Mechanocatalytic Polymerization and Cross-Linking in a Polymeric Matrix

A latent olefin metathesis catalyst, bearing two polymeric NHC ligands, was embedded in a semicrystalline polymer matrix containing cyclic olefins. The catalyst was activated by straining the solid material under compression, resulting in polymerization and cross-linking reactions of the monomers in situ. Catalyst activation in the solid state may be employed in new self-healing materials

Data_Sheet_1_The influence of KCl concentration on the gelation of myofibrillar protein giant squid (Dosidicus gigas) due to molecular conformation change.docx

IntroductionProtein gelation process is of importance in food industry. The objective of this study is to investigate the influence of salt concentration variation, which induced protein conformation change, on protein’s intermolecular interactions and its gelation process.MethodsParamyosin has been separated and purified from myofibrillar protein extracted from giant squid. Then Giant squid’s paramyosin molecular mass and intermolecular interactions were quantified by means of light scattering techniques. Finally, the micro-rheology study via diffusing wave spectroscopy (DWS) technique revealed that this conformation change dramatically affected myofibrillar protein gelation process.ResultsThe obtained apparent molecular weight (ca 2 × 105 g/mol) suggested that protein molecules existed as dimers, while the second virial coefficient A2 significantly reduced from −3.98456 × 10−5 to −5.07575 × 10−4 ml mol/g2 when KCl concentrated from 0.15 to 1 mol/L. Light scattering data also suggest that paramyosin dimers are stiff, with a persistence length of 120 nm, almost the length of a molecule and independent of salt concentration. Mean-square displacement (MSD) of tracer particles at 5 temperatures with 4 salt concentrations displayed that this conformation change had dramatic effect. Therefore, G’ and G” were remarkably altered with at least one order of magnitude difference owing to this event occurrence.ConclusionsParamyosin conformation change due to KCl concentrated enhances attractive interactions with apparent molecular mass increase, which resulted in majority paramyosin molecules (> 99%) in dimeric form and promoted aggregates formation. DWS technique revealed that the conformation change dramatic affected this process characterized by the correlation functions, MSD, and G’ and G”. This study brings forward data on understanding the effect of a major salt supplement, KCl, on the chemical physics of a major muscle protein.</p

Design, Synthesis, Antiviral Activity, and SARs of 14-Aminophenanthroindolizidines

Based on our previous structure–activity relationship and antiviral mechanism studies, a series of 14-aminophenanthroindolizidines (<b>1a</b>–<b>i</b>, <b>2</b>, and <b>3</b>) were designed, targeting tobacco mosaic virus (TMV) RNA, and synthesized and systematically evaluated for their antiviral activity against TMV. The bioassay results showed that most of these compounds exhibited good to excellent in vivo anti-TMV activity, of which compounds <b>1d</b> and <b>1h</b> displayed significantly higher activity than commercial ningnanmycin, and thus emerged as potential inhibitors of plant virus. The introduction of amino groups at the 14-position of phenanthroindolizidines, which is proposed to interact with arginine residues around the TMV RNA, increased anti-TMV activity

Changes of Nitrate Activity and Byproduct Distribution Characteristics for Synergistic NOx and Dioxin Abatement over V₂O₅/AC Catalyst

The simultaneous removal of NOx and dioxins has been considered an economical and effective technology of controlling multipollutant flue gas in the context of “carbon peaking and carbon neutrality”. However, this technology has not yet been implemented in practical situations, because the interactive relationship between the selective catalytic reduction (SCR) reaction and dioxin catalytic oxidation lacks a deep understanding, especially on a carbon-based catalyst. In this research, the influence of NO and NH3 on the oxidation characteristics and byproducts distribution of dibenzofuran (DBF) was studied on V2O5/AC catalyst. Results indicated that NH3 has a stronger inhibition effect for DBF catalytic oxidation than NO due to obvious competitive adsorption between NH3 and DBF on the V2O5/AC catalyst. In addition, although both NO and NH3 inhibit the complete degradation of DBF, their effects on the byproduct distribution are not consistent. NO primarily affects the level of oxygen-containing byproducts, while NH3 primarily affects the level of alkane byproducts. Furthermore, the SCR reaction activity demonstrated a reduction when DBF was present. The occupation of V2O5 sites by DBF and its oxidizing intermediates has hindered the production of monodentate nitrate and the reactivity of bridged nitrate, resulting in a decrease in SCR activity via the L-H mechanism. This work aims to provide theoretical guidance for simultaneous removal of NOx and dioxins in industrial fumes

Bi Quantum Dots Supported on BiOBr Nanoparticles and Loaded on Porous ZnO as a Photocatalyst for Dye Degradation and H₂ Production

Synergetic photocatalytic H2 production by organic dye photodegradation is always a goal. However, the related research has been hindered due to the uncontrollability of this process. This study prepares the ZnO/Bi-QDs/BiOBr photocatalyst, and the hole (h+) aggregation phase (ZnO) is constructed into a lamellar porous structure to improve its adsorption capacity for dyes based on the energy level structure of the composite. By this method, the reactive groups used for photodegradation of dyes are controlled to h+ and •OH, e– is used for photocatalytic H2 production, and the synergistic effect of dye photodegradation and photocatalytic H2 production is realized. Under the action of this photocatalyst and visible light, rhodamine B (RhB) is completely degraded in 8 min, the time can be reduced to 2 min when pH is 5, and it can realize the complete degradation of RhB in 120 min under natural sunlight. The H2 production rate reaches 1678 μmol·g–1·h–1 in RhB (h+ scavenger) aqueous solution under visible light. This study provides an effective method and design idea for the design of photocatalysts with photocatalytic H2 production during the photodegradation of organic dyes

Copper-Catalyzed One-Pot Synthesis of 1,2,4-Triazoles from Nitriles and Hydroxylamine

A simple and efficient copper-catalyzed one-pot synthesis of substituted 1,2,4-triazoles through reactions of two nitriles with hydroxylamine has been developed. The protocol uses simple and readily available nitriles and hydroxylamine hydrochloride as the starting materials and inexpensive Cu­(OAc)₂ as the catalyst, and the corresponding 1,2,4-triazole derivatives are obtained in moderate to good yields. The reactions include sequential intermolecular addition of hydroxylamine to one nitrile to provide amidoxime, copper-catalyzed treatment of the amidoxime with another nitrile, and intramolecular dehydration/cyclization. This finding provides a new and useful strategy for synthesis of 1,2,4-triazole derivatives

Copper-Catalyzed One-Pot Synthesis of 1,2,4-Triazoles from Nitriles and Hydroxylamine

A simple and efficient copper-catalyzed one-pot synthesis of substituted 1,2,4-triazoles through reactions of two nitriles with hydroxylamine has been developed. The protocol uses simple and readily available nitriles and hydroxylamine hydrochloride as the starting materials and inexpensive Cu­(OAc)₂ as the catalyst, and the corresponding 1,2,4-triazole derivatives are obtained in moderate to good yields. The reactions include sequential intermolecular addition of hydroxylamine to one nitrile to provide amidoxime, copper-catalyzed treatment of the amidoxime with another nitrile, and intramolecular dehydration/cyclization. This finding provides a new and useful strategy for synthesis of 1,2,4-triazole derivatives

Additional file 1 of A multifunctional ‘golden cicada’ nanoplatform breaks the thermoresistance barrier to launch cascade augmented synergistic effects of photothermal/gene therapy

Supplementary Material

Retrieving novel C5aR antagonists using a hybrid ligand-based virtual screening protocol based on SVM classification and pharmacophore models

<div><p>C5aR antagonists have been thought as potential immune mediators in various inflammatory and autoimmune diseases, and discovery of C5aR antagonists has attracted much attention in recent years. The discovery of C5aR antagonists was usually achieved through high-throughput screening, which usually suffered a high cost and a low success rate. Currently, the fast developing computer-aided virtual screening (VS) methods provide economic and rapid approaches to the lead discovery. In this account, we proposed a hybrid ligand-based VS protocol that is based on support vector machine (SVM) classification and pharmacophore models for retrieving novel C5aR antagonists. Performance evaluation of this hybrid VS protocol in virtual screening against a large independent test set, T-CHEM, showed that the hybrid VS approach significantly increased the hit rate and enrichment factor compared with the individual SVM classification model-based VS and pharmacophore model-based VS, as well as molecular docking-based VS in that the receptor structure was created by homology modeling. The hybrid VS approach was then used to screen several large chemical libraries including PubChem, Specs, and Enamine. Finally, a total of 20 compounds were selected from the top ranking hits, and shifted to the subsequent <i>in vitro</i> and <i>in vivo</i> studies, which results will be reported in the near future.</p> </div

Optical–Electrical–Chemical Engineering of PEDOT:PSS by Incorporation of Hydrophobic Nafion for Efficient and Stable Perovskite Solar Cells

In PIN-type perovskite solar cells (PSCs), the hydroscopicity and acidity of the poly­(3,4-ethylenedioxythiophene)-poly­(styrene-sulfonate) (PEDOT:PSS) hole transport layer (HTL) have critical influences on the device stability. To eliminate these problems, Nafion, the hydrophobic perfluorosulfonic copolymer, is incorporated into PEDOT:PSS by a simple spin-coating process. For the modified film, Nafion/PSSH (poly­(styrene sulfonate) acid) acts as an electron-blocking layer on the surface and the PEDOT-rich domain tends to gather into larger particles with better interchain charge transfer inside the film. Consequently, the modified PEDOT:PSS HTL shows enhanced conductivity and light transmittance as well as more favorable work function, ending up with the increased short-circuit current density (<i>J</i>_sc) and open-circuit voltage (<i>V</i>_oc) of the device. Finally, PSCs with Nafion-modified HTLs achieve the best power conversion efficiency of 16.72%, with 23.76% improvement compared with PEDOT:PSS-only devices (13.51%). Most importantly, the device stability is obviously enhanced because of the hydrophobicity and chemical and mechanical stability of the Nafion polymer that is enriched on the surface of the PEDOT:PSS film