Fe substitution in urchin-like NiCoO for energy storage devices.

A composite of NiCo Fe O was designed to investigate the effects of Fe substitution on its energy storage performance. Urchin-like products composed of nanowires were successfully synthesized through the hydrothermal method and calcinations. Scanning electron microscopy (SEM) images revealed that Fe substitution could reduce the diameter of the nanowires and hinder the urchin-like sphere construction.

A comparison of the characteristics of polyurethane-based sealers including various antimicrobial agents.

An obturation biomaterial that possess inherent antibacterial activity has been developed to create a tight seal for the root canal space in treatment. Novel castor oil-based polyurethane sealers composited with different proportions of silver phosphate or zinc oxide nanoparticles were synthesized to investigate the physicochemical properties, antibacterial effect on , and cytotoxicity on murine fibroblasts compared with commercially available products. The results showed that the physical properties of all of the polyurethane sealers could meet with the standards expected.

Enzymatic synthesis of selenium-containing amphiphilic aliphatic polycarbonate as an oxidation-responsive drug delivery vehicle.

Although functional aliphatic polycarbonates (APCs) have attracted prominent research interest as stimuli-responsive biomaterials, the majority of functional APCs are fabricated by detrimental organometallic catalysts or organo-catalysts. Herein, a facile synthetic strategy based on enzymatic polymerization was developed to construct a selenium-containing amphiphilic aliphatic polycarbonate (mPEG--CMP). Specifically, the selenium in its backbone framework underwent a hydrophobic-hydrophilic transition upon exposure to the abnormal ROS level of the tumor, thus providing a promising platform for ROS-triggered drug release.

Modification of 3D printed PCL scaffolds by PVAc and HA to enhance cytocompatibility and osteogenesis.

In the study, a specific material system that contains poly-(ε-caprolactone) (PCL), polyvinyl acetate (PVAc) and hydroxyapatite (HA) was used to fabricate porous scaffolds employing a 3D printing technique for bone regeneration. Four groups of 3D printing scaffolds were fabricated: PCL, PCL/PVAc, PCL/HA and PCL/PVAc/HA for comparision. The morphologies, mechanical properties and biological characteristics of these scaffolds were analyzed using SEM, a material testing machine, cell culture and animal experiments.

Effects of solvents on the DACBO-catalyzed vinylogous Henry reaction of isatin with 3,5-dimethyl-4-nitroisoxazole "on-water" and in solution from QM/MM MC simulations.

The mechanism of the DABCO-catalyzed vinylogous Henry reaction of isatin with 3,5-dimethyl-4-nitroisoxazole and solvent effects on it have been investigated using density functional theory (DFT) methods and QM/MM Monte Carlo (MC) simulation under "on-water" conditions as well as in methanol and THF solutions. The DFT calculations concluded that Path A, in which DABCO directly catalyzes the reaction of isatin 1a with 3,5-dimethyl-4-nitroisoxazole 2 in water, is the most favorable and the first step, the proton transfer process, is the rate-determining step for the reaction. For the roles of solvents in the reaction, QM/MM MC simulations using free energy perturbation theory and PDDG/PM3 as the QM method have been utilized to predict the free energy profiles.

Iridium-Catalyzed Benzylamine C-H Alkenylation Enabled by Pentafluorobenzoyl as the Directing Group.

The first iridium-catalyzed oxidative alkeynylation of benzylamines with acrylates enabled by a new directing group pentafluorobenzoyl has been developed. The reaction proceeded efficiently in the presence of silver acetate as oxidant and chlorobenzene as solvent. A good range of benzylamines could be selectively monoalkenylated without interfering with further aza-Michael addition.

Electrocatalytic Hydrogenation of N to NH by MnO: Experimental and Theoretical Investigations.

NH is a valuable chemical with a wide range of applications, but the conventional Haber-Bosch process for industrial-scale NH production is highly energy-intensive with serious greenhouse gas emission. Electrochemical reduction offers an environmentally benign and sustainable route to convert N to NH at ambient conditions, but its efficiency depends greatly on identifying earth-abundant catalysts with high activity for the N reduction reaction. Here, it is reported that MnO particles act as a highly active catalyst for electrocatalytic hydrogenation of N to NH with excellent selectivity.

Fe/Zn-modified tricalcium phosphate (TCP) biomaterials: preparation and biological properties.

Bone repairing materials play an essential role in the repair treatment of bone defects. The presence of calcium phosphate invertebrates is of significance for bone repairing processes. However, the mechanical properties and osteogenic activities of many current calcium phosphate materials are not ideal, which limit their biological applications.

Thermal annealing assisted synthesis of Sb@C yolk-shell microspheres for sodium-ion batteries.

Sb@C yolk-shell spheres with tunable interior space have been obtained a facile thermal annealing strategy and used as anodes for sodium-ion batteries. The proportion of interior space in the yolk-shell structure has a significant influence on the electrochemical performance of the electrode material.

Rh(III)-Catalyzed [4 + 2] Self-Annulation of N-Vinylarylamides.

An efficient rhodium(III)-catalyzed self-annulation of N-vinylarylamide has been developed. This reaction features a simple system and good reactivity with complete regioselectivity. The protocol provides easy access to an aminal incorporated dihydroisoquinolinone, which proved to be a versatile synthetic synthon.

Multistage rocket: integrational design of a prodrug-based siRNA delivery system with sequential release for enhanced antitumor efficacy.

An integrated peptide-camptothecin prodrug (RSC) system was designed as a nano-sized multistage rocket for the efficient complexation and controlled sequential release of siRNA and anticancer drug under tumor-relevant reductive and esterase-enriched conditions, which facilitated the avoidance of negative interactions and maximized the synergistic effect.

Interaction mechanism of olaparib binding to human serum albumin investigated with NMR relaxation data and computational methods.

The interaction mechanism between olaparib (OLA) and human serum albumin (HSA) has been investigated using experimental and computational techniques. An NMR relaxation approach based on the analysis of proton selective and non-selective spin-lattice relaxation rates at different temperatures can provide quantitative information about the affinity index and the thermodynamic equilibrium constant of the OLA-HSA system. The affinity index and the thermodynamic equilibrium constant decreased as temperature increased, indicating that the interactions between OLA and HSA could be weakened as temperature increased.

Co-delivery of doxorubicin and itraconazole by Pluronic® P123 coated liposomes to enhance the anticancer effect in breast cancers.

To date, the combinational cancer therapy of anticancer and antiangiogenic agents represents a promising strategy to improve antitumor outcomes in clinics. However, combination therapy with drugs having distinct properties, such as solubility, limits the likelihood of simultaneous delivery. In our study, we aimed to develop a codelivery nanoparticulate system of hydrophilic doxorubicin (DOX) and hydrophobic itraconazole (ITZ) using liposomes coated with Pluronic® P123 (ITZ/DOX-PLip).

Raman spectroscopy coupled with principal component analysis to quantitatively analyze four crystallographic phases of explosive CL-20.

The polymorphic quantitative analysis of explosives is very important for national defense and security inspection. However, conventional analytical methods are inaccurate and time-consuming because of the complexity of the polymorphic explosive samples. In this paper, we established a new method of polymorphic quantitative determination in a simple, sensitive, and accurate way.

Compound F779-0434 causes synthetic lethality in BRCA2-deficient cancer cells by disrupting RAD52-ssDNA association.

Maintenance of genomic integrity is essential for the survival of all organisms. Homologous recombination (HR) is the major pathway for high-fidelity repair of DNA double-stranded breaks (DSBs). In addition to the classic BRCA-RAD51 pathway, another secondary HR sub-pathway dependent on RAD52 has been suggested to be functioning in mammalian cells.

Synthesis of manganese-based complex as cathode material for aqueous rechargeable batteries.

A low-cost and eco-friendly system based on a manganese-based complex cathode and zinc anode was demonstrated. The cathode is able to reversibly (de-)insert Zn ions, providing a high capacity of 248 mA h g at 0.1 A g.

A structural dissection of protein-RNA interactions based on different RNA base areas of interfaces.

Protein-RNA interactions are very common cellular processes, but the mechanisms of interactions are not fully understood, mainly due to the complicated RNA structures. By the elaborate investigation on RNA structures of protein-RNA complexes, it was firstly found in this paper that RNAs in these complexes could be clearly classified into three classes (high, medium and low) based on the different levels of (the percentage of base area buried in the RNA interface). In view of the three RNA classes, more detailed analyses on protein-RNA interactions were comprehensively performed from various aspects, including interface area, structure, composition and interaction force, so as to achieve a deeper understanding of the recognition specificity for the three classes of protein-RNA interactions.

Preparation of silica coatings with continuously adjustable refractive indices and wettability properties sol-gel method.

Silica coatings with continuously adjustable refractive indices and wettability properties were prepared through a sol-gel base-catalyzed process. Adjustment of the molar ratio of water (HO) to tetraethylorthosilicate (TEOS) was utilized to change the hydrolysis degree of the precursors, and hence change the morphology of the silica particles. With the increase in the HO/TEOS molar ratio, the morphology of the silica particles changed from a linear net-work structure to a bead-like structure and then to a granular particle structure.

Photoluminescent F-doped carbon dots prepared by ring-opening reaction for gene delivery and cell imaging.

Carbon dots (CDs) are photoluminescent nanoparticles with distinctive properties, having great potential in nano-biomaterial systems such as gene/drug delivery vectors and cell imaging agents. Fluorine-doped CD C-6F was prepared by a one-step ring-opening polymerization-dehydrative carbonization (RPDC) approach based on low molecular weight polyethyleneimine (PEI, 600 Da) and fluorinated diglycidyl ethers, while the non-fluorinated counterpart C-6H and the CD prepared from PEI 600 Da solely (C-600) were also prepared for comparison. TEM, FT-IR and XPS were performed to determine the compositions and surface states of the CDs.

An efficient bifunctional electrocatalyst for water splitting based on cobalt phosphide.

The development of highly efficient electrocatalysts for water splitting is critical for various renewable-energy technologies. In this letter, we demonstrate a cobalt phosphide nanowire array grown on a Ti mesh (CoP/TM) behaving as a bifunctional electrocatalyst for water splitting. The CoP/TM electrode delivers 10 mA cm(-2) at an overpotential of 72 mV for the hydrogen evolution reaction (HER) and 310 mV for the oxygen evolution reaction (OER) in 1.

The Quaternary evolutionary history, potential distribution dynamics, and conservation implications for a Qinghai-Tibet Plateau endemic herbaceous perennial, Anisodus tanguticus (Solanaceae).

Various hypotheses have been proposed about the Quaternary evolutionary history of plant species on the Qinghai-Tibet Plateau (QTP), yet only a handful of studies have considered both population genetics and ecological niche context. In this study, we proposed and compared climate refugia hypotheses based on the phylogeographic pattern of Anisodus tanguticus (three plastid DNA fragments and nuclear internal transcribed spacer regions from 32 populations) and present and past species distribution models (SDMs). We detected six plastid haplotypes in two well-differentiated lineages.

An atypical reproductive cycle in a common viviparous Asia Agamid Phrynocephalus vlangalii.

Viviparous lizards living in cold climate of high altitude often exhibit atypical reproductive cycles, in which mating and fertilization occur synchronously and annually with parturition occurring at the end of the year. Nevertheless, detailed case studies on atypical reproductive cycles are few. Using anatomical data combined with behavioral observations, we examined the reproductive cycle of a common Asian agamid, Phrynocephalus vlangalii, from a high-elevation area in Sichuan, China.

Effects of mixed subchronic lead acetate and cadmium chloride on bone metabolism in rats.

This study aimed to determine the effects of administering a mixture of subchronic lead acetate (Pb (NO3)2) and cadmium chloride (CdCl2·2.5H2O) on the bone metabolism of rats. A control group and three experimental groups consisted of randomly selected rats.

Increased Tbx1 expression may play a role via TGFβ-Smad2/3 signaling pathway in acute kidney injury induced by gentamicin.

T-box 1 (Tbx1) gene is closely involved in embryonic kidney development. To explore the role of Tbx1 in acute kidney injury (AKI) and the underlying mechanism, we detected the expression of Tbx1 and components of transforming growth factor-beta (TGF-β) signaling pathways including TGF-β, phosphorylated Smad2/3 (p-Smad2/3) and phosphorylated Smad1/5/8 (p-Smad1/5/8) in kidney tissues derived from a rat model for AKI induced by gentamicin (GM). Apoptosis of renal cells was assessed by terminal deoxynucleotidyl transferase-mediated dUTP nick end-labeling (TUNEL), along with the expression of two essential genes involved in apoptosis, caspase-3 and Bcl-2.

Understanding E2 versus SN2 Competition under Acidic and Basic Conditions.

Our purpose is to understand the mechanism through which pH affects the competition between base-induced elimination and substitution. To this end, we have quantum chemically investigated the competition between elimination and substitution pathways in H2O+C2H5OH2 (+) and OH(-)+C2H5OH, that is, two related model systems that represent, in a generic manner, the same reaction under acidic and basic conditions, respectively. We find that substitution is favored in the acidic case while elimination prevails under basic conditions.