TiO2-coated graphene oxide-molybdate complex as a new separable nanocatalyst for the synthesis of pyrrole derivatives by Paal-Knorr reaction

The preparation of chemical and pharmaceutical compounds through organic reactions has always been associated with the production of environmental waste. Growth population and concerns about ecological pollution increase the interest in using heterogeneous solid catalysts with capabilities such as increasing reaction efficiency and reducing the production of by-products, as well as the ability to separate and reuse. To develop and benefit such catalysts as much as possible, in this study, using graphene oxide (GO) as a support, we succeeded in preparing a heterogeneous catalyst with a high contact surface, excellent performance, and recyclability. Graphene oxide nanosheets were synthesized according to Hummer’s method. hexamolybdate anions ([n-Bu₄N]₂[Mo₆O₁₉]) were placed on this support as a catalytically active site using linkers. The structure of this catalyst was confirmed by XRD, FT-IR, EDS, SEM, TEM, TGA, Raman, and nitrogen adsorption–desorption analyses, and it was used to produce pyrroles by the Paal-Knorr method. The performance of the synthesized nanocatalyst was satisfactory for all the derivatives studied. Recovery and reuse of GO@TiO₂@(CH₂)₃N = Mo[Mo₅O₁₈] after catalytic reactions were examined. This catalyst could be quickly recovered by simple filtration and recycled ten times without significant loss of its catalytic activity.     

Combined DFT and wave function theory approach to excited states of lanthanide luminescent materials: A case study of LaF3:Ce3+

Lanthanide luminescent materials play key roles in modern society, but their first-principles treatment remains a great challenge due to complex manifold of electronic excited states and the difficulty in performing excited state structural relaxations that is necessary to model luminescent properties. Herein, we propose a practical approach that combines embedded cluster model (ECM) based multi-configurational wave function theory (WFT) and occupancy constrained density-functional theory plus the Hubbard U correction (OC-DFT + U) to treat lanthanide doped luminescent materials, using LaF₃:Ce³⁺, a typical scintillator with low symmetry, as a case study. We show that the combined approach yields accurate absorption energies with an error on the order of 200 cm⁻¹, but the emission energies are significantly underestimated, the origin of which is further clarified by vibrationally resolved absorption and emission spectra calculation. This work demonstrates the possibility of combining ECM-based wave function theory and periodic DFT into a comprehensive computational scheme for lanthanide luminescent materials and highlights the limitations of the current implementation of OC-DFT + U for excited state structural optimization.     

1D iron vanadate-reduced graphene oxide nanorod composite for efficient oxidative esterification of aldehydes

In this paper, we report a facile and one-pot hydrothermal synthesis of FeVO₄-rGO nanorod composite and its application as a heterogeneous catalyst in the oxidative esterification reaction of aldehydes using hydrogen peroxide oxidant. The nanomaterial is thoroughly characterized by different techniques, namely, XPS, FESEM, elemental mapping, XRD, Raman, HRTEM, etc. The as-prepared nanocatalyst shows good activity for the controlled base-free oxidative esterification of various aromatic aldehydes in alcohol solvents under refluxing conditions, achieving good yields of the desired esters. Furthermore, the substrate scope was explored over a wide array of substituted aromatic aldehydes with diverse electron-withdrawing and electron-donating groups in the phenyl ring. The presence of heterogeneous interfaces-induced properties in the nanorod composite results in synergistic effects to provide good catalytic performance. Thus, binary transition metal oxide-reduced graphene oxide-based nanocomposite as a nanocatalyst can open doors for efficient and sustainable esterification of aromatic aldehydes and aliphatic alcohols under oxidative conditions.     

Zinc oxide nanoparticles synthesized using Oldenlandia Umbellata leaf extract and their photocatalytic and biological characteristics

The aim of this study was to examine the environmentally friendly green production of zinc oxide nanoparticles (ZnO NPs) utilizing Oldenlandia Umbellata (OU) leaves extract, as well as to study the photo catalytic and biological activities of these particles. XRD, UV-Visible, FT-IR, SEM, EDAX, TEM and Zeta potential studies were used to investigate the purity and properties of as synthesized ZnO NPs. From the FT-IR investigations presenting functional groups were verified. The hexagonal form and wurtzite crystal nature were confirmed by SEM and XRD photographs. The decreasing zeta potential of ?23.7 mV suggested the stability of OU-ZnO NPs, which was validated by Zeta potential and EDAX measurements. The OU-ZnO NPs' photo catalytic activity was also examined using their methylene red dye degradation potential. It also has a DPPH test that revealed it had a 66% radical scavenging activity. Furthermore, this substance was proven to be an effective anti-fungal agent against Candida albicans, which demonstrated a maximum mycelial inhibition of 12.5 ± 0.7. Additionally, the biosynthesized nanoparticles had high antibacterial activity verses all of the microbiological strains tested to varying degrees.     

One-step synthesis of VB2 powder by epoxy-assisted borothermal reduction of V2O5

Vanadium diboride was directly synthesized by borothermal reduction of V₂O₅ with the addition of epoxy resin as a reducing agent for the low-temperature reduction of vanadium(V) to vanadium(IV), which leads to the gradual removal of oxygen by the formation of CO gas. The slow rate of gas release prevents destruction of green body, which usually occurs during conventional borothermal reduction. This makes it possible to directly obtain VB₂ powder with an average particle size of 200–300 nm without need to prepare intermediate lower vanadium oxides.     

CoFe2O4/CuO活化过氧乙酸高效降解磺胺甲恶唑(英文)

利用化学沉淀法和溶胶凝胶法,通过两步法成功制备出含有尖晶石钴铁氧体和氧化铜的复合催化剂CoFe₂O₄/CuO,通过扫描电子显微镜(SEM)、X射线光电子能谱(XPS)和X射线衍射(XRD)对制备出的CoFe₂O₄/CuO进行表征,探究不同高级氧化体系对磺胺甲恶唑(SMX)去除能力,考察过氧乙酸(PAA)浓度、催化剂投加量、水体中常见干扰物质(Cl^-,HCO-3,SO₄^2-,HA)和不同自由基捕获剂对SMX去除的影响。分析结果表明CoFe₂O₄/CuO同时具有CoFe₂O₄与CuO的特征,对比单独CoFe₂O₄与CuO,CoFe₂O₄/CuO对PAA展现出极高的活化性能,在最佳反应条件下(催化剂投加量=20mg·L^-1,c(PAA)=200μ...     

锰离子氧化沉淀法实现锂离子电池LiNi0.8Co0.05Mn0.15O2材料的回收和利用

以浓盐酸为浸出剂,以NaOH和NH₄HCO₃为沉淀剂,利用Mn²⁺在碱性条件下的氧化反应改变离子的沉淀次序进而分步回收的方案,探究了浓盐酸酸浸处理三元正极材料LiNi_0.8Co_0.05Mn_0.15O₂的最佳条件。在分步沉淀过程中,Mn²⁺被氧化为不溶于非还原性酸的MnO （OH）₂,并在酸性条件下回收。Ni、Co则在碱性条件下利用NaOH回收,而Li则利用NH₄HCO₃回收。该方法中Mn的回收率达到85.1%,产品纯度达到98.6%; Li的回收率达到95.0%,产品纯度达到99.3%。由回收材料重新合成的三元正极组装的软包电池的首圈放电比容量达到了175 mAh·g^-1,可以以超过99.5%的库仑效率稳定循环50圈。     

A sensitive DNA biosensor based on the distance dependent quenching of Silica@Ru(bpy)32+-chitosan-GO electrochemiluminescence by Ferrocene@Gold nanoparticles

A sensitive electrochemiluminescence (ECL) biosensor for the specific DNA sequence of hepatitis C virus (HCV) was developed based on the efficient quenching effect of the ferrocene cluster functionalized gold nanoparticles (Fc@AuNPs) on the ECL of electrodeposited silica@Ru(bpy)₃²⁺-chitosan-graphene oxide nanocomposite (SiO₂@Ru−CS−GO). Graphene oxide (GO) can accelerate electron transfer rate, thus improving the ECL of Ru(bpy)₃²⁺ on electrode surface. The molecular beacons (MB) was fixed to SiO₂@Ru−CS−GO by glutaraldehyde (GA) using the Schiff reaction between amino groups of chitosan (CS) and MB. The ECL of SiO₂@Ru−CS−GO was depressed greatly by the Fc@AuNPs labelled at the end of MB, then, a stronger ECL was observed when the distance between Fc@AuNPs and SiO₂@Ru−CS−GO increased after the hybridization of target DNA with MB. Under optimum conditions, the restored ECL intensity increased linearly with the target DNA concentration in the range of 1.0×10⁻¹⁶∼1.0×10⁻¹⁰ mol ⋅ L⁻¹, and the limit of detection (LOD) is 1.4×10⁻¹⁷ mol ⋅ L⁻¹. The proposed method exhibits acceptable stability and reproducibility. In general, the constructed HCV biosensor can be used for the sensitive detection of HCV in human serum, suggesting potential application prospects in bioanalysis.     

An Electrochemical Sensor Fabricated by Sonochemical Approach for Determination of the Antipsychotic Drug Haloperidol

A nanocomposite (Ho₂O₃NPs/BNT) was synthesized by decorating holmium(III)oxide nanoparticles (H₂O₃NPs) on bentonite (BNT) through a realizable sonochemical approach for the electrochemical detection of haloperidol (Hlp). A glassy carbon electrode was modified with this nanocomposite. The Ho₂O₃NPs/BNT modified electrode outperformed bare and other modified electrodes in terms of electrochemical performance for Hlp detection in a pH 8.0 phosphate buffer. The proposed electrochemical platform showed a wide linear range (0.01 μM–24 μM), low detection limit (2.4 nM), and high sensitivity by square wave voltammetry. In addition, the proposed electrochemical sensor met the clinical criteria in terms of stability, selectivity, and repeatability.     

Highly Sensitive Enzyme-free Sensor Based on a Carbon Paste Electrode Modified with Binary Zinc Oxide/Polyaniline Nanocomposites for Dopamine,Ascorbic Acid and Uric Acid Sensing

Hybrid composites ZnO/PANI were facily synthesized by a sonication process at room temperature. This procedure is non-expensive, time/energy saving and environmentally safe. The as-prepared ZnO/PANI were characterized by FTIR, UV-vis spectroscopies and SEM in order to investigate the structure and morphology of the studied composites. The samples were used to modify carbon paste electrode (CPE) in order to develop electrochemical biosensors (ZnO/PANI/CPE). The sensing properties of the nanoparticles were evaluated for dopamine, ascorbic acid and uric acid non-enzymatic detection. The effect of percentage of polyaniline in the composites and the effect of calcination on the biosensor's response were also examined in the present study. It was revealed that the existence of PANI in ZnO/PANI/CPE largely enhanced the electroactive surface area and therefore the sensitivity for electrochemical sensing. A good electrochemical behavior was noted for ZnO/40 wt% PANI-cal/CPE modified electrode toward DA, AA and UA oxidation. The electroactive surface area of the previously mentioned modified electrode (0.235 cm²) was two times higher than that of the bare electrode (0.117 cm²). The liner relationships between current intensities and concentrations were found to be 0.01–1.4 mM, 0.1–1.3 mM and 0.01–0.12 mM, with detection limit of 0.029 mM, 0.063 mM and 0.007 mM, for DA, AA and UA respectively. In the mixtures of ascorbic acid (AA), dopamine (DA) uric acid (UA) and glucose (Glu) the sensor showed high selectivity of DA with low interference of ascorbic acid by a current change of 14 %. The as-prepared ZnO/PANI/CPE biosensor displayed a good reproducibility and stability.