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As one of the extensively used feed additives in livestock and poultry breeding, p-arsanilic acid (p-ASA) has become an organoarsenic pollutant with great concern. For the efficient removal of p-ASA from water, the combination of chemical oxidation and adsorption is recognized as a promising process. Herein, hollow/porous Mn-Fe-mixed oxide (MnFeO) nanocubes were synthesized and used in coupling with peroxymonosulfate (PMS) to oxidize p-ASA and remove the total arsenic (As). Under acidic conditions, both p-ASA and total As could be completely removed in the PMS/MnFeO process and the overall performance was substantially better than that of the Mn/Fe monometallic system. More importantly, an interface-promoted direct oxidation mechanism was found in the p-ASA-involved PMS/MnFeO system. Rather than activate PMS to generate reactive oxygen species (i.e., SO4·-, ·OH, and 1O2), the MnFeO nanocubes first adsorbed p-ASA to form a ligand-oxide interface, which improved the oxidation of the adsorbed p-ASA by PMS and ultimately enhanced the removal of the total As. Such a direct oxidation process achieved selective oxidation of p-ASA and avoidance of severe interference from the commonly present constituents in real water samples. After facile elution with dilute alkali solution, the used MnFeO nanocubes exhibited superior recyclability in the repeated p-ASA removal experiments. Therefore, this work provides a promising approach for efficient abatement of phenylarsenical-caused water pollution based on the PMS/MnFeO oxidation process.

Metastasis is the main cause of mortality in patients with cancer. Epithelial–mesenchymal transition (EMT), a crucial process in cancer metastasis, is an established target for antimetastatic drug development. LFG-500, a novel synthetic flavonoid, has been revealed as a potential antitumor agent owing to its various activities, including modulation of EMT in the inflammatory microenvironment. Here, using a transforming growth factor beta (TGF-β)-induced EMT models, we found that LFG-500 inhibited EMT-associated migration and invasion in human breast cancer, MCF-7, and lung adenocarcinoma, A549, cell lines, consistent with the observed downregulation of YAP activity. Further studies demonstrated that LGF-500-induced suppression of YAP activation was mediated by integrin-linked kinase (ILK), suggesting that the ILK/YAP axis might be feasible target for anti-EMT and antimetastatic treatments, which was verified by a correlation analysis with clinical data and tumor specimens. Hence, our data support the use of LGF-500 as an antimetastatic drug in cancer therapy and provide evidence that the ILK/YAP axis is a feasible biomarker of cancer progression and a promising target for repression of EMT and metastasis in cancer therapy.

The conversion of lignocellulosic biomass waste into fuels and chemicals can be regarded as a carbon-neutral circular framework, which is particularly appealing for our sustainable society. In this...

Nonrubber components (NRCs) play an important role in the outstanding mechanical property of natural rubber (NR). The main inositol component of NRCs in natural rubber latex (NRL) is l-quebrachitol. In this study, the influence of l-quebrachitol on the properties of centrifuged natural rubber (CNR) was investigated. The NRL was centrifuged twice to remove most of the NRCs. After that, l-quebrachitol was added in the latex with per hundreds of rubber (phr) vary from 0% to 0.8%, and the vulcanized CNR were prepared. It is shown that the properties of vulcanized CNR were greatly changed, with T 90 reduced from 19 to 15 min, the tensile strength increased from 5 to 9 MPa, T g reduced by about 2°C, and the ability for strain-induced crystallization was enhanced. It was proved by FTIR results that l-quebrachitol was linked to the CNR crosslinking network with ester bond.

To test the effect of Banxia Xiexin Decoction (半夏泻心汤, BXD) on the contraction and relaxation of gastric smooth muscle (SM) in diabetic gastroparesis (DGP) model rats, and to explore the mechanism of BXD in the prevention and treatment of DGP through experiments of signal pathway both in vivo and in vitro. Sixty Sprague-Dawley rats were divided into 6 groups according to a random number table: control group, model group, high-, medium- and low-dose BXD groups (9.2, 4.6 and 1.8 g/(kg·d), respectively), and domperidone group (10 mg/(kg·d)), 10 rats per group. DGP model was established initially by a single intraperitoneal injection of streptozotocin (STZ), and was confirmed by recording gastric emptying, intestinal transport velocity and gastric myoelectric activity of rats after 2 months. Each group was treated with a corresponding drug for 4 weeks. The mRNA and protein expressions of phospholipase C (PLC), inositol triphosphate (IP3), neuronal nitric oxide synthase (nNOS), and cyclic guanosine monophosphate (cGMP) dependent protein kinase G (PKG) were detected by reverse transcription-polymerase chain reaction and Western blot, respectively, while nitric oxide (NO) and cGMP expressions were detected by enzyme-linked immunosorbent assay. Gastric tissues were obtained from rats for primary cell culture preparation. Gastric SM cells were treated with 0.8 µmol/L of STZ or STZ plus 1,000, 500 and 200 µg/mL of BXD or STZ plus 2.5 µmol/mL of domperidone for 24, 48, 72 or 96 h, respectively. The length of gastric SM cells and intracellular Ca2+ concentration ([Ca2+]i) before and after BXD treatment was measured. Compared with the model group, high- and medium-dose BXD and domperidone significantly increased the expressions of PLC, IP3, NO, nNOS, cGMP and PKG in rat’s gastric tissue (P

Carbon-based materials are recognized as promising candidates for pollutant degradation because of their environmental benignity. Massive and cost-effective production and efficient recovery of carbon-based catalysts are crucial to apply this technology. However, various nanostructured carbons with different dimensions are usually utilized as precursors while not considering their complex preparation procedures and the high costs of ingredients. Moreover, catalyst separation and recovery are not given sufficient attention. In this work, a calcium salt-assisted pyrolysis strategy is proposed to tune the catalytic site formation of carbon-based catalysts. Results show that blending equal amounts of Ca

During the past two decades, metal-organic frameworks (MOFs) have received significant interest because these materials possess beautiful structural motifs and unique applications. Light-emitting MOFs sensors are favorable because these materials have large surface area and excellent framework stability, which can differentiate analytical objects for applications toward environmental protection, homeland security and human health. In this work, under the powerful solvo-thermal conditions, a bi-functional ligand with large conjugated biphenyl aromatic backbones has been used to prepare the unique ultra-stable three-dimensional(3D) luminescent zinc(II) coordination compound {[Zn2(μ5-L)(μ3-OH)(H2O)2]·(0.75DMAC)}n (1) (DMAC = Dimethylacetamide). In 1, these penta-coordinated L3− ligands and the bridging ligand μ3-OH link together with these neighboring zinc(II) centers, which ultimately constructs the 3D nano-porous coordination material of 1. 1D rhombic channel with a corresponding edge distance of 12.167(6) A × 10.912(1) A can be found between central metal(II) vertices along the crystallographic b axis. The calculation using the PLATON program shows the total solvent area is 581.7 A3, which occupies 25.2% of the unit cell's volume (2306.9 A3). Powder X-ray diffraction (PXRD) pattern has been performed confirming the purity of these bulky samples 1. It is worth noting that 1 shows excellent chemical stability, which can maintain structural integrity not only in various solvents but also aqueous environments with pH varying from 2 to 12. Photo-luminescent measurements show that 1 can perform highly sensitive and real-time chemical sensing of nicotinamide with good reusability, high Ksv quenching efficiency (2.24 × 104 M−1) and low detection limit values (0.14 μM). Meanwhile 1 also shows visual photo-luminescent detection of tetraphenylboron (BPh4-, Ph = phenyl) anion in aqueous solutions with high Ksv quenching efficiency (1.16 × 105 M−1) and low detection limit values (0.028 μM). To the best of our knowledge, 1 presents the first example of an ultra-stable 3D zinc(II) nano-porous metal organic material as the bi-functional re-generable luminescent probe for nicotinamide and tetraphenylboron.

Precise synthesis of porous materials is essential for their applications. Self-assembly is a widely used strategy for synthesizing porous materials, but quantitative control of the assembly process still remains a great challenge. Here, a quantitative coassembly approach is developed for synthesizing resin/silica composite and its derived porous spheres. The assembly behaviors of the carbon and silica precursors are regulated without surfactants and the growth kinetics of the composite spheres are quantitatively controlled. This assembly approach enables the precise control of the size and pore structures of the derived carbon spheres. These carbon spheres provide a good platform to explore the structure-performance relationships of porous materials, and demonstrate their pore structure-dependent performance in catalytic water decontamination. This work provides a simple and robust approach for precise synthesis of porous spheres and brings insights into function-oriented design of porous materials.

A quantitative structure–property relationship (QSPR) study was performed for predicting the hydrophobicity of Pt(IV) complexes. Two four-parameter equations, one based solely on structural descriptors derived from electrostatic potentials (ESPs) on molecular surface, and the other integrated ESP descriptors with molecular surface area (AS), were firstly constructed. Mechanistic interpretations of the structural descriptors introduced were elucidated in terms of solute-solvent intermolecular interactions. Subsequently, several up-to-date modeling techniques, including support vector machine (SVM), least-squares support vector machine (LSSVM), random forest (RF) and Gaussian process (GP), were utilized to build the nonlinear models. Systematical validations including leave-one-out cross-validation, the validation for test set, as well as a more rigorous Monte Carlo cross-validation were performed to verify the reliability of the constructed models. The predictive performances of the four different nonlinear modeling methods follow the order of LSSVM≈GP > RF > SVM. The pure-ESP-based models are generally inferior to the AS-integrated ones. Comparisons with previous results were made.

Alzheimer's disease is a progressive neurodegenerative disease, and its incidence is expected to increase as the global population ages. Recent studies provide increasing evidence that inflammation plays a key role in the pathogenesis and progression of AD. Diosgenin, an active ingredient in Dioscorea nipponica Makino, is a promising bioactive lead compound in the treatment of Alzheimer's disease, which exhibited anti-inflammatory activity. To search for more efficient anti-Alzheimer agents, a series of novel diosgenin-triazolyl hybrids were designed, synthesized, and their neuroprotective effects against oxygen-glucose deprivation-induced neurotoxicity and LPS-induced NO production were evaluated. Most of these new hybrids displayed better activities than DIO. In particular, the promising compound L6 not only demonstrated an excellent neuroprotective effect but also showed the best anti-inflammatory activity. The structure-activity relationship study illustrated that the introduction of benzyl or phenyl triazole did improve the activity, and the introduction of benzyl triazole was better than that of phenyl triazole. The results we obtained showed that the diosgenin skeleton could be a promising structural template for the development of new anti-Alzheimer drug candidates, and compound L6 has the potential to be an important lead compound for further research.

A total of 26 compounds based on osthole skeleton were designed, synthesized. Their cytoprotective abilities of antioxidation, anti-inflammation and Aβ42(Amyloid β-protein 42)-induced neurotoxicity were evaluated by MTT assays. Mechanism of the action of selected compounds were investigated by molecular docking. AlogP, logS and blood–brain barrier (BBB) permeability of all these compounds were simulated by admetSAR. Most of the compounds showed better antioxidative and anti-inflammatory activities compared with osthole, especially OST7 and OST17. The compound OST7 showed relative high activity in neuroprotection against H2O2 (45.7 ± 5.5%), oxygen glucose deprivation (64.6 ± 4.8%) and Aβ42 (61.4 ± 5.2%) at a low concentration of 10 μM. EC50 of selected compounds were measured in both H2O2 and OGD induced cytotoxicity models. Moreover, NO inhibiting ability of OST17(50.4 ± 7.1%) already surpassed the positive drug indomethacin. The structure activity relationship study indicated that introduction of piperazine group, tetrahydropyrrole group and aromatic amine group might be beneficial for enhancement of osthole neuroprotective properties. Molecular docking explained that the reason OST7 exhibited relatively stronger neuroprotection against Aβ because of the greater area of interactions between molecule and target protein. OST7 and OST17 both provided novel methods to investigate osthole as anti-AD drugs.

Lithium ore (mineralized) bodies in the area A of central Yunnan Province belong to a sedimentary-type, which are controlled by stratum. The studied ore (mineralized) body mainly occurs in the Middle Permian Liangshan Formation. This work described the morphology, structures, main ore types and geochemical characteristics of this ore body in detail, and discussed the ore-forming material source, occurrence state of lithium and the formation mechanism of lithium ores to clarify the prospecting marks. In the further exploration, comprehensive evaluation of the lithium resources of known bauxite ore bodies in central Yunnan Province should be strengthened, and the exploration of hidden lithium ore bodies should be intensified in order to discover more large and super-large lithium orebodies, which will fill the gap of the national demand for lithium resources, and promote the national defense construction and new energy industry development.

The catalytic properties of ultrafine metal nanoparticles (NPs) are usually limited by their dispersion of NPs; support is thus needed for ultrafine metal NPs. However, single-dimensional supports ...

Recently, peroxymonosulfate (PMS)-based advanced oxidation processes have exhibited broad application prospects in the environment field. Accordingly, a simple, rapid, and ultrasensitive method is highly desired for the specific recognition and accurate quantification of PMS in various aqueous solutions. In this work, SO4•–-induced aromatic hydroxylation was explored, and based on that, for the first time, a novel fluorescence method was developed for the PMS determination using Co2+ as a PMS activator and benzoic acid (BA) as a chemical probe. Through a suite of spectral, chromatographic, and mass spectrometric analyses, SO4•– was proven to be the dominant radical species, and salicylic acid was identified as the fluorescent molecule. As a result, a whole radical chain reaction mechanism for the generation of salicylic acid in the BA/PMS/Co2+ system was proposed. This fluorescence method possessed a rapid reaction equilibrium (

A series of multifunctional 3-piperazinecarboxylate sarsasapogenin derivatives were designed and synthesized against Alzheimer's disease (AD). The protection against H2O2-triggered oxidative stress in PC12 cells, and inhibition on LPS-induced NO production in RAW264.7 cell lines in vitro by these derivatives were firstly evaluated. Most of the compounds showed better antioxidant and antiinflammatory activities compared with sarsasapogenin, especially AA34 and AA36. Structure-activity relationships revealed that benzyl group, electron-donating group and intramolecular hydrogen bond might be beneficial to enhancing their neuroprotective activities. Moreover, Aβ42 was the optimum predicted target based on the high 3D molecular similarity between compound AA36 and caprospinol. In the following experiments, AA36 significantly protected PC12 cells from Aβ-induced damage and improved learning and memory impairments in Aβ-injected mice. Thus AA36 is regarded as a potent anti-AD agent and N-substituted piperazinecarboxylate can be served as a promising structural unit for anti-AD drug design.

Thermal decomposition of a famous high oxidizer ammonium dinitramide (ADN) under high temperatures (2000 and 3000 K) was studied by using the ab initio molecular dynamics method.Two different temperature-dependent initial decomposition mechanisms were observed in the unimolecular decomposition of ADN, which were the intramolecular hydrogen transfer and N-NO2 cleavage in N (NO2)-.They were competitive at 2000 K, whereas the former one was predominant at 3000 K.As for the multimolecular decomposition of ADN, four different initial decomposition reactions that were also temperature-dependent were observed.Apart from the aforementioned mechanisms, another two new reactions were the intermolecular hydrogen transfer and direct N-H cleavage in NH4+.At the temperature of 2000 K, the N-NO2 cleavage competed with the rest three hydrogen-related decomposition reactions, while the direct N-H cleavage in NH4+ was predominant at 3000 K.After the initial decomposition, it was found that the temperature increase could facilitate the decomposition of ADN, and would not change the key decomposition events.ADN decomposed into small molecules by hydrogen-promoted simple, fast and direct chemical bonds cleavage without forming any large intermediates that may impede the decomposition.The main decomposition products at 2000 and 3000 K were the same, which were NH3, NO2, NO, N2O, N2, H2O, and HNO2.

The MADS-box transcription factor (TF) plays a crucial regulatory role in plant vegetative growth, flower and fruit development. Eight MADS-box genes (designated as PpMADS15, 16, 17, 26, 27, 36, 37, 38; GenBank accession nos. KU559581, KU559582, KU559583, KU559592, KU559593, KU559602, KU559603, KU559604, respectively) were isolated from ‘Luxing’ (Prunus persica var. nectarina ‘Luxing’) peach by homologous comparison and RT-PCR, which contained open reading frames (ORF) of 597, 750, 1062, 615, 699, 1 107, 678 and 564 bp, respectively. The results of phylogenetic analysis revealed that PpMADS15 belonged to the AG subgroup, PpMADS16 to the SEP subgroup, PpMADS17 to the MIKC* group, PpMADS26, 27, and 38 to the Mα group, and PpMADS36 and 37 to the Mγ group. The results of the prediction for subcellular localization showed that eight PpMADS proteins were located in the nucleus. The results of promoter analysis indicated that there were multiple putative cis-acting elements that were involved in responsiveness to the following variables: light, defense and stress, low-temperature, heat stress, wound, fungal elicitor, anaerobic induction, MeJA, gibberellin, ABA, auxin, and SA. RT-PCR results showed that PpMADS15 was expressed in leaves, stems, roots, sepals, ovaries, stamens, petals, during flower and fruit development. PpMADS16 was expressed in stems, sepals, ovaries, stamens, petals, during flower and fruit development. PpMADS17 was expressed in stems, sepals, ovaries, stamens, petals, during flower and fruit development (except for 30 d). All members in the Mα and Mγ subgroups were expressed in roots, stems, leaves, sepals, ovaries, stamens, petals and during flower development, but PpMADS27 was expressed only during fruit development. These results suggested that eight PpMADS genes played a crucial regulatory role in vegetative growth, flower and fruit development of peaches.

Bismuth oxychloride (BiOCl) is a typical UV-light-sensitive photocatalyst with a unique layered structure, but exhibits no response towards visible light. This is a main limitation for its practical applications in photocatalytic degradation of pollutants. Among various methods to expand the light absorption region, doping modification is an efficient approach because it can tailor the band structure by forming a doping energy level without changing the layered structure substantially. In this case, the static electric field in the BiOCl crystal can be retained. Since cobalt (Co) exhibits good electrochemical properties, it is an ideal element for doping modification to expand the light absorption region and enhance the charge separation efficiency of BiOCl. In this work, Co-doped BiOCl nanosheets were prepared using a simple hydrothermal route. The doped Co expanded the light absorption region and enhanced the charge separation efficiency by forming a doping energy level in the band gap of BiOCl. As a result, the Co-BiOCl nanosheets exhibited an outstanding photocatalytic performance in degrading bisphenol A (BPA) under visible light irradiation with a degradation rate of 3.5 times higher than that of BiOCl. On the basis of the experimental results and density functional theory calculations, the mechanism of visible-light-driven catalytic BPA degradation by the Co-BiOCl nanosheets was elucidated. Therefore, the feasibility of Co-doping modification for BiOCl was confirmed, and a novel and efficient strategy was provided for the design and synthesis of high-performance photocatalysts.

The persulfate-based advanced oxidation process is a promising technology for water treatment, while its effectiveness depends mainly on the activation efficiency of catalysts and the oxidant yield derived from persulfate. Thus, exploration of efficient and cost-effective activators for persulfate decomposition is highly desired. In this work, biochar, which was synthesized via a facile one-pot pyrolysis of sewage sludge, was proven to be an efficient persulfate activator for pollutant degradation. For a representative endocrine disrupting pollutant, bisphenol A, an average removal rate of 3.21 mol BPA per mol oxidant per h could be achieved by peroxymonosulfate in a wide pH range of 4.0–10.0 at a biochar dosage of 0.2 g L−1. Also, a high mineralization efficiency of ∼80% (total organic carbon removal) was obtained within 30 min. A further catalytic mechanism study demonstrated that singlet oxygen, which was catalytically produced by the ketone structure inside the biochar, was the main reactive species responsible for bisphenol A degradation. More importantly, metals in the sludge precursor were found to play an important role in the active site formation during the pyrolysis of raw sludge. This work not only provides a novel value-added reuse approach for sewage sludge as an efficient persulfate activator but also would be beneficial for further designing and fabricating carbon-based persulfate catalysts.

Iron-nickel-based electrocatalysts are a group of noble-metal-free and high-performance candidate for oxygen evolution reaction (OER), and autoxidation always occurs in their OER process. Autoxidation is a double-edged sword: it could in-situ generate high-catalytic activity sites to accelerate OER, but it also results in the attenuation of conductivity and the dissolution of active components. In this work, we propose a new strategy to relieve the negative impacts of autoxidation on OER through designing three-dimensional (3D) iron-nickel sulfide nanosheets/reduced graphene oxide (FeNiS2 NS/rGO) nanohybrids via a one-pot colloidal method, which enabled the well dispersion and strong coupling of FeNiS2 NS on the rGO. Such an interconnected 3D architecture could facilitate excellent electron transport, provide large amounts of active sites and prevent the dissolution of active components. The FeNiS2 NS/rGO delivered extremely low overpotentials of 270 mV and 200 mV to reach a current density of 10 mA cm−2, and rapid kinetics with Tafe slope of 38 mV dec−1 and 40 mV dec−1 for OER in 0.1 and 1.0 M KOH, respectively. Moreover, they could retain a great stability without activity loss over long-term continuous electrolysis and long-ageing time under air conditions. This work provides an efficient approach to resolve the autoxidation problem of FeNiS2 NS in the OER process and develops a promising earth-abundant OER electrocatalyst towards practical applications.

Two new fluorinated tetranitroadamantanes, 2,6-difluoro-2,4,4,6-tetranitroadamantane and 2,4,6,8-tetrafluoro-2,4,6,8-tetranitroadamantane, were synthesized. 2,6-Difluoro-2,4,4,6-tetranitroadamantane was prepared from 4,4-dinitroadamantane-2,6-dione by a three-step route with an overall yield of 40%. It has a slightly higher crystal density (1.787 g cm-3) than its analogue 2,2,4,4,6,6-tetranitroadamantane (1.777 g cm-3). 2,4,6,8-Tetrafluoro-2,4,6,8-tetranitroadamantane was prepared from 4,8-dihydroxyadamantane-2,6-dione by an eight-step route with an overall yield of 8%. It is notable that the replacement of one nitro group in the gem-dinitro functionality with fluorine might slightly reduce the detonation performance but improve the density and inherent steric hindrance, which makes it possible to introduce more nitro functionalities on the adamantane backbone.

In order to compare the physical and chemical properties of taro in Taizhou area, taro starch was extracted through the method of spray drying , the blue values, solubility, swelling force, amino acid of amylose and amylopectin and taro starch granules were studied. The results showed that the blue values of amylose were1.16, 0.97, 1.1 in Taixing, jingjiang and xinghua taro respectively, the blue values of amylopectin were 0.19, 0.14, 0.13 in Taixing, jingjiang and xinghua taro respectively. In the comparison of solubility, taixing xianghe taro had a wide distribution, the following sequence was observed: jingjiang xiangsha taro >xinghua longxiang taro. Analyses of amino acids were 3.03mg/100g in taixing xianghe taro starch which was more than the other two taros. The nutritional assessment of amino acids suggested that the taixing xianghe and xinghua longxiang taro contained delicious amino acids which of EAA were 38% and 44% respectively. Taixing xianghe taro contained the highest content of phosphorus and potassium, which were 1419 mg/kg and 8084 mg/kg separately. Granule morphology showed that starch particles of taixing xianghe taro were smaller than those of taros and the surface was smooth, uniformly. Particle shape was spherical. Xinghua longxiang taro particles with irregular diamond, Jingjiang xiangsha taro starch particles was irregular sphere, and spherical surface was uneven. Taizhou taro was delicate, delicious, which of the taixing xianghe taro was with better quality on the domestic market.

An efficient domino 1,6-addition/intramolecular cyclization reaction between para-quinone methides (p-QMs) and azlactones under Brønsted acid catalysis was established. A series of highly functionalized dihydrocoumarins were constructed in good to excellent yields (up to 96%) with excellent diastereoselectivities (all >20:1 d.r.). In this process, the Brønsted acid plays a crucial role not only in activating the two substrates, but also in controlling the diastereoselectivity of the reaction via hydrogen-bonding interactions. In addition, this protocol demonstrates the great practicability of utilizing p-QMs in domino reactions.

As the counterparts of the vertebrate adrenergic transmitters, octopamine and tyramine are important physiological regulators in invertebrates. They control and modulate many physiological and behavioral functions in insects. In this study, we reported the pharmacological properties of a new α2-adrenergic-like octopamine receptor (CG18208) from Drosophila melanogaster, named DmOctα2R. This new receptor gene encodes two transcripts by alternative splicing. The long isoform DmOctα2R-L differs from the short isoform DmOctα2R-S by the presence of an additional 29 amino acids within the third intracellular loop. When heterologously expressed in mammalian cell lines, both receptors were activated by octopamine, tyramine, epinephrine and norepinephrine, resulting in the inhibition of cAMP production in a dose-dependent manner. The long form is more sensitive to the above ligands than the short form. The adrenergic agonists naphazoline, tolazoline and clonidine can stimulate DmOctα2R as full agonists. Surprisingly, serotonin and serotoninergic agonists can also activate DmOctα2R. Several tested adrenergic antagonists and serotonin antagonists blocked the action of octopamine or serotonin on DmOctα2R. The data presented here reported an adrenergic-like G protein-coupled receptor activated by serotonin, suggesting that the neurotransmission and neuromodulation in the nervous system could be more complex than previously thought.

A high-efficient, low-cost, and eco-friendly catalyst is highly desired to activate peroxides for environmental remediation. Due to the potential synergistic effect between bimetallic oxides’ two different metal cations, these oxides exhibit superior performance in the catalytic activation of peroxymonosulfate (PMS). In this work, novel Mn1.8Fe1.2O4 nanospheres were synthesized and used to activate PMS for the degradation of bisphenol A (BPA), a typical refractory pollutant. The catalytic performance of the Mn1.8Fe1.2O4 nanospheres was substantially greater than that of the Mn/Fe monometallic oxides and remained efficient in a wide pH range from 4 to 10. More importantly, a synergistic effect between solid-state Mn and Fe was identified in control experiments with Mn3O4 and Fe3O4. Mn was inferred to be the primary active site in the surface of the Mn1.8Fe1.2O4 nanospheres, while Fe(III) was found to play a key role in the synergism with Mn by acting as the main adsorption site for the reaction substrates....

Dopamine is an important neurotransmitter and neuromodulator in both vertebrates and invertebrates and is the most abundant monoamine present in the central nervous system of insects. A complement of functionally distinct dopamine receptors mediate the signal transduction of dopamine by modifying intracellular Ca2+ and cAMP levels. In the present study, we pharmacologically characterized three types of dopamine receptors, CsDOP1, CsDOP2 and CsDOP3, from the rice striped stem borer, Chilo suppressalis. All three receptors show considerable sequence identity with orthologous dopamine receptors. The phylogenetic analysis also clusters the receptors within their respective groups. Transcript levels of CsDOP1, CsDOP2 and CsDOP3 were all expressed at high levels in the central nervous system, indicating their important roles in neural processes. After heterologous expression in HEK 293 cells, CsDOP1, CsDOP2 and CsDOP3 were dose-dependently activated by dopamine and synthetic dopamine receptor agonists. They can also be blocked by different series of antagonists. This study offers important information on three dopamine receptors from C. suppressalis that will provide the basis for forthcoming studies investigating their roles in behaviors and physiology, and facilitate the development of new insecticides for pest control.

C12H16N4O7Cr2Ni, orthorhombic, Pbcn (no. 60), a = 13.7804(5) Å, b = 10.3110(5) Å, c = 16.4118(6) Å, V = 2331.96(17) Å3, Z = 4, R gt(F) = 0.0438, wR ref(F 2) = 0.1111, T = 293(2) K.

As the counterparts of noradrenaline and adrenaline in vertebrates, octopamine (OA) regulates multiple physiological and behavioral processes in invertebrate. OA mediates its effects via binding to specific octopamine receptors (OARs). Functional and pharmacological characterization of OARs have been reported in several insects. However, little work was documented in hemipteran insects. We cloned a β-adrenergic-like OAR (NcOA2B2) from Nephotettix cincticeps. NcOA2B2 shares high similarity with members of the OA2B2 receptor class. Transcript level of NcOA2B2 varied in various tissues and was highly expressed in the leg. After heterologous expression in CHO-K1 cells, NcOA2B2 was dose-dependently activated by OA (EC50 = 2.56 nM) and tyramine (TA) (EC50 = 149 nM). Besides putative octopaminergic agonists, dopaminergic agonists and amitraz and DPMF potently activated NcOA2B2 in a dose-dependent manner. Receptor activity was blocked by potential antagonists and was most efficiently antagonized by asenapine. Phentolamine showed both antagonist and agonist effects on NcOA2B2. Our results offer the important information about molecular and pharmacological characterization of an OAR from N. cincticeps that will provide the basis for forthcoming studies on its roles in physiological processes and behaviors, and facilitate the design of novel insecticides for pest control.

Studies indicated that smilagenin, isolated from Anemarrhena asphodeloides Bunge, could improve cognitive impairment and exhibit neuroprotective activity. On the basis of the structure of smilagenin, a series of derivatives were synthesized and evaluated for their neuroprotective effects of H2O2-induced, oxygen glucose deprivation-induced neurotoxicity in SH-SY5Y cells and LPS-induced NO production in RAW264.7 cells. Structure activity relationship of derivatives revealed that benzyl-substituted piperazine formate derivatives showed the potent neuroprotective activity such as A12. These findings may provide new insights for the development of neuroprotective agents against Alzheimer’s disease.

In microorganisms and plants, N-acetyl-l-glutamate kinase (NAGK) catalyzes the second step in l-arginine synthesis, the phosphorylation of N-Acetyl-l-glutamate (NAG) to give N-acetyl-l-glutamate-5-phosphate. NAGK is only present in microorganisms and plants but absent in mammals, which makes it an attractive target for antimicrobial or biocidal development. Understanding the substrate binding mode and reaction mechanism of NAGK is crucial for targeting the kinase to develop potential therapies. Here, the substrate binding mode was studied by comparing the conformational change of NAGK in the presence and in the absence of the NAG substrate based on molecular dynamics simulations. We revealed that with substrate binding, the catalytic site of the kinase involving three loops in NAGK exhibits a closed conformation, which is predominantly controlled by an interaction between Arg98 and the α-COO- of NAG. Lys41 is found to guide phosphate transfer through the interactions with the β-,γ-, and γ-phosphate oxygen atoms of adenosine 5'-triphosphate surrounded by two highly conserved glycine residues (Gly44 and Gly76), while Arg98 helps to position the NAG substrate in the catalytic site, which facilitates the phosphate transfer. Furthermore, we elucidated phosphate-transfer reaction mechanism using hybrid density functional theory-based quantum mechanics/molecular mechanics calculations (B97D/AMBER99) and found that the catalysis follows a dissociative mechanism.

The complex pathogenesis of Alzheimer’s disease (AD) has become a major obstacle in its treatment. An effective approach is to develop multifunctional agents that simultaneously target multiple pathological processes. Here, a series of diosgenin-indole compounds were designed, synthesized and evaluated for their neuroprotective effects against H2O2 (hydrogen peroxide), 6-OHDA (6-hydroxydopamine) and Aβ (beta amyloid) damages. Preliminary structure-activities relationship revealed that the introduction of indole fragment and electron-donating group at C-5 on ring indole could be beneficial for neuroprotective activities. Results indicated that compound 5b was the most promising candidate against cellular damage induced by H2O2 (52.9 ± 1.9%), 6-OHDA (38.4 ± 2.4%) and Aβ1-42 (54.4 ± 2.7%). Molecular docking study suggested the affinity for 5b bound to Aβ1-42 was −40.59 kcal/mol, which revealed the strong binding affinity of 5b to Aβ1-42. The predicted values of brain/blood partition coefficient (−0.733) and polar surface area (85.118 A2) indicated the favorable abilities of BBB permeation and absorption of 5b. In addition, 5b significantly decreased ROS (reactive oxygen species) production induced by H2O2. In the following in vivo experiment, 5b obviously attenuated memory and learning impairments of Aβ-injected mice. In summary, compound 5b could be considered as a promising dual-functional neuroprotective agent against AD.

A novel series of multitargeted molecules were designed and synthesized by combining the pharmacological role of cholinesterase inhibitor and antioxidant of steroid as potential ligands for the treatment of Vascular Dementia (VD). The oxygen-glucose deprivation (OGD) model was used to evaluate these molecules, among which the most potent compound ML5 showed the highest activity. Firstly, ML5 showed appropriate inhibition of cholinesterases (ChEs) at orally 15 mg/kg in vivo. The further test revealed that ML5 promoted the nuclear translocation of Nrf2. Furthermore, ML5 has significant neuroprotective effect in vivo model of bilateral common carotid artery occlusion (BCCAO), significantly increasing the expression of Nrf2 protein in the cerebral cortex. In the molecular docking research, we predicted the ML5 combined with hAChE and Keap1. Finally, compound ML5 displayed normal oral absorption and it was nontoxic at 500 mg/kg, po, dose. We can draw the conclusion that ML5 could be considered as a new potential compound for VD treatment.

Tetrasubstituted imidazoles were synthesized in high yields via the four-component reaction of aromatic aldehydes, amines, substituted benzils and ammonium acetate catalyzed by a porous CeO2 nanorod. Their anti-cancer activities on the Huh-7 hepatocellular carcinoma cell and antibacterial activities on four bacterial species (wild-type Escherichia coli, wild-type Staphylococcus aureus, Pseudomonas aeruginosa PAM1032 and Escherichia coli-NMD-1) in vitro were evaluated. One compound (5p) was screened out because of its high inhibition rate on all four bacterials at 100 μg/mL. Three products (5p, 5t and 5y) showed a high inhibition rate on the Huh-7 hepatocellular carcinoma cell at 10 μg/mL. The results indicated their potential in new drug development.

Visible light responsive photocatalysts can directly harvest energy from solar light, offering a desirable way to resolve environmental pollution problems through utilizing solar energy. Bismuth oxychloride (BiOCl) with a band gap of about 3.4 eV is widely recognized as an effective photocatalyst for the degradation of organic dye molecules under visible light irradiation, but such a photocatalytic degradation has to be assisted by dye-sensitization. Thus, preparation of BiOCl photocatalyst to achieve visible light response without dye-sensitization is greatly desired, as this would greatly expand their practical applications for the degradation of non-dye pollutants. In this work, oxygen-rich Bi 12 O 17 Cl 2 nanobelts with a band gap of 2.07 eV were synthesized by using a solvothermal route, and their photocatalytic performance was evaluated through photodegrading a colorless contaminant bisphenol A (BPA) in an aqueous solution. In comparison with BiOCl, which is not sensitive to visible light, the oxygen-rich Bi 12 O 17 Cl 2 nanobelts exhibited a drastically enhanced visible-light photoreactivity and were also superior to the well-known photocatalyst TiO 2 (P25). The greatly enhanced photocatalytic performance of the Bi 12 O 17 Cl 2 nanobelts was attributed to their efficient visible light absorption. Our findings might be helpful to explore visible light bismuth-based photocatalysts for pollutant degradation and water treatment.

Regioselective arylthiolations of aromatic amines, arenols and ketones via C–H bond functionalization have been achieved with I2 and PPh3 in an aqueous system, whereby arylsulfenyl radicals are in situ generated from odorless sodium arylsulfinates. The arylsulfenyl radicals can react with free anilines containing electron-withdrawing groups and complex substrates (estrone and progesterone). Further experiments and quantum chemical calculations were also performed to deduce a mechanism for the formation of arylsulfenyl radicals.

A luminescent three-dimensional metal-organic framework generally formulated as [Zn2(OH)(sip)(bpe)(H2O)]H2O (1), has been hydrothermally synthesized and characterized. It represents a new two-fold interpenetrated pillared-layer framework with (63)(69 · 8) topology constructed from π-electron-rich rigid ligand 5-sulfoisophthalic acid coupled with auxiliary ligand 1,2-bis(4-pyridyl)ethane. Interestingly, the strong emission of 1 could be quenched efficiently by trace amounts of Fe3 + at room temperature, even in the presence of other competing analogues, which indicated that 1 can serve as an excellent sensor for specific selective identification and quantification of Fe3 +.

Two new coordination polymers with flexible alicyclic carboxylate ligands, generally formulated as [Pb(chda)]n (1, H2chda = 1,1′-cyclohexanediacetic acid) and [Pb(tmg)]n (2, H2tmg = 3,3′-tetramethyleneglutate), have been successfully synthesized through the liquid–liquid diffusion method. They represent the first main group of metal–organic hybrid compounds assembled from H2chda and H2tmg. Compound 1 crystallized in the non-centrosymmetric space group Pca21, whereas 2 adopts the centrosymmetric P2(1)/c space group. Their structure features one-dimensional infinite chains extended into two-dimensional layer framework. Interestingly, the lead atoms exhibit hemi- as well as holo-directed coordination geometry with coordination number seven in both compounds.

Inactive alicyclic mono-ketones (cyclohexanone and cyclopentanone) were firstly used as reactants to prepare pyrazolopyridine derivatives in good yield through their catalyst-free reaction with 5-aminopyrazole and aromatic aldehyde in ionic liquid.

Porous CeO2 nanorod has been used as efficient and recyclable heterogeneous catalyst for the synthesis of highly functionalized imino-pyrrolidine-thiones via the reaction of aromatic aldehyde (especially one bearing an electron-donating group), malononitrile, isocyanide and unactivated weakly acidic heterocyclic thiophenol. The high catalytic efficiency of porous CeO2 nanorod in this reaction was discussed preliminarily based on their morphology and structure.

Context Oxymatrine (OMT) is beneficial to human health by exerting various biological effects. Objective To investigate the absorption mechanism of OMT and discover absorption enhancers using Madin-Darby canine kidney (MDCK) cell monolayers. Materials and methods Concentration effects on the transport of OMT were measured in the range of 1.0 × 10(-5)-1.0 × 10(-3) M in 2 h. Then, the effect of time, direction, temperature and pH on the transport of OMT at 10(-4) M was studied. Moreover, Papp of OMT was determined in the absence/presence of cyclosporine and surfactants at 100 μM to further confirm the relative transport mechanism. Results The Papp AP→BL ranged from (3.040 ± 0.23) × 10(-6) to (3.697 ± 0.19) × 10(-6 )cm/s as the concentration varied from 10(-5) to 10(-3) M. OMT showed similar Papp at 4 and 37 °C (p > 0.05). Increasing the apical pH 7.4 and 8.0 resulted in Papp versus pH 5.0 (p

Quantitative structure-property relationship (QSPR) models were firstly established for the hydrophobic substituent constant (πX) using the theoretical descriptors derived solely from electrostatic potentials (EPSs) at the substituent atoms. The descriptors introduced are found to be related to hydrogen-bond basicity, hydrogen-bond acidity, cavity, or dipolarity/polarizability terms in linear solvation energy relationship, which endows the models good interpretability. The predictive capabilities of the models constructed were also verified by rigorous Monte Carlo cross-validation. Then, eight groups of meta- or para-disubstituted benzenes and one group of substituted pyridines were investigated. QSPR models for individual systems were achieved with the ESP-derived descriptors. Additionally, two QSPR models were also established for Rekker's fragment constants (foct), which is a secondary-treatment quantity and reflects average contribution of the fragment to logP. It has been demonstrated that the descriptors derived from ESPs at the fragments, can be well used to quantitatively express the relationship between fragment structures and their hydrophobic properties, regardless of the attached parent structure or the valence state. Finally, the relations of Hammett σ constant and ESP quantities were explored. It implies that σ and π, which are essential in classic QSAR and represent different type of contributions to biological activities, are also complementary in interaction site.

The properties of synthetic polyisoprene (PI) cannot rival that of NR, although synthetic PI can achieve similar molecular chain structure (for example molecular weight and molecule chain configuration) to that of NR. It is still a challenge to explore the reason why NR owns superior comprehensive properties. Here our group focuses on the problem why non-rubber components can accelerate crosslinking process from molecular level. From macroscopic perspective, we find that proteins change the crosslinking behaviors and decrease activation energy of crosslinking process. From microscopic perspective, the formation of coordination interaction between Zn2+ and amide bonds of proteins is confirmed, which improves solubility of Zn2+ in matrix and further contributes to crosslinking reaction. In this study, the formation of coordination interaction between proteins and Zn2+ is considered as one of the reasons why NR owns excellent mechanical properties. This article also provides more insightful understanding toward the relationship among structure, components, and properties of NR.

The aim of the present systematic review was to assess the efficacy of laser therapy for ischemic central retinal vein occlusion (CRVO). Relevant studies were retrieved by searching the PubMed, Embase, Chinese Biomedical Literature Database and, Chinese Science and Technology Periodicals databases using a combination of key words, including 'central retinal vein obstruction', 'CRVO', 'laser' and 'panretinal photocoagulation'. The titles, abstracts and full texts were screened by two independent reviewers and studies were selected according to specific inclusion criteria. Data were extracted and the quality of each study was graded using the Grading of Recommendations, Assessment, Development and Evaluation or Methodological Index for Non-Randomized Studies (MINORS) criteria. A total of 1,187 abstracts were retrieved, and finally, 11 clinical studies were selected, including 534 cases of CRVO. Of these, 8 studies compared the efficacy of laser therapy with other treatments for CRVO, two studies compared the efficacy of laser therapy and drug treatment for CRVO and one study compared the efficacy of early laser therapy with standard laser therapy (regular examinations and laser therapy performed as soon as neovascularization was identified) for CRVO. Among them, the results of five studies demonstrated that panretinal photocoagulation (PRP) for the prevention of iris neovascularization and neovascular glaucoma is inefficient regarding the improvement of visual acuity. A total of 10 studies indicated that laser therapy achieved better outcomes in neovascularization of the retina, optic disc neovascularization and iris neovascularization, neovascular glaucoma, vitreous hemorrhage, changes in the visual field, macular edema, macular thickness and intraocular pressure. Of note, it was indicated that laser photocoagulation prevents the severe vascular complications of CRVO. In addition, in the eyes of patients receiving PRP for the treatment of ischemic CRVO, significant reductions in corneal sub-basal nerve plexus parameters and average peripapillary retinal nerve fiber layer thickness were observed. Furthermore, laser photocoagulation was able to increase retinal blood flow in eyes with ischemic CRVO.

The prognosis of colorectal cancer (CRC) is seriously affected by high intestinal mucosal permeability accompanied by increasing tumor load. Berberine, a natural plant-derived product, can protect the intestinal mucosal barrier and suppress tumor growth, but its effects on the intestinal mucosal barrier dysfunction of CRC have not yet been evaluated. Herein, we assessed the effects of berberine on the intestinal mucosal permeability of HCT116 tumor-bearing mice and the underlying mechanism. Berberine (6.25, 12.5, 25 mg/kg) was administered to tumor-bearing mice for 3 weeks by intraperitoneal injection, and saline was given to controls and models. Compared with the control group, tumor-bearing mice had increased intestinal mucosal permeability in the third week. Meanwhile, the body weight decreased by 4%–7%, the concentration of D-lactic acid in plasma increased, and the expressions of ZO1 and Occludin were down-regulated. The intestinal mucosa was impaired. Compared with the model group, berberine inhibited tumor growth in a dose-dependent manner (6.25, 12.5, 25 mg/kg), reduced the permeability of intestinal mucosa, and alleviated intestinal mucosal damage. HPLC showed that berberine decreased the content of polyamines in tumor tissue, whereas increased that in intestinal mucosa tissue. Western blot showed that berberine inhibited the expressions of ODC, C-MYC and HIF-1α, but up-regulated those of OAZ1 and SSAT. In short, berberine may exert antitumor effects by suppressing tumor growth and elevating the intestinal mucosal permeability.

Paris polyphylla var. yunnanensis, named Chong Lou, is considered an antitumor substance. In this study, we investigated the effect of PP-22, a monomer purified from P. polyphylla var. yunnanensis, on the nasopharyngeal carcinoma cell line CNE-2 in vitro. The results showed that PP-22 could inhibit the proliferation of CNE-2 cells via the induction of apoptosis, with evidence of the characteristic morphological changes in the apoptosis in the nucleus and an increase in Annexin V-positive cells. In addition, we found that PP-22 could activate the p38 mitogen-activated protein kinase (MAPK) pathway and that this activation was reversed by SB203580, a specific inhibitor of the p38 MAPK pathway. In contrast, PP-22 promoted apoptosis via an intrinsic pathway, including the endoplasmic reticulum stress pathway, in a caspase-dependent manner. A further study showed that PP-22 also induced apoptosis by downregulating the signal transducers and activators of transcription 3 (STAT3) pathway, and the inhibitory effect was also confirmed by STAT3 small interfering RNA. In addition, PP-22 could promote autophagy by inhibiting the extracellular regulated protein kinases (ERK) pathway. And autophagy plays a protective role against apoptosis. Together, these data show that PP-22 promotes autophagy and apoptosis in the nasopharyngeal carcinoma CNE-2 cell line.

The study was aimed to investigate the absorption and metabolism of oxymatrine (OMT) which contributed to its poor bioavailability. Determinations of OMT absorption and metabolism in rats were evaluated using techniques of the in situ perfused rat intestine-liver preparation and recirculated intestine preparation. Furthermore, chemical inhibition experiments in rat liver microsomes were used to determine the principal cytochrome P450 (CYP) isoforms involved in OMT metabolism. In the intestine-liver preparation, the steady state liver extraction ratio (0.753 ± 0.054) of OMT was 33 times higher than that for the intestine (0.023 ± 0.002). The portal vein mainly consisted of OMT, and was devoid of the metabolite matrine, whereas both OMT and matrine were detected in hepatic vein. With the intestine preparation, the extent of OMT absorption at the end of 120 min of perfusion was 4.79 ± 0.352%. The first-order rate constant for OMT absorption was 0.05 ± 0.003 min(-1). The inhibitor of CYP3A2 had strong inhibitory effect on OMT metabolism in a concentration-dependent manner, and value was reduced to 29.73% of control. The 2 perfusion techniques indicated that poor bioavailability of OMT in rats is due mostly to poor absorption and higher hepatic elimination and CYP3A2 appears to contribute to OMT metabolism in rat liver.

A method of high performance liquid chromatography (HPLC) coupled with tandem mass spectrometry for quantitative determination of bisphenol A (BPA), tetrabromobisphenol A (TBBPA) and 4-Tert-Octylphenol (OP) in urine of children and adults was developed. The frozen urinary samples were unfrozen at room temperature, then extracted by liquid-liquid extraction, evaporated to dryness, and dissolved by methanol so as to be analyzed by LC-MS/MS. The calibration curves for the determination of the three target compounds were linear in the concentration range of 0.2–50 μg L −1 with the correlation coefficients ( R ) greater than 0.99. The quantitative limits (LOQ) for the three target compounds were 0.05–0.27 μg L −1 . The recoveries of different levels (5, 10 and 50 μg L −1 ) were in the range of 85.7%–118.6% and the relative standard deviations (RSD) are 4.1%–10.5% ( n = 3). This method was successfully applied to the determination of BPA, TBBPA and OP in urine samples from 20 groups of children and adults. The results showed that exposure concentrations of TBBPA and OP in urines sample of children and adults were basically same, but exposure levels of BPA had significant difference (children > adults).