalysts were investigated by XRD, N2 adsorption-desorption, SEM, TEM, H2 -TPR, CO2 -TPD, XPS, and in situ DRIFTS characterization methods. The results showed that an appropriate Mg/Al molar ratio can enhance the Cu-MgO interaction, increasing the basic sites and obtaining suitable acid sites...

Isotactic poly (1-butene) (iPB) is an interesting semi-crystalline thermoplastic material characterized by notable physical and mechanical attributes encompassing superior creep and stress resistance, elevated toughness, stiffness, and thermal endurance. These distinctive features position iPB as a viable candidate for specific applications; however, its widespread utilization is hindered by certain inherent limitations. Indeed, iPB manifests an intricate polymorphic behavior, and the gradual and spontaneous transition of the kinetically favored form II to the thermodynamically favored form I during aging introduces alterations to the material's properties...

Surface-enhanced Raman spectroscopy (SERS) has been widely used in the analysis of analytes because of its unique fingerprint characteristics, high sensitivity, and fast detection response. MXene is widely used in SERS studies among the various substrates due to its ultra-high chemical stability, excellent conductivity, hydrophilicity, and low fabrication cost. This mini-review summarizes MXene's research in the SERS field from two aspects. We reviewed MXene materials used as SERS substrates alone and combined with noble metal particles primarily...

The presence of organic dyes in wastewater raises significant environmental and human health concerns, owing to their high toxicity. In light of this, a novel adsorbent material with porous cryogel architecture was developed and employed for the effective removal of organic dyes from an aqueous solution. Initially, a titanium dioxide nanowire doped with zirconium HZTO was synthesized by the hydrothermal process. Subsequently, the beads (SA/HZTO) of sodium alginate and HZTO were successfully prepared through a cross-linking process, employing Ca2+ ions as the crosslinking agent...

Urease, a nickel-dependent enzyme found in various life forms, catalyzes urea breakdown, concluding nitrogen metabolism by generating ammonia and carbamate. This process causes a rise in pH, supports the survival of pathogens, and can lead to infections such as gastric disorders like ulcers and cancer in humans. Helicobacter pylori employs urease for survival in the acidic environment of the stomach and in protein synthesis. To treat such infections and inhibit the growth of pathogens, it is mandatory to obstruct urease activity; therefore, derivatives of 1-(3-nitropyridin-2-yl)piperazine were synthesized ( 5a-o ; 7a-k )...

In recent years, there has been a considerable rise in the production of novel metabolites derived from fungi compared to the ones originating from bacteria. These organic substances are utilized in various sectors such as farming, healthcare, and pharmaceutical. Since all dividing living cells contain primary metabolites, secondary metabolites are synthesized by utilizing intermediate compounds or by-products generated from the primary metabolic pathways. Secondary metabolites are not critical for the growth and development of an organism; however, they exhibit a variety of distinct biological characteristics...

A key challenge for the effective treatment of intestinal diseases, including inflammatory bowel disease (IBD), is to develop an oral drug delivery system that can resist gastric acid erosion and efficiently release drugs after rapid entry into the intestine. In the present work, we developed oral composite nanoparticles (MSZ@PRHS) consisting of a rough mesoporous silica (RHS) loaded with Mesalazine (MSZ) and a CAP polymer membrane for targeted relief of inflammation in colitis. At the pH values of the simulated stomach and small intestine, the release rate of MSZ from MSZ@PRHS was low, while at the pH values of the simulated colon, the release rate of MSZ was high...