Extraction mechanism of phenolic compounds by a choline chloride/glycerol solvent: DFT and molecular dynamics studies.

The mechanism of a solvent consisting of choline chloride and glycerol (ChCl/GLY) for extracting phenolic compounds from coal tar was theoretically studied using density functional theory calculations and molecular dynamics simulations. The thermodynamic properties, interaction essence, and molecular dynamics properties of the extraction system were investigated, as well as the influence of ChCl/GLY on the vibration spectra of phenolic compounds. The results show that the solvation free energy of phenolic compounds in ChCl/GLY is more negative than that in coal tar, leading to the spontaneous transfer of phenolic compounds from coal tar to ChCl/GLY.

Impact of open hepatectomy on postoperative bile leakage in patients with biliary tract cancer.

Background: Bile leakage is a common and serious complication of open hepatectomy for the treatment of biliary tract cancer.

Aim: To evaluate the incidence, risk factors, and management of bile leakage after open hepatectomy in patients with biliary tract cancer.

Methods: We retrospectively analyzed 120 patients who underwent open hepatectomy for biliary tract cancer from February 2018 to February 2023.

Release of dissolved organic matter from wetland plants and its interaction with polycyclic aromatic hydrocarbons.

Dissolved organic matter (DOM) derived from wetland plants played a critical role in CWs pollutant migration. This study investigated the character and release pattern of DOM derived from two wetland plants, Phragmites australis and Cladophora sp., and the interaction between DOM with phenanthrene (PHE), benzo(a)pyrene (Bap), and benzo [k]fluoranthene (BkF) under different physical conditions were also studied using spectroscopic techniques.

Effects of dexmedetomidine on oxidative stress, programmed cell death, liver function, and expression of peripheral immune cells in patients with primary liver cancer undergoing hepatectomy.

Primary liver cancer is a severe health issue that imposes a significant health burden on families. Oxidation and subsequent cell death impair liver function and provoke an immune response. The present article investigates the effect of Dexmedetomidine on oxidation, cell death, the expression of peripheral immune cells, and liver function.

E-Commerce Picture Text Recognition Information System Based on Deep Learning.

For the accuracy requirements of commodity image detection and classification, the FPN network is improved by DPFM ablation and RFM, so as to improve the detection accuracy of commodities by the network. At the same time, in view of the narrowing of channels in the application of traditional MWI-DenseNet network, a new GTNet network is proposed to improve the classification accuracy of commodities.The results show that at different levels of evaluation indexes, the dpFPN-Netv2 algorithm improved by DPFM + RFM fusion has higher target detection accuracy than RetinaNet-50 algorithm and other algorithms.

Overcoming Limitations in the Strong Interaction between Pt and Irreducible SiO Enables Efficient and Selective Hydrogenation of Anthracene.

Interactions between metals and oxide supports are crucial in determining catalytic activity, selectivity, and stability. For reducible oxide supported noble metals, a strong metal-support interaction (SMSI) has been widely recognized. Herein we report the intermediate selectivity and stability over an irreducible SiO supported Pt catalyst in the hydrogenation of anthracene that are significantly boosted due to the SMSI-induced formation of intermetallic Pt silicide and Pt-SiO interface.

Intermetallic PdZn nanoparticles catalyze the continuous-flow hydrogenation of alkynols to cis-enols.

Designing highly active and stable lead-free palladium-based catalysts without introducing surfactants and stabilizers is vital for large-scale and high-efficiency manufacturing of cis-enols via continuous-flow semi-hydrogenation of alkynols. Herein, we report an intermetallic PdZn/ZnO catalyst, designed by using the coupling strategy of strong electrostatic adsorption and reactive metal-support interaction, which can be used as a credible alternative to the commercial PdAg/AlO and Lindlar catalysts. Intermetallic PdZn nanoparticles with electron-poor active sites on a Pd/ZnO catalyst significantly boost the thermodynamic selectivity with respect to the mechanistic selectivity and therefore enhance the selectivity towards cis-enols.

Synthesis of Ni/NiAlO Catalysts for Hydrogenation Saturation of Phenanthrene.

The saturation of octahydrophenanthrene was the rate-determining step in the hydrogenation process from phenanthrene to perhydrophenanthrene, which was due to the steric hindrance and competitive adsorption of octahydrophenanthrene. In this work, a series of Ni/NiAlO catalysts with a uniform electron-deficient state of Ni derived from the nickel aluminate structure was synthesized to overcome the disadvantage of noble catalyst and the traditional sulfided catalysts in the saturation hydrogenation process of phenanthrene. Results showed that the catalyst calcinated at 650°C possessed more Ni (∼98%) occupying octahedral sites and exhibited the highest r (1.

Anchored atomic tungsten on a B cage: a highly active and selective single-atom catalyst for nitrogen reduction.

In comparison with the prevalent 2D material-supported single atom catalysts (SACs), the design and fabrication of SACs with single molecule substrates are still challenging. Here we introduce a new type of SAC in which a recently identified all-boron fullerene B40 is employed as the support and its catalytic performance toward the nitrogen reduction reaction (NRR) process is explored in theory. Taking advantage of the novel heptagonal ring substructure on the sphere and the electron-deficient nature of boron, the atomic metals are facile to reside on B40 to form atomically dispersed η7-B40M exohedral complexes.

SIRT3 deficiency increases mitochondrial oxidative stress and promotes migration of retinal pigment epithelial cells.

Retinal pigment epithelial cells are closely associated with the pathogenesis of diabetic retinopathy. The mechanism by which diabetes impacts retinal pigment epithelial cell function is of significant interest. Sirtuins are an important class of proteins that primarily possess nicotinamide adenine dinucleotide-dependent deacetylases activity and involved in various cellular physiological and pathological processes.

Naphthalene Hydrogenation Saturation over NiP/AlO Catalysts Synthesized by Thermal Decomposition of Hypophosphite.

A series of NiP/AlO catalysts with different NiP loadings were synthesized via thermal decomposition of hypophosphite and employed for naphthalene hydrogenation saturation. Results showed that NiP loading greatly affected NiP particle size and the number of active sites of the as-synthesized catalysts, which was derived from the variable interaction between POx and AlO. When the hydrogenation saturation reaction was performed at 300 °C, 4 MPa, a H/oil volume ratio of 600, and a liquid hourly space velocity (LHSV) of 3 h, 98% naphthalene conversion and 98% selectivity to decalin were achieved over NiP/AlO catalysts with 10 wt % NiP.

Desulfurization on Boron Nitride and Boron Nitride-based Materials.

Combustion of liquid fuels containing sulfur compounds is highly unfavorable due to the adverse effects caused by the resultant SO emission. Consequently, catalytic and adsorptive materials having the capacity to eliminate the sulfur compounds from liquid fuels are very attractive. Hexagonal boron nitride (BN), with its interesting chemical and physical properties, finds applications in diverse fields, especially in energy and environmental applications.

Novel nucleic acid detection strategies based on CRISPR-Cas systems: From construction to application.

Beyond their widespread application as genome-editing and regulatory tools, clustered regularly interspaced short palindromic repeats (CRISPR)-CRISPR-associated (Cas) systems also play a critical role in nucleic acid detection due to their high sensitivity and specificity. Recently developed Cas family effectors have opened the door to the development of new strategies for detecting different types of nucleic acids for a variety of purposes. Precise and efficient nucleic acid detection using CRISPR-Cas systems has the potential to advance both basic and applied biological research.

Functionalized Silicas for Metal-Free and Metal-Based Catalytic Applications: A Review in Perspective of Green Chemistry.

Heterogeneous catalysis plays a key role in promoting green chemistry through many routes. The functionalizable reactive silanols highlight silica as a beguiling support for the preparation of heterogeneous catalysts. Metal active sites anchored on functionalized silica (FS) usually demonstrate the better dispersion and stability due to their firm chemical interaction with FSs.

A Water-Stable Uranyl Organic Framework as a Highly Selective and Sensitive Bifunctional Luminescent Probe for Fe and Tetracycline Hydrochloride.

A new coordination polymer (H bpy) ⋅[(UO ) (ipa) (H O)] (1) (H ipa=isophthalic acid, bpy=4,4'-bipyridine) was synthesized by hydrothermal condition. It was characterized by IR spectroscopy, elemental analysis, TG-DTA analysis, and powder X-ray diffraction. Analysis of single-crystal X-ray diffraction results showed that the title compound exhibited a double chain bridged by the different uranyl ions and ipa ligands.

Quorum-sensing based small RNA regulation for dynamic and tuneable gene expression.

Objectives: Developing a dynamic regulation strategy is an essential step in establishing an automatic control system for manipulating metabolic fluxes and cellular behaviors. To broaden the extent of the application, a system that can generally control any gene of interest is demanded.

Results: Through characterization and optimization, the strategy repressed the immediate expression incrementally from 0 to 90% during culturing.

Molecular Dynamics Simulation Reveals Unique Interplays Between a Tarantula Toxin and Lipid Membranes.

Tarantula toxins compose an important class of spider toxins that target ion channels, and some are known to interact with lipid membranes. In this study, we focus on a tarantula toxin, Jingzhaotoxin-III (JZTx-III) that specifically targets the cardiac voltage-gated sodium channel Na[Formula: see text]1.5 and is suspected to be able to interact with lipid membranes.

Mega primer-mediated molecular cloning strategy for chimaeragenesis and long DNA fragment insertion.

Molecular cloning methods based on primer and overlap-extension PCR are widely used due to their simplicity, reliability, low cost and high efficiency. In this article, an efficient mega primer-mediated (MP) cloning strategy for chimaeragenesis and long DNA fragment insertion is presented. MP cloning is a seamless, restriction/ligation-independent method that requires only three steps: (i) the first PCR for mega primer generation; (ii) the second PCR for exponential amplification mediated by the mega primers and (iii) DpnI digestion and transformation.

[A Quick Quantitative Analysis for Group Composition of Coal Liquefaction Oil by Ultraviolet Spectroscopy].

Gas chromatography is now the primary analysis method for the coal liquefaction oil. However, a simple and rapid quantification/qualification of the coal liquefaction oil can hardly be realized, because the coal liquefaction oil is in a heterogeneous state with a long boiling range. The aim of this study was to establish a rapid and accurate method for the quantification of phenolic compounds, aromatics and aliphatic hydrocarbons in coal liquefaction oil.

[Screening of a Highly Efficient Quinoline-degrading Strain and Its Enhanced Biotreatment on Coking Waste Water].

A bacterial strain, which could utilize quinoline as the sole carbon, nitrogen and energy source, was isolated from the activated sludge in a coking wastewater treatment plant. According to the 16S rRNA gene sequence analysis, the strain was identified as Acidovorax sp. Taken into consideration of both the growth and the quinoline degradation of the strain, the optimized degradation conditions were acquired as following: 10% inoculum, pH value of 8.

An efficient strategy for heterologous expression and purification of active peptide hainantoxin-IV.

Hainantoxin-IV (HNTX-IV) from the venom of the spider Selenocosmia hainana is a potent antagonist that specifically inhibits the tetrodotoxin-sensitive (TTX-S) sodium channels. The toxin peptide consists of 35 amino acids and adopts a typical inhibitory cystine knot (ICK) motif. To obtain adequate HNTX-IV peptides for further insight into the structure-activity relationships of the toxin, a novel strategy including cloning, expression and purification was developed in an E.

Screening for voltage-gated sodium channel interacting peptides.

The voltage-gated sodium channel (VGSC) interacting peptide is of special interest for both basic research and pharmaceutical purposes. In this study, we established a yeast-two-hybrid based strategy to detect the interaction(s) between neurotoxic peptide and the extracellular region of VGSC. Using a previously reported neurotoxin JZTX-III as a model molecule, we demonstrated that the interactions between JZTX-III and the extracellular regions of its target hNav1.

Effect of mode of delivery on perceived risks of maternal health outcomes among expectant parents: a cohort study in Beijing, China.

Background: Misperceptions regarding maternal health outcomes after vaginal delivery (VD) and cesarean delivery (CD) may contribute to the increasing trend towards CD. The effects of mode of delivery on parents' perceived risks of health outcomes are unclear. This study aimed to compare the perceived risks of maternal health outcomes among pregnant women and their partners before and after delivery, and to evaluate factors related to inaccurate perceptions among women after delivery.

[Wastewater pollution characteristics from typical intensive pig farms in the Pearl River Delta and its ecological risk assessment].

Based on the wastewater quality investigation data from March 2009 to November 2011, wastewater qualities from typical intensive pig farms were assessed in the Pearl River Delta by single and comprehensive pollution index model. The results showed that key pollutants of piggery wastewater were fecal coliform (FC), total phosphorus (TP), chemical oxygen demand (COD) and biochemical oxygen demand (BOD), with their average mass concentrations of 1.98 x 10(9) CFU.