Preparation of 4-sulfonylcalix[6]arene modified Fe<Subscript>3</Subscript>O<Subscript>4</Subscript> as adsorbent for adsorption of U(VI) from aqueous solution

The 4-sulfonylcalix[6]arene modified Fe₃O₄ (MFS) was characterized by FT-IR, SEM, VSM, TGA, etc., which showed that its saturation magnetization was 64.99 emu g^?1 with the particle size 10–40 nm. The maximum adsorption efficiency by MFS for 2.5 mg L^?1 U(VI) solution amounted to 94.39%, which was higher than that by Fe₃O₄ (65.22%) under its optimum adsorption conditions. The adsorption of MFS and Fe₃O₄ were both followed the pseudo-second order model and the Langmuir isotherm model. The Gibbs free energy change and enthalpy change revealed that the adsorption of U(VI) by MFS was a spontaneous and endothermic process.     

Using random forest to classify T-cell epitopes based on amino acid properties and molecular features

T-lymphocyte (T-cell) is a very important component in human immune system. T-cell epitopes can be used for the accurately monitoring the immune responses which activation by major histocompatibility complex (MHC), and rationally designing vaccines. Therefore, accurate prediction of T-cell epitopes is crucial for vaccine development and clinical immunology. In current study, two types peptide features, i.e., amino acid properties and chemical molecular features were used for the T-cell epitopes peptide representation. Based on these features, random forest (RF) algorithm, a powerful machine learning algorithm, was used to classify T-cell epitopes and non-T-cell epitopes. The classification accuracy, sensitivity, specificity, Matthews correlation coefficient (MCC), and area under the curve (AUC) values for proposed method are 97.54%, 97.22%, 97.60%, 0.9193, and 0.9868, respectively. These results indicate that current method based on the combined features and RF is effective for T-cell epitopes prediction.     

Sulfur Precursor Reactivity Affecting the Crystal Phase and Morphology of Cu2−xS Nanoparticles

For plasmonic copper-deficient Cu_2−xS nanoparticles (NPs), accurate control of the crystal phase and morphology is highly desirable as both of which are known to determine the localized surface plasmon resonance (LSPR) wavelength and amplitude. Here, how the sulfur precursor reactivity in the synthesis of Cu_2−xS NPs affects the resulting crystal phase and morphology is examined. Djurleite Cu_1.94S, roxbyite Cu_1.8S, digenite Cu_1.8S as well as covellite CuS nanodisks were synthesized by using 1-dodecanethiol, N,N-dibutylthiourea, and crystal sulfur 1-octadecene/oleylamine solutions and their crystal phase dependent LSPR properties were exhaustively discussed. In addition, crystal phase interconversion between covellite CuS and djurleite/roxbyite Cu_2−xS was realized in the presence of the above sulfur precursors. On the other hand, djurleite Cu_1.94S nanorods rather than nanodisks were prepared by replacing 1-dodecanethiol with more reactive tert-dodecanethiol. The structural and morphological Cu_2−xS NPs here holds great promise in the application of photothermal therapy, photocatalysis, surface-enhanced Raman scattering (SERS), and many others.     

Improved λ/4 phase-shifted DFB semiconductor laser with spatial hole burning compensation using grating chirp

A λ/4 phase-shifted distributed feedback (DFB) semiconductor laser with a preformed chirped grating used to compensate the spatial hole burning (SHB) induced index change is proposed and analyzed. It shows that compared with the three phase shifted DFB laser which is known for its good performance to eliminate SHB, the proposed SHB compensated laser has better single longitudinal mode property, narrower spectral linewidth and better dynamic characteristics.     

Synthesis of S-monofluoromethyl phosphorothioates from PⅤ-H compounds and PhSO2SCH2F

S-Monofluoromethyl phosphorothioates represent an important class of organofluorine compounds and are re ported here for the first time.A series of S-monofluoromethyl phosphorothioates are conveniently synthesized from different P^Ⅴ-H compounds and PhSO₂SCH₂F under mild conditions.The method is compatible with common functional groups and provides potential opportunities to synthesize new bioactive molecules for medicinal chemistry.     

Spectroscopic and Binding Properties of Berberine to DNA and Its Application to DNA Detection

Berberine(BER) binds to the double helical DNA with a high affinity There is only a much smaller hypochromism and no shifts in the absorption spectra when BER binds to calf thymus DNA(CT DNA) The fluorescence yields increase dramatically when BER binds to DNA, with no shifts in the emission maximum. These spectral changes are in contrast to the behavior observed with many fluorescent intercalates Groove binding rather than intercalation was suggested to be the cause of these spectral changes. Consistent with groove binding, for polyamide anion quenching studies showed that the magnitude of K_sv of the bound BER was higher than that of the free BER. The addition of salt to the solution releases the DNA-bound drug action from the groove and causes a decrease in the fluorescence yield. The results of all above studies proved the groove binding of BER to DNA. The large fluorescence enhancements observed when BER binds to DNA and the poor fluorescence yield of BER in the absence of DNA can be used for sensitive detection of DNA The linear concentration range was 0–20μg/ml The limit of detection for CT DNA was 12 ng/ml     

Active-to-absorbing phase transition subjected to the velocity fluctuations in the frozen limit case

The directed bond percolation process is studied in the presence of compressible velocity fluctuations with long-range correlations. We discuss a construction of a field theoretic action and a way of obtaining its large scale properties using the perturbative renormalization group. The most interesting results for the frozen velocity limit are given.     

N-heterocyclic carbene-mediated formal [3+3] annulation of isatin-derived α, β-unsaturated acids: Access to functionalized 3,4′-spirooxindole δ-lactones

An in situ activation of isatin-derived α,β-unsaturated acids 2 for the generation of isatin-derived α,β-unsaturated acyl azoliums II was described. The acyl azoliums II were successfully applied to undergo a formal [3 + 3] annulation with 1,3-dicarbonyl compounds to access functionalized 3,4′-spirooxindole δ-lactones 4. A scale-up synthesis and an enantioselective variant of this protocol were also investigated. The stable and easily prepared acids 2 may be further utilized as promising versatile electrophilic 1,3-synthons for divergent synthesis of spirooxindoles.