Notes

Story non-local effects in three-terminal cross products along with massive dot.
It was found that 6-halo-2-pyridones catalysed ester aminolysis in which not only reactive aryl esters but also relatively less reactive methyl and benzyl esters could be used as a substrate. The reaction could be performed without strictly dry and anaerobic conditions and the 6-chloro-2-pyridone catalyst could be recovered quantitatively after reaction. The method could be applied to dipeptide synthesis from methyl or benzyl esters of amino acids, where a high enantiomeric purity of the products was maintained. The mechanism involving dual activation of ester and amine substrates through hydrogen bonding between catalyst and substrates is proposed where 6-halo-2-pyridones act as a bifunctional Brønsted acid/base catalyst.p-Sulfonatocalix[n]arenes have shown excellent potential for accommodating chemotherapeutic drugs through host-guest complexation and enhancing their anticancer activity. Betaine has been reported to exert an anticancer effect at high concentrations. In order to increase its concentration in cancer cells, we have complexed it with p-SC4, which releases its content in an acidic environment typical of cancer tissue. In this work, a host-guest complex of the chemically stable, natural, and safe active methyl donor (betaine) and p-sulfonatocalix[4]arenes (p-SC4) was designed and characterized using 1H NMR, UV, Job's plot analysis, DFT calculations, and molecular modeling for use in cancer therapeutics. The peak amplitude of the prepared host-guest complexes was linearly proportional to the concentration of betaine in the range of 1.0 × 10-5 M-1 to 2.5 × 10-4 M-1. The reaction stoichiometry between p-SC4 and betaine in the formed complex was 1  1. The stability constant for the complex is 8.9 × 104 M-1 which corresponds to a complexation free energy of -6.74 kcal mol-1. Complexation between betaine and p-SC4 was found to involve the insertion of the trimethylammonium group of betaine into the p-SC4 cavity, as supported by the experimental data. The complex displayed enhanced cytotoxic activities against breast adenocarcinoma cells (MCF-7) and cervical cancer cells (HeLa) compared to free betaine. In conclusion, the host-guest complexation of betaine with p-SC4 increases its concentration in cancer cells, which warrants further investigation for cancer therapy.Dimensionality engineering has proved to be a reliable strategy for addressing the issue of perovskite stability. In this study, a series of previously unreported low-dimensional organic-inorganic hybrid perovskite single crystals were designed and grown by following a simple hydrothermal approach involving solution processing. The as-prepared terpyridine-derived perovskite single crystals displayed tunable structures and electronic dimensionality, which was closely associated with the crystal growth conditions. The performed DFT calculations suggested that the fluctuating conduction band edge demonstrates obvious charge delocalization associated with the π-conjugation effect, a feature promoting efficient charge transport by means of coupling structural dimensionality and electronic dimensionality. This study has provided new ideas for the design of new materials to be used in fields involving photovoltaic devices.The Ce3+/Tb3+ doped Ba3La2(BO3)4 phosphors were synthesized by a conventional solid state reaction method. The synthesized phosphor samples are a single phase of Ba3La2(BO3)4 and showed angular-shaped fine grains with average particle size from 5 μm to 10 μm. The Ba3La2(BO3)4Ce3+ phosphors showed an asymmetric broad blue emission under excitation at 365 nm and the Ba3La2(BO3)4Tb3+ phosphors exhibited typical green emission assigned to the 4f-4f transition of Tb3+ under excitation at 254 nm. Under near-UV (365 nm) excitation, Ba3La2(BO3)4Ce3+,Tb3+ phosphors showed both a blue emission band and green emission peaks due to Ce3+ and Tb3+, respectively. By optimizing the composition, cyan-blue emission with high color purity (CIE chromaticity coordinate values x = 0.2557 and y = 0.3839) was obtained for the Ba3La2(BO3)40.05Ce3+,0.03Tb3+ phosphor, and the internal quantum efficiency of the phosphor at the excitation wavelength of 365 nm is estimated to be 50%. The dental glazing paste prepared by mixing organic binder, Ba3La2(BO3)4Ce3+,Tb3+ phosphors, and low T g glass was successfully vitrified when it was heated at 600 and 700 °C, and showed high chemical stability of the luminescence properties in acidic aqueous solution (pH = 4).Untargeted metabolomics is a powerful tool in chemical fingerprinting. It can be applied in phytochemistry to aid species identification, systematic studies and quality control of bioproducts. https://www.selleckchem.com/products/fin56.html This approach aims to produce as much chemical information as possible, without focusing on any specific chemical class, thus, requiring extensive chemometric effort. This study aimed to evaluate the feasibly of an untargeted metabolomics method in phytochemistry by a study case of the Copaifera genus (Fabaceae). This genus contains significant medicinal species used worldwidely. Copaifera exploitation issues include a lack of chemical data, ambiguous species identification methods and absence of quality control for its bioproducts. Different organs of five Copaifera species were analysed by UHPLC-HRMS/MS, GNPS platform and chemometric tools. Untargeted metabolomics enabled the identification of 19 chemical markers and 29 metabolites, distinguishing each sample by species, plant organs, and biome type. Chemical markers were classified as flavonoids, terpenoids and condensed tannins. The applied method provided reliable information about species chemodiversity using fast workflow with little sampling size. The untargeted approach by UHPLC-HRMS/MS proved to be a promising tool for species identification, pharmacological prospecting and in the future for the quality control of extracts used in the manufacture of bioproducts.A new solvate of clonixin (CLX), a dimethylacetamide (DMA) solvate, has been obtained by crystal growth in DMA. The new form was characterized by NMR, single-crystal X-ray diffraction, and PXRD. The crystal structure is stabilized by a strong hydrogen bond between the carboxylic acid OH of CLX and the DMA carbonyl, the strength of which is on par with those of the four solvent-free forms of CLX and the DMF solvate. These previously known forms are based on either the acid-acid homosynthon or the acid-pyridine heterosynthon, depending on the dihedral angle between the two aromatic rings of CLX, or the heterodimer between CLX and DMF. The new solvate loses DMA to convert into form I of CLX, as confirmed by differential scanning calorimetry (DSC) and powder X-ray diffraction (PXRD), similar to how the DMF solvate does. A comparison of the two solvates was carried out and theoretical studies were performed to shed light on the conformational difference between the two CLX molecules in the two solvates and the packing differences between them. The insight gained on this solvatomorphic system could aid the design of new solvates and cocrystals of CLX.Two viologen complexes containing N,N'-bis(carboxyethyl)-4,4'-bipyridinium (BCEbpy) were prepared, namely [Zn(H2O)6]·(BCEbpy)·(p-BDC)·3H2O (1) and [Co(H2O)6]·(BCEbpy)·(p-BDC)·3H2O (2) (p-H2BDC = 1,4-benzenedicarboxylic acid), and their crystal structures, photochromism, frontier molecular orbitals, Hirshfeld surfaces and 2D fingerprint plots were investigated. The modulation effects of pi-pi interactions were explored on the electronic and photochromic properties of compounds 1 and 2. Due to the existence of photo-response viologen radicals, both complexes 1 and 2 display excellent photo-response properties in the sequence 1 less then 2. The results indicate that compound 1 exhibits intramolecular electron transfer; compound 2 exhibits both intramolecular and intermolecular electron transfer, which is mainly due to the change of electronic and steric structures caused by pi-pi interactions with a faster photo-response rate than that of compound 1. The donor-acceptor modes, matching principles and inter/intramolecular atom-atom close contacts were illustrated by the density functional theory (DFT)-B3LYP/6-311(d,p) method.The underlying dentin could be exposed to a humid atmosphere filled with bacteria if the covering enamel layer is broken because of external chemical and physical conditions. Accordingly, some diseases like bacterial invasion and dentin hypersensitivity often occur, which impact the daily life of patients. The study is aimed at evaluating the occluding effects of mesoporous calcium silicate nanoparticles (MCSNs) on the dentinal tubules in vitro and in vivo, as well as the antibacterial property and drug delivery ability when loaded with chlorhexidine (CHX) in vitro. MCSNs were synthesized according to the standard protocol. After a series of complimentary evaluations in vitro and in vivo, it was found that MCSNs and CHX-MCSNs could continually form apatite-like enamel layers on the exposed dentinal tubules and significantly reduced dentin permeability both in vitro and in vivo. Besides, MCSN and CHX-MCSN possessed low cytotoxicity in vitro, and only mild pulp inflammation was observed in two MCSNs containing groups in vivo. In addition, MCSN loaded with CHX released CHX sustainably and revealed a significant antibacterial effect against E. faecalis in vitro. Therefore, the results suggest that MCSN could be used as a promising biomaterial to occlude the dentinal tubules and carry antibiotics for avoiding further pulp infection.Dysprosium-doped zinc oxide (ZnO) thin films have been prepared through spray pyrolysis onto glass substrates. Cross-sections of the deposited thin films were assessed through Scanning Electron Microscopy (SEM), showing thicknesses between 200 and 300 nm. The thin film roughness was evaluated using the obtained images from the Atomic Force Microscope (AFM) micrographs. The crystallographic structure of the samples was analyzed by X-ray diffraction (XRD) revealing polycrystalline thin films. However, the slight shift towards a higher 2θ angle in Dy-doped ZnO films as compared to the pure ones indicates the incorporation of Dy3+ into the ZnO crystal lattice. The analysis of the oxidation state via X-ray photoelectron spectroscopy (XPS) confirms the incorporation of Dy ions in the ZnO matrix. Besides, UV-Vis-NIR spectrophotometry analysis and photoluminescence (PL) spectroscopy showed that bandgap energy values of ZnO decreased when dysprosium doping increased. Therefore, Dy doped ZnO thin films can be potentially used as a solar-light-driven photocatalyst. Among the different doping yields, the ZnO doped with 6% dysprosium provides the highest degradation rate for methylene blue (MB) under solar irradiation. Specifically, 9% of dye degradation was achieved under sunlight irradiation for 120 minutes.A one-step preparation method for hybrid electromagnetic nanomaterials based on polydiphenylamine (PDPA) and bimetallic Co-Fe particles in the absence and presence of single-walled carbon nanotubes (SWCNT) was proposed. During IR heating of PDPA in the presence of Co(ii) and Fe(iii) salts in an inert atmosphere at T = 450-600 °C, the polycondensation of diphenylamine (DPA) oligomers and dehydrogenation of phenyleneamine units of the polymer with the formation of C[double bond, length as m-dash]N bonds and reduction of metals by evolved hydrogen with the formation of bimetallic Co-Fe particles dispersed in a polymer matrix occur simultaneously. When carbon nanotubes are introduced into the reaction system, a nanocomposite material is formed, in which bimetallic Co-Fe particles immobilized on SWCNT are distributed in the matrix of the polymer. According to XRD data, reflection peaks of bimetallic Co-Fe particles at diffraction scattering angles 2θ = 69.04° and 106.5° correspond to a solid solution based on the fcc-Co crystal lattice.
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