Ir(III) and Ru(II) Complexes in Photoredox Catalysis and Photodynamic Therapy: A New Paradigm towards Anticancer Applications

Individually, photoredox catalysis (PC) and photodynamic therapy (PDT) are well-established concepts that have experienced a remarkable resurgence in recent years, leading to significant progress in organic synthesis for PC and clinical approval of anticancer drugs for PDT. But, very recently, new photoredox catalyst systems based on Ir(III) and Ru(II) complexes have garnered significant interest because they can simultaneously be used as PDT agents apart from their demonstrated PC activity. This highlight discusses the unique PC behavior of emerging Ir(III)- and Ru(II)-based systems while also examining their potential PDT activity in cancer treatment.     

Theoretical estimation of dielectric loss of oxide glasses using nonequilibrium molecular dynamics simulations

To theoretically explore amorphous materials with a sufficiently low dielectric loss, which are essential for next-generation communication devices, the applicability of a nonequilibrium molecular dynamics simulation employing an external alternating electric field was examined using alkaline silicate glass models. In this method, the dielectric loss is directly evaluated as the phase shift of the dipole moment from the applied electric field. This method enabled us to evaluate the dielectric loss in a wide frequency range from 1 GHz to 10 THz. It was observed that the dielectric loss reaches its maximum at a few THz. The simulation method was found to qualitatively reproduce the effects of alkaline content and alkaline type on the dielectric loss. Furthermore, it reasonably reproduced the effect of mixed alkalines on the dielectric loss, which was observed in our experiments on sodium and/or potassium silicate glasses. Alkaline mixing was thus found to reduce the dielectric loss.     

Preparation of Pt/Ce–Zr–Y mixed oxide/anodized aluminium oxide catalysts for hydrogen passive autocatalytic recombination

The use of a Pt-based catalyst was evaluated for autocatalytic hydrogen recombination. The Pt was supported on a mixture of Ce-, Zr- and Y-oxides (CZY) to yield nanosized Pt particles. The Pt/CZY/AAO catalyst was then prepared by the spray-deposition of the Pt/CZY intermediate onto an anodized aluminium oxide (AAO) layer on a metallic aluminum core. The Pt/CZY/AAO catalyst (3 × 1 cm) was evaluated for hydrogen combustion (1–8 vol% hydrogen in the air) in a recombiner section testing station. The thermal distribution throughout the catalyst surface was investigated using an infrared camera. The maximum temperature gradient (ΔT) for the examined hydrogen concentrations did not exceed 36 °C. The Pt/CZY/AAO catalyst was also evaluated for prolonged hydrogen combustion duration to assess its durability. An average combustion temperature of 239.0 ± 10.0 °C was maintained for 53 days of catalytic hydrogen combustion, suggesting that there was limited, or no, catalyst deactivation. Finally, a Pt/CZY/AAO catalytic plate (14.0 × 4.5 cm) was prepared to investigate the thermal distribution. An average surface temperature of 212.5 °C and a maximum ΔT of 5.4 °C was obtained throughout the catalyst surface at a 3 vol% hydrogen concentration.     

Photoregulation of Gene Expression with Ligand-Modified Caged siRNAs through Host/Guest Interaction

Small interfering RNA (siRNA) can effectively silence target genes through Argonate 2 (Ago2)-induced RNA interference (RNAi). It is very important to control siRNA activity in both spatial and temporal modes. Among different masking strategies, photocaging can be used to regulate gene expression through light irradiation with spatiotemporal and dose-dependent resolution. Many different caging strategies and caging groups have been reported for light-activated siRNA gene silencing. Herein, we describe a novel caging strategy that increases the blocking effect of RISC complex formation/process through host/guest (including ligand/receptor) interactions, thereby enhancing the inhibition of caged siRNA activity until light activation. This strategy can be used as a general approach to design caged siRNAs for the photomodulation of gene silencing of exogenous and endogenous genes.     

The Antibacterial Drug Candidate SBC3 is a Potent Inhibitor of Bacterial Thioredoxin Reductase

Antibiotic resistance is a growing problem for public health and associated with increasing economic costs and mortality rates. Silver and silver-related compounds have been used for centuries due to their antimicrobial properties. In this work, we show that 1,3-dibenzyl-4,5-diphenyl-imidazol-2-ylidene silver(I) acetate/NHC*-Ag-OAc (SBC3) is a reversible, high affinity inhibitor of E. coli thioredoxin reductase (TrxR; K_i=10.8±1.2 nM). Minimal inhibition concentration (MIC) tests with different E. coli and P. aeruginosa strains demonstrated that SBC3 can efficiently inhibit bacterial cell growth, especially in combination with established antibiotics like gentamicin. Our results show that SBC3 is a promising antibiotic drug candidate targeting bacterial TrxR.     

硫磷混合酸溶样重铬酸钾容量法测定全铁

介绍了硫磷混合酸溶样重铬酸钾容量法测定矿石中铁含量的方法和步骤。重点讨论了一线生产中的质量控制。     

Evolutionary collective behavior decomposition model for time series data mining

In this research, we propose a novel framework referred to as collective game behavior decomposition where complex collective behavior is assumed to be generated by aggregation of several groups of agents following different strategies and complexity emerges from collaboration and competition of individuals. The strategy of an agent is modeled by certain simple game theory models with limited information. Genetic algorithms are used to obtain the optimal collective behavior decomposition based on history data. The trained model can be used for collective behavior prediction. For modeling individual behavior, two simple games, the minority game and mixed game are investigated in experiments on the real-world stock prices and foreign-exchange rate. Experimental results are presented to show the effectiveness of the new proposed model.     

Synthesis and Characterization of Co Nanocomposite Based on Poly(benzimidazole-amide) Matrix and Their Behavior as Catalyst in Oxidation Reaction

2,6-Bis(5-amino-1H-benzimidazol-2-yl)pyridine was prepared and characterized by Fourier transform infrared spectroscopy, elemental analysis, ¹H-NMR, and ¹³C-NMR spectroscopic methods. Then a new poly(benzimidazole-amide) was synthesized by polymerization of the corresponding diamine and isophthalic acid. The obtained poly(benzimidazole-amide) exhibited good yield and high thermal stability. Due to the existence of benzimidazole moieties in polymer’s structure, it has the tendency to form complexes with metal ions. So, a new poly(benzimidazole-amide)/Co nanocomposite was prepared. Morphological studies revealed that metal nanoparticles were dispersed in the polymer matrix without any aggregation. poly(benzimidazole-amide)/Co nanocomposite was used as a catalyst in the oxidation of ethyl benzene to acetophenone with tert-butyl hydroperoxide.     

A case-deletion diagnostic for penalized calibration estimators and BLUP under linear mixed models in survey sampling

The penalized calibration technique in survey sampling combines usual calibration and soft calibration by introducing a penalty term. Certain relevant estimates in survey sampling can be considered as penalized calibration estimates obtained as particular cases from an optimization problem with a common basic structure. In this framework, a case deletion diagnostic is proposed for a class of penalized calibration estimators including both design-based and model-based estimators. The diagnostic compares finite population parameter estimates and can be calculated from quantities related to the full data set. The resulting diagnostic is a function of the residual and leverage, as other diagnostics in regression models, and of the calibration weight, a singular feature in survey sampling. Moreover, a particular case, which includes the basic unit level model for small area estimation, is considered. Both a real and an artificial example are included to illustrate the diagnostic proposed. The results obtained clearly show that the proposed diagnostic depends on the calibration and soft-calibration variables, on the penalization term, as well as on the parameter to estimate.