Hasil untuk "Inorganic chemistry"

Abdelhafid Najim, Lhouceine Moulaoui, Mohamed Al-hattab et al.

This paper investigates the electronic and optical properties of porphine-functionalized single-walled carbon nanotube (SWCNT) compound using density functional theory (DFT). The functionalization of pristine SWCNT with porphine, according to numerical simulations, increases the band gap energy of the SWCNT material from 0.288 eV to 0.361 eV. As a result, there is a change in the total density of states (TDOS) peaks near to the Fermi level. After the combination of SWCNT and porphine chain, the absorption coefficient of the pristine SWCNT increases in the visible region while decreasing in the ultraviolet range. The observed redshift in the absorption peak of the functionalized SWCNT is attributed to the J-aggregate character. The electronic and optical characteristics of the SWCNT structure are strongly influenced by porphine functionalization. As a result, the porphine-functionalized SWCNT system shows great potential for various applications in materials science, particularly in optoelectronics.

Brayan J. Anaya, Lina Raudone, Isabel Ureña-Vacas et al.

This study investigates the phytochemical profile, antioxidant and anti-inflammatory properties, and 3D-printing application of <i>Origanum vulgare</i> L. ssp. <i>hirtum</i> extract. The extract revealed a diverse range of phenolic compounds, with rosmarinic acid as the predominant compound (47.76%). The extract showed moderate to high lipoxygenase inhibition (IC₅₀ = 32.0 µg/mL), suggesting its potential as an anti-inflammatory agent. It also exhibited strong antioxidant activity, with hydrogen peroxide scavenging (SC₅₀ = 99.2 µg/mL) and hydroxyl radical scavenging (IC₅₀ = 64.12 µg/mL) capabilities. In cellular studies, high concentrations (50 µg/mL and 100 µg/mL) significantly decreased intracellular ROS production in Caco-2 cells (reductions exceeding 53% and 64%, respectively). Moreover, the extract suppressed NO production in LPS-stimulated J774A.1 macrophages in a concentration-dependent manner. The study also explores the incorporation of the extract into 3D-printed gummies. The gels exhibited a shear-thinning behavior, which was essential for successful extrusion-based 3D printing. The incorporation of <i>Origanum</i> extract significantly influenced the mechanical strength and compaction properties of the 3D-printed gummies before breaking (1.6-fold increase) allowing for a better mouth feeling. PXRD and FTIR analyses confirmed the amorphous nature of the 3D-printed gummies and the interaction between active ingredients and excipients utilized for printing. These findings demonstrated the potential for semisolid extrusion 3D printing at room temperature to transform a culinary herb (<i>Origanum vulgare</i> spp. <i>hirtum</i>) into a healthcare product with antioxidant and anti-inflammatory properties.

Tianhang Zhang, Yonggui Dai, Shuai Ren et al.

To address the issues of insufficient protection and poor durability in concrete during service, this study developed a novel polymer–silicate composite gel system by combining silane with fluorocarbon resin emulsion and applied it to mortar specimens. The chloride ion resistance enhancement of mortar provided by the novel gel system was evaluated using the RCM method and natural chloride ion penetration tests, with SEM images employed to analyze its anti-permeation mechanism. Results indicate that the chloride ion migration coefficient of the novel composite gel system is 4.91 × 10⁻¹² m²/s, representing a 63.97% reduction compared to the single fluorocarbon gel system. Within the 0–5 mm depth range, free chloride ion contents at 14, 28, and 56 days decreased by 55.35%, 50.10%, and 43.64%, respectively, demonstrating excellent resistance to chloride penetration. Acid and alkali resistance tests demonstrated that the system retained the inherent corrosion resistance of the fluorocarbon component. Carbonation tests demonstrated that the system exhibited a slight decrease in carbonation resistance compared with the pure fluorocarbon gel system, while still maintaining a satisfactory performance level. Overall, the polymer-silicate composite gel system significantly enhanced the mortar’s resistance to chloride ion penetration.

Shenglong Shi, Jinsheng Sun, Shanbo Mu et al.

Aiming at the problem that conventional friction reducers used in fracturing cannot simultaneously possess properties such as temperature resistance, salt resistance, shear resistance, rapid dissolution, and low damage. Under the design concept of “medium-low molecular weight, salt-resistant functional monomer, supramolecular physical crosslinking aggregation, and enhanced chain mechanical strength”, acrylamide, sulfonic acid salt-resistant monomer 2-acrylamide-2-methylpropanesulfonic acid, hydrophobic association monomer, and rigid skeleton functional monomer acryloyl morpholine were introduced into the friction reducer molecular chain by free radical polymerization, and combined with the compound suspension technology to develop a new type of multi-functional viscous friction reducer suspension (SAMD), the comprehensive performance of SAMD was investigated. The results indicated that the critical micelle concentration of SAMD was 0.33 wt%, SAMD could be dissolved in 80,000 mg/L brine within 3.0 min, and the viscosity loss of 0.5 wt% SAMD solution was 24.1% after 10 min of dissolution in 80,000 mg/L brine compared with that in deionized water, the drag reduction rate of 0.1 wt% SAMD solution could exceed 70% at 120 °C and still maintained good drag reduction performance in brine with a salinity of 100,000 mg/L. After three cycles of 170 s⁻¹ and 1022 s⁻¹ variable shear, the SAMD solution restored viscosity quickly and exhibited good shear resistance. The Tan <i>δ</i> (a parameter characterizing the viscoelasticity of the system) of 1.0 wt% SAMD solution was 0.52, which showed a good sand-carrying capacity, and the proppant settling velocity in it could be as low as 0.147 mm/s at 120 °C, achieving the function of high drag reduction at low concentrations and strong sand transportation at high concentrations. The viscosity of 1.4 wt% SAMD was 95.5 mPa s after shearing for 120 min at 140 °C and at 170 s⁻¹. After breaking a gel, the SAMD solution system had a core permeability harm rate of less than 15%, while the SAMD solution also possessed the performance of enhancing oil recovery. Compared with common friction reducers, SAMD simultaneously possessed the properties of temperature resistance, salt resistance, shear resistance, rapid dissolution, low damage, and enhanced oil recovery. Therefore, the use of this multi-effect friction reducer is suitable for the development of unconventional oil reservoirs with a temperature lower than 140 °C and a salinity of less than 100,000 mg/L.

Petya Emilova Marinova, Nikola Burdzhiev, Evelina Varbanova et al.

(This paper presents the synthesis of a novel copper(II) metal complex with ethyl (2-(methylcarbamoyl)phenyl)carbamate and 3-methylquinazoline-2,4(1<i>H</i>,3<i>H</i>)-dione. The characterization of the compound was conducted through various techniques, including melting point determination, microwave plasma atomic emission spectrometry (MP-AES) for Cu, attenuated total reflection (ATR), IR, ¹H NMR, and ¹³C NMR spectroscopy. The coordination compound was obtained after mixing water solutions of the metal salt and the ligand dissolved in DMSO and water solutions of NaOH, in a metal-to-ligand-to-base ratio of 1:2:2. The ligand and the metal chloride were brought into the reaction at room temperature in DMSO and H₂O as solvents, respectively. The results indicate the successful formation of a stable mixed-ligand Cu(II) coordination compound involving N,O-donor ligands. Based on the obtained data, we assumed that the ligands are coordinated through N- and O-donor atoms. Spectroscopic data suggested that the ligand (3-methylquinazoline-2,4(1<i>H</i>,3<i>H</i>)-dione), by using (NaOH), coordinated to a metal ion as a monodentate ligand through the nitrogen atom of the NH group and ethyl (2-(methylcarbamoyl)phenyl)carbamate coordinated in a bidentate fashion through the N- and O-donor atoms of ester group. Additionally, two hydroxyl groups were bridged for two metal ions into the formed dimer structure.

Bastien Moreno, Isabelle Jourdain, Michael Knorr et al.

To extend the existing library of arylidenerhodanines which display a potential biological activity, 3-<i>N</i>-allylrhodanine <b>1</b> was condensed under Knoevenagel conditions with <i>p</i>-nitrobenzaldehyde in acetic acid to afford the π-conjugated heterocyclic compound 3-allyl-5-(4-nitrobenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one <b>2</b>. Compound <b>2</b> was characterized by IR and NMR spectroscopy, and its UV-vis spectrum was compared with that of compound 3-allyl-5-(4-methoxybenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one <b>3.</b> The molecular structure is ascertained by a single-crystal X-ray diffraction study performed at 100 K.

Stephan V. Kozhukharov, Christian Girginov, Stefania Portolesi et al.

Although their exceptional re-passivation ability, Al-alloys are susceptible to corrosion due to the amphoteric nature of the alumina passivation films. This issue is exacerbated by the disruption of these films by intermetallics on the surfaces of highly doped ones, like AA2024-T3 aircraft alloy. The combination of anodized aluminium oxide (AAO) and cerium conversion coatings (CeCC) shows promise as a coating primer. However, the defective structures of CeO2 and Al2O3 require additional sealing. This research proposes sealing the CeCC/AAO layer by boiling it for 10 minutes in two relatively neutral Lourier buffers, adjusted to pH 7.75, and in a mixture of them. The samples underwent a series of analyses to compare the impact of the sealing procedure on surface topology, properties (e.g., colour and wettability on two samples from each set), and corrosion protective ability. It was assessed after 24 hours of exposure to 3.5 % NaCl model corrosive medium on six samples from each set. The assessments included electrochemical impedance spectroscopy (EIS) and potentiodynamic scanning (PDS) techniques. The results indicate that the borate buffer improves the corrosion protection of the coating primers more effectively than the phosphate and mixed ones.

Saeedeh Khadivi-Derakhshan, Mohammad Abbasi, Amirhossein Akbarzadeh et al.

Abstract A novel electrochemical probe is developed to detect amlodipine (AMD) in unprocessed plasma samples. The fabrication process involves the synthesis of platinum nanocubes (Pt NCs) and Mn(TPDCA)2 complexes, which are then immobilized them onto the glassy carbon electrode (GCE) surface. The developed electrochemical probe demonstrates exceptional detection performance, with a wide dynamic range, outstanding selectivity, and commendable reproducibility. The linear range and lower limit of detection of the developed method are 53 nM-3.5 µM and 53 nM, respectively. Electrochemical experiments have been conducted to study the kinetics of electrooxidation on the modified electrode, revealing that the process is diffusion-controlled. Furthermore, method validation studies are performed to assess the accuracy, precision, and selectivity of the sensor, demonstrating excellent performance in all these aspects. Consequently, it can be concluded that the sensor is highly suitable for practical applications in drug analysis.

Nina Kaneva, Albena Bachvarova-Nedelcheva

This study aims to synthesize TiO₂/ZnO powders and to study the effect of heat treatment on their photocatalytic ability against the Tartrazine anionic dye. The as-obtained powders with the following compositions—90TiO₂/10ZnO and 10TiO₂/90ZnO (mol%)—were obtained by the sol–gel technique. The prepared gels were annealed at 500 °C and 700 °C and subsequently characterized by XRD, UV–Vis, and SEM methods. The single crystalline phase of TiO₂, which has been detected at up to 500 °C is anatase, while for ZnO, it is the hexagonal wurtzite structure. Further increases in the temperature (700 °C) led to the appearance of rutile in the samples. The SEM analysis demonstrated that the binary oxide materials had irregular shaped particles with a tendency to agglomerate. The UV–Vis spectra of the gels exhibited a red shift in the cut-off of the 90TiO₂/10ZnO sample compared with pure Ti(IV) butoxide. Photocatalytic tests showed that the investigated samples possessed photocatalytic activity toward Tartrazine. Compared with TiO₂, the prepared TiO₂/ZnO photocatalysts showed superior properties in the photodegradation of a Tartrazine water solution. The target photocatalysts’ enhanced photocatalytic activities can be explained by their reduced band gap energy, improved surface physicochemical characteristics, separation of photo-induced electron–hole pairs, and lowered recombination rate. Higher photocatalytic activity was observed for powders annealed at 500 °C, with the 10TiO₂/90ZnO (mol%) sample exhibiting the highest photocatalytic degradation of the used organic dye.

Elizabeth Gager, Juan C. Nino

Multicomponent doping of ceria with four cations is used as a preliminary investigation into the ionic conductivity of high-entropy-doped ceria systems. Different compositions of Ce_1-x(Nd_x/4Pr_x/4Sm_x/4Gd_x/4)O_2-δ (x = 0.05, 0.10, 0.15, and 0.20) are synthesized using the oxalate co-precipitation method yielding single-phase oxalate precursors. X-ray diffraction, Raman spectroscopy, and Fourier-transform infrared spectroscopy are used to characterize the precipitated oxalates. Simultaneous thermal gravimetric analysis and differential scanning calorimetry reveal a two-step decomposition of the oxalates into the doped oxide. The ionic conductivity of the samples is measured from 250 °C to 600 °C using electrochemical impedance spectroscopy. All samples exhibit similar grain conductivity values at 600 °C, comparable to singly doped samples. However, an increase in total conductivity is observed with an increase in doping concentration up to 15% followed by a decrease beyond this concentration. These findings suggest that multicomponent doping may not significantly enhance the grain conductivity of doped ceria beyond conventional single and co-doped compositions but can modulate the grain boundary conductivity and thus the total conductivity of ceria ceramics.