Highly Efficient Ultrasonic‐Assisted CuCl‐Catalyzed 1,3‐Dipolar Cycloaddition Reactions in Water: Synthesis of Coumarin Derivatives Linked with 1,2,3‐Triazole Moiety

By introducing ultrasound irradiation into “on water” CuCl‐catalyzed 1,3‐dipolar Huisgen cycloaddition, the reaction efficiencies were notably promoted toward a wide variety of applicable azides and alkynes at room temperature, and a series of coumarin derivatives linked with 1,2,3‐triazole moiety were synthesized using the optimized conditions.     

双指数脉冲电流发生器的电路仿真计算

双指数脉冲电流发生器可用于电子系统端口传导耦合实验,主要用于研究电磁敏感器件的电磁脉冲效应的损伤规律。根据实验要求,该发生器能够输出前沿10 ns、脉宽100 ns、电流幅值3 kA的双指数脉冲电流。建立了该发生器的电路模型,并对杂散电容和电感对输出电流波形的影响进行了分析。模拟计算表明,电流信号的过冲现象和后沿叠加干扰信号的原因可能是电阻负载自身存在的杂散电容和测量电流的线圈附近的杂散电容和电感的共同作用导致的。经过理论计算,如果在测量线圈附近添加适当的滤波设备或者用无损同轴电缆引出电流,能够明显地抑制过冲和干扰。     

Practical alternating least squares for tensor ring decomposition

Tensor ring (TR) decomposition has been widely applied as an effective approach in a variety of applications to discover the hidden low-rank patterns in multidimensional and higher-order data. A well-known method for TR decomposition is the alternating least squares (ALS). However, solving the ALS subproblems often suffers from high cost issue, especially for large-scale tensors. In this paper, we provide two strategies to tackle this issue and design three ALS-based algorithms. Specifically, the first strategy is used to simplify the calculation of the coefficient matrices of the normal equations for the ALS subproblems, which takes full advantage of the structure of the coefficient matrices of the subproblems and hence makes the corresponding algorithm perform much better than the regular ALS method in terms of computing time. The second strategy is to stabilize the ALS subproblems by QR factorizations on TR-cores, and hence the corresponding algorithms are more numerically stable compared with our first algorithm. Extensive numerical experiments on synthetic and real data are given to illustrate and confirm the above results. In addition, we also present the complexity analyses of the proposed algorithms.     

Study on the Structure of a Mixed KCl and K2SO4 Aqueous Solution Using a Modified X-ray Scattering Device,Raman Spectroscopy,and Molecular Dynamics Simulation

The microstructure of a mixed KCl and K₂SO₄ aqueous solution was studied using X-ray scattering (XRS), Raman spectroscopy, and molecular dynamics simulation (MD). Reduced structure functions [F(Q)], reduced pair distribution functions [G(r)], Raman spectrum, and pair distribution functions (PDF) were obtained. The XRS results show that the main peak (r = 2.81 Å) of G(r) shifted to the right of the axis (r = 3.15 Å) with increased KCl and decreased K₂SO₄. The main peak was at r = 3.15 Å when the KCl concentration was 26.00% and the K₂SO₄ concentration was 0.00%. It is speculated that this phenomenon was caused by the main interaction changing, from K-O_W (r = 2.80 Å) and O_W-O_W (r = 2.80 Å), to Cl⁻-O_W (r = 3.14 Å) and K⁺-Cl⁻ (r = 3.15 Å). According to the trend of the hydrogen bond structure in the Raman spectrum, when the concentration of KCl was high and K₂SO₄ was low, the destruction of the tetrahedral hydrogen bond network in the solution was more serious. This shows that the destruction strength of the anion to the hydrogen bond network structure in solution was Cl⁻ > SO₄²⁻. In the MD simulations, the coordination number of O_W-O_W decreased with increasing KCl concentration, indicating that the tetrahedral hydrogen bond network was severely disrupted, which confirmed the results of the Raman spectroscopy. The hydration radius and coordination number of SO₄²⁻ in the mixed solution were larger than Cl⁻, thus revealing the reason why the solubility of KCl in water was greater than that of K₂SO₄ at room temperature.     

New perturbation bounds for the subunitary polar factors

In this article, we present some new perturbation bounds for the (subunitary) unitary polar factors of the (generalized) polar decompositions. Two numerical examples are given to show the rationality and superiority of our results, respectively. In terms of the one-to-one correspondence between the weighted case and the non-weighted case, all these bounds can be applied to the weighted polar decomposition.     

Purification of low-abundance lysozyme in egg white via free-flow electrophoresis with gel-filtration chromatography

As an effective separation tool, free-flow electrophoresis has not been used for purification of low-abundance protein in complex sample matrix. Herein, lysozyme in complex egg white matrix was chosen as the model protein for demonstrating the purification of low-content peptide via an FFE coupled with gel fitration chromatography (GFC). The crude lysozyme in egg while was first separated via free-flow zone electrophoresis (FFZE). After that, the fractions with lysozyme activity were condensed via lyophilization. Thereafter, the condensed fractions were further purified via a GFC of Sephadex G50. In all of the experiments, a special poly(acrylamide- co-acrylic acid) (P(AM-co-AA)) gel electrophoresis and a mass spectrometry were used for identification of lysozyme. The conditions of FFZE were optimized as follows: 130 μL/min sample flow rate, 4.9 mL/min background buffer of 20 mM pH 5.5 Tris-Acetic acid, 350 V, and 14 °C as well as 2 mg/mL protein content of crude sample. It was found that the purified lysozyme had the purity of 80% and high activity as compared with its crude sample with only 1.4% content and undetectable activity. The recoveries in the first and second separative steps were 65% and 82%, respectively, and the total recovery was about 53.3%. The reasons of low recovery might be induced by diffusion of lysozyme out off P(AM-co-AA) gel and co-removing of high-abundance egg ovalbumin. All these results indicated FFE could be used as alternative tool for purification of target solute with low abundance.     

Amphiphilic poly(ionic liquid)/Wells–Dawson-type phosphovanadomolybdate ionic composites as efficient and recyclable catalysts for the direct hydroxylation of benzene with H2O2

Three novel amphiphilic poly(ionic liquid) (PIL)/Wells–Dawson-type phosphovanadomolybdate (V-POM) ionic composites with tunable oxidative catalytic activity and unique nanostructure were synthesized using carboxylic acid-functionalized PIL and H₇[P₂Mo₁₇VO₆₂], H₈[P₂Mo₁₆V₂O₆₂] and H₉[P₂Mo₁₅V₃O₆₂] as synthetic units via self-assembly in water. The results of characterization indicated that V-POM anions were finely dispersed in the PIL cation framework, and their structures were well preserved. The three composites are amorphous V-POM salts of PIL cation with a considerable thermal stability, and an open three-dimensional network structure with hierarchical porosity. The as-synthesized composites were found to be efficient heterogeneous catalysts for the direct hydroxylation of benzene to phenol with H₂O₂ in the liquid phase. Under optimum conditions, a phenol yield of 37.3% was achieved with selectivity of 100%. The high catalytic performance could be attributed to the synergistic catalytic effect between V-POM anion and carboxylic acid-functionalized PIL cation framework, and good benzene adsorption and phenol desorption ability of amphiphilic micropores in the structure of the composites. Additionally, these composites exhibited high stability under the reaction conditions and could be easily recovered and reused at least six times without noticeably loss of activity.     

Randomized block Krylov subspace methods for trace and log-determinant estimators

BIT Numerical Mathematics - We present randomized algorithms based on block Krylov subspace methods for estimating the trace and log-determinant of Hermitian positive semi-definite matrices. Using...     

Constructing super D-Kaup-Newell hierarchy and its nonlinear integrable coupling with self-consistent sources

How to construct new super integrable equation hierarchy is an important problem. In this paper, a new Lax pair is proposed and the super D-Kaup-Newell hierarchy is generated, then a nonlinear integrable coupling of the super D-Kaup-Newell hierarchy is constructed. The super Hamiltonian structures of coupling equation hierarchy is derived with the aid of the super variational identity. Finally, the self-consistent sources of super integrable coupling hierarchy is established. It is indicated that this method is a straight- forward and efficient way to construct the super integrable equation hierarchy.     

Preparation and medical application of magnetic beads conjugated with bioactive molecules

Ferrite nanobeads were synthesized from an aqueous solution utilizing Fe²⁺ to Fe³⁺ oxidation for use as magnetic carriers in bioscreening, bio-molecular recognition and anti-cancer diagnosis and therapy. The beads had a crystal structure that was intermediate between Fe₃O₄ and γ-Fe₂O₃. Functional biomolecules were strongly conjugated onto the surfaces of the ferrite beads via COOH and SH groups. The addition of ferrite seed crystals (3-8 nm in size) together with a disaccharide enabled the synthesis of monodisperse, spherical ferrite beads with average diameters (d¯) between 50 and 150 nm and relative deviation Δd/d¯=9-16%. Hollow ferrite nano-spheres (d¯=150-450 nm, Δd/d¯≈10%) were prepared using silica spheres as templates, which were dissolved in NaOH solution. Ferrite beads 40 nm in size were encapsulated in polymer spheres of styrene and polymerized glycidyl methacrylate (poly-GMA), 184±9 nm in diameter. They were used for high throughput bioscreening system for affinity purification of target proteins which make specific bindings to anti-cancer drugs, porphyrins, environment hormones, etc.