Synthesis and evaluation of the anticancer activity of the water-dispersible complexes of 4-acylaminoisoxazole derivative with biocompatible nanocontainers based on Ca2+ (Mg2+) cross-linked alginate

Water-dispersible complexes of 4-methyl-N-[5-methyl-3-(3,4,5-trimethoxyphenyl)isoxazol-4-yl]benzamide possessing anticancer activity were prepared by its immobilization with biocompatible polymer nanocontainers based on sodium alginate cross-linked with Ca²⁺ and Mg²⁺ ions. It was found that this isoxazole derivative retains its structure during immobilization. Colloidal stable nanocontainers filled with this compound exhibit toxicity toward the colon carcinoma (HCT116) tumor cell line.     

An asymmetric N-rim partially substituted calix[4]pyrrole: Its affinity for Ag(I) and its destruction by Hg(II)

A new partially substituted calix[4] pyrrole derivative obtained by the introduction of three thioamide functionalities in the N-rim has been synthesised and fully characterised by ¹H, ¹³C, HSQC, ROESY NMR and mass spectroscopy. Computer modelling suggested an alternate conformation which was confirmed through ROESY ¹H NMR. The receptor interacts only with the silver cation as shown by ¹H NMR. The strength of interaction is quantitatively assessed by titration calorimetry. N-rim modification eliminates the possibility of interaction with anions. Unlike calix[4] pyrrole derivatives obtained by the introduction of functionalities through the meso-position, addition of Hg(NO₃)₂ leads to the degeneration of the receptor as demonstrated by ¹H NMR, FTIR and XPS analyses. This is for the first time reported. Molecular simulation studies show significant strain in the mercury bound ligand in bonds, angles, torsions leading to the destruction of the receptor. Given the negative environmental impact produced by the availability of silver ions in aquatic organisms, the fundamental studies indicate that this receptor offers potential applications for monitoring silver (ion selective electrode) or indeed as a decontaminating material for removing silver ions from water.     

不同晶体结构Gd2(MoO4)3:Eu3+荧光粉的合成及其发光性能研究

采用溶胶凝胶-燃烧法,柠檬酸为络合剂合成出系列Gd₂(MoO₄)₃:Eu³⁺荧光粉.利用X射线衍射(XRD)、扫描电子显微镜(SEM)和荧光光谱对样品的结构、形貌和发光性能进行了研究.XRD分析表明:稀土离子与柠檬酸为1:0.5时,800℃热处理获得单斜结构的Gd₂(MoO₄)₃:Eu³⁺荧光粉.单斜结构的Gd₂(MoO₄)₃:Eu³⁺荧光粉到正交结构的Gd₂(MoO₄)₃:Eu³⁺荧光粉的转换可以通过改变稀土离子与柠檬酸摩尔比和热处理温度等合成条件实现.Gd₂(MoO₄)₃:Eu³⁺荧光粉的形貌受合成条件的影响.荧光光谱研究表明:Gd₂(MoO₄)₃:Eu³⁺荧光粉的主发射峰位于616 nm处来自于Eu³⁺的⁵D₀→⁷F₂电偶极跃迁.正交结构的Gd₂(MoO₄)₃:Eu³⁺荧光粉发射强度明显高于单斜结构的荧光粉.计算⁵D₀→⁷F₂与⁵D₀→⁷F₁跃迁发射的相对强度比值表明:正交结构的Gd₂(MoO₄)₃:Eu³⁺中Eu³⁺局域环境的对称性较高。     

Three-dimensional mixed convection flow with variable thermal conductivity and frictional heating

In this article,three-dimensional mixed convection flow over an exponentially stretching sheet is investigated.Energy equation is modelled in the presence of viscous dissipation and variable thermal conductivity.Temperature of the sheet is varying exponentially and is chosen in a form that facilitates the similarity transformations to obtain self-similar equations.Resulting nonlinear ordinary differential equations are solved numerically employing the Runge-Kutta shooting method.In order to check the accuracy of the method,these equations are also solved using bvp4c built-in routine in Matlab.Both solutions are in excellent agreement.The effects of physical parameters on the dimensionless velocity field and temperature are demonstrated through various graphs.The novelty of this analysis is the self-similar solution of the threedimensional boundary layer flow in the presence of mixed convection,viscous dissipation and variable thermal conductivity.     

Absorption enhancement of ultrathin crystalline silicon solar cells with frequency upconversion nanosphere arrays

A design of ultrathin crystalline silicon solar cells patterned with α-NaEr_(0.2)Y_(0.8)F_4 upconversion nanosphere(NSs) arrays on the surface was proposed. The light trapping performance ofα-NaEr_(0.2)Y_(0.8)F_4 NSs with different ratios of sphere diameter to sphere pitch was systematically studied by COMSOL Multiphysics. The influence of different NS diameters and ratio to the average optical absorption of ultrathin crystalline silicon solar cell was calculated, as well as the short circuit current densities. The results show that the average optical absorption of solar cells with 2.33 μm silicon covered by α-NaEr_(0.2)Y_(0.8)F_4 NSs of 100 nm in diameter and 5.2 in ratio has improved by 8.5% compared to planar silicon solar cells with the same thickness of silicon. The light trapping performance of different thicknesses of silicon solar cells with the optimized configuration of NSs was also discussed. The results indicate that our structure enhances the light absorption. The presented model will be the basis for further simulations concerning frequency upconversion of α-NaEr_(0.2)Y_(0.8)F_4 materials.     

Nanostructured BiVO4 Derived from Bi-MOF for Enhanced Visible-light Photodegradation

BiVO4,a promising visible-light responding photocatalyst,has aroused extensive research interest because of inexpensiveness and excellent chemical stability.However,its main drawback is the poor photoinduced charge-transfer dynamics.Building nanostructures is an effective way to tackle this problem.Herein,we put forward a new method to prepare nanostructured BiVO4 from Bi-based metal-organic frameworks[Bi-MOF(CAU-17)]precursor.The as-prepared material has a rod-like morphology inherited from the Bi-MOF sacrificial template and consists of small nanoparticle as building blocks.Compared with its counterparts prepared by conventional methods,MOF-derived nanostructured BiVO4 shows better light absorption ability,narrower bandgap,and improved electrical conductivity as well as reduced recombination.Consequently,BiVO4 nanostructure demonstrates high photocatalytic activity under visible light towards the degradation of methylene blue.Methylene blue can be degraded up to 90%within 30 min with a reaction rate constant of 0.058 min-1.Moreover,the cycling stability of the catalyst is excellent to withstand unchanged degradation efficiency for at least 5 cycles.     

Ultrasonically assisted synthesis of barium stannate incorporated graphitic carbon nitride nanocomposite and its analytical performance in electrochemical sensing of 4-nitrophenol

We describe the ultrasonic assisted preparation of barium stannate-graphitic carbon nitride nanocomposite (BSO-gCN) by a simple method and its application in electrochemical detection of 4-nitrophenol via electro-oxidation. A bath type ultrasonic cleaner with ultrasonic power and ultrasonic frequency of 100 W and 50 Hz, respectively, was used for the synthesis of BSO-gCN nanocomposite material. The prepared BSO-gCN nanocomposite was characterized by employing several spectroscopic and microscopic techniques such as X-ray diffraction, X-ray photoelectron spectroscopy, fourier transform infra-red, field emission scanning electron microscopy, and high resolution transmission electron microscopy, to unravel the structural and electronic features of the prepared nanocomposite. The BSO-gCN was drop-casted on a pre-treated glassy carbon electrode (GCE), and their sensor electrode was utilized for electrochemical sensing of 4-nitrophenol (4-NP). The BSO-gCN modified GCE exhibited better electrochemical sensing behavior than the bare GCE and other investigated electrodes. The electroanalytical parameters such as charge transfer coefficient (α = 0.5), the rate constant for electron transfer (k_s = 1.16 s⁻¹) and number of electron transferred were calculated. Linear sweep voltammetry (LSV) exhibited increase in peak current linearly with 4-NP concentration in the range between 1.6 and 50 μM. The lowest detection limit (LoD) was calculated to be 1 μM and sensitivity of 0.81 μA μM⁻¹ cm⁻²_. A 100-fold excess of various ions, such as Ca²⁺, Na⁺, K⁺, Cl⁻, I⁻, CO₃²⁻, NO₃, NH₄⁺ and SO₄²⁻ did not able to interfere with the determination of 4-NP and high sensitivity for detecting 4-NP in real samples was achieved. This newly developed BSO-gCN could be a potential candidate for electrochemical sensor applications.     

Mn2+、N2-共掺杂Zn2GeO4晶体电子结构和光学性质的研究

采用基于密度泛函理论的平面波超软赝势方法对本征Zn2GeO4，Mn2+掺杂Zn2GeO4，Mn2+/N2-共掺杂Zn2GeO4超晶胞进行了几何结构优化，计算了掺杂前后体系的晶格常数、能带结构、态密度和光学性质。结果表明，Mn离子掺入后，Mn离子3d轨道与O离子2p轨道之间有强烈的轨道杂化效应，掺杂系统不稳定，而Mn/N离子共掺后，Mn离子和N离子之间的吸引作用克服了Mn离子之间的排斥作用，能够明显地提高掺杂浓度和体系的稳定性。光学性质计算结果表明，Mn离子与N离子共掺杂能改善Zn2GeO4电子在低能区的光学跃迁特性，增强电子在可见光区的光学跃迁；吸收谱计算结果显示，Mn离子与N离子掺入后体系对低频电磁波吸收增加。     

Magnetite nanoparticles−based hydroxyl radical scavenging activity assay of antioxidants using N,N-dimethyl-p-phenylenediamine probe

Excessive amounts of reactive oxygen species (ROS), unless counterbalanced by antioxidants, can cause cellular damage under oxidative stress conditions; therefore, antioxidative defenses against ROS must be measured. With the development of nanotechnology, nanoparticles have found numerous applications in science, health, and industries. Magnetite nanoparticles (Fe ₃ O ₄ :MNPs) have attracted attention because of their peroxidase-like activity. In this study, hydroxyl radicals (•OH) generated by MNPs-catalyzed degradation of H ₂ O ₂ converted the N,N-dimethyl-p-phenylenediamine (DMPD) probe into its colored DMPD•+ radical cation, which gave an absorbance maximum at λ = 553 nm. In the presence of antioxidants, •OH was partly scavenged by antioxidants and produced less DMPD• ⁺ , causing a decrease in the 553 nm-absorbance. Antioxidant concentrations were calculated with the aid of absorbance differences between the reference and sample solutions. The linear working ranges and trolox equivalent antioxidant capacity coefficients of different classes of antioxidants were determined by applying the developed method. In addition, binary and ternary mixtures of antioxidants were tested to observe the additivity of absorbances of mixture constituents. The method was applied to real samples such as orange juice and green tea. Student t-test, F tests, and the Spearman’s rank correlation coefficient were used for statistical comparisons.