2D NiFe/CeO₂ Basic-Site-Enhanced Catalyst via in-Situ Topotactic Reduction for Selectively Catalyzing the H₂ Generation from N₂H₄·H₂O

An economical catalyst with excellent selectivity and high activity is eagerly desirable for H₂ generation from the decomposition of N₂H₄·H₂O. Here, a bifunctional two-dimensional NiFe/CeO₂ nanocatalyst with NiFe nanoparticles (∼5 nm) uniformly anchored on CeO₂ nanosheets supports has been successfully synthesized through a dynamic controlling coprecipitation process followed by in-situ topotactic reduction. Even without NaOH as catalyst promoter, as-designed Ni_0.6Fe_0.4/CeO₂ nanocatalyst can show high activity for selectively catalyzing H₂ generation (reaction rate (mol_N2H4 mol^–1_NiFe h^–1): 5.73 h^–1). As ceria is easily reducible from CeO₂ to CeO_2–<i>x</i>, the surface of CeO₂ could supply an extremely large amount of Ce³⁺, and the high-density electrons of Ce³⁺ can work as Lewis base to facilitate the absorption of N₂H₄, which can weaken the N–H bond and promote NiFe active centers to break the N–H bond preferentially, resulting in the high catalytic selectivity (over 99%) and activity for the H₂ generation from N₂H₄·H₂O

Ni/graphene Nanostructure and Its Electron-Enhanced Catalytic Action for Hydrogenation Reaction of Nitrophenol

Two-dimensional (2D) heterostructured Ni/graphene nanocomposites were constructed via electrostatic-induced spread by following in situ-reduction growth process for magnetically recyclable catalysis of <i>p</i>-nitrophenol to <i>p</i>-aminophenol. The heterostructures with large 2D surface and moderate inflexibility enable the superior catalytic activity and selectivity toward hydrogenation reaction for p-nitrophenol. On the basis of high-efficiency utilization of Ni Nps catalysis activity and electron-enhanced effect from graphene, the coupling effect of Ni/graphene magnetic nanocomposites can lead to highly catalytic activity for the hydrogenation reaction of p-nitrophenol with the pseudo-first-order rate constants of 11.7 × 10^–3 s^–1, which is over 2-fold compared to Ni Nps (5.45 × 10^–3 s^–1) and higher than reported noble metal nanocomposites. Complete conversion of <i>p</i>-nitrophenol was achieved with selectivity to <i>p</i>-aminophenol as high as 90% under atmosphere and room temperature. Additionally, this heterostructured magnetic nanocatalyst can be efficiently recycled with long lifetime and stability over 10 successive cycles. This work displayed the value of non-noble metal/graphene nanocomposites in catalysts development for green chemistry

Solvothermal Synthesis of NiCo Alloy Icosahedral Nanocrystals

New dimensional NiCo alloy icosahedral nanocrystals with controllable size have been first reported and synthesized through an Ostwald ripening process in a template-absent solvothermal reaction system. The proposed synthesis is corroborated by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction analysis (XRD), energy-dispersive X-ray spectroscopy (EDX), and X-ray photoelectron spectroscopy (XPS). The as-obtained NiCo icosahedral nanocrystals exhibit the size- and component-dependent magnetic behaviors. The coercivity (<i>H</i>_c) depends on both the magnetocrystalline and structure anisotropy, and the saturation magnetizations (<i>M</i>_s) decided by the content of Co. <i>H</i>_c decreases from 189.02 to 147.95 Oe with the increase of the icosahedral NCs size from 200 to 850 nm. Especially, the <i>H</i>_c of the icosahedral NCs at 157.38 Oe is higher than that of nanospheres at 104.02 Oe. In addition, <i>M</i>_s and <i>H</i>_c increased with the increasing Co content. It can be an ideal building block for applications in magnetic media, sensors, and other devices

Fe₃O₄/FeNi Embedded Nanostructure and Its Kinetic Law for Selective Catalytic Reduction of <i>p</i>‑Nitrophenyl Compounds

To meet the requirement of high catalytic efficiency toward the reduction of <i>p</i>-nitrophenyl compounds, we designed a new one-dimensional Fe₃O₄/FeNi embedded-nanostructured catalyst synthesized by a one-pot controlling-growth-reduction process in a solvothermal system, in which Fe₃O₄ phase was implanted in the base of FeNi alloy. In the Fe₃O₄/FeNi catalyst system, the Fe₃O₄ embedded phase attracts the nitro group of <i>p</i>-nitrophenyl compounds by its high-density electrons, which can efficiently promote the activity of amorphous FeNi active centers for selective catalysis toward the reduction of a range of <i>p</i>-nitrophenyl compounds. Moreover, for the para-group in the nitrophenyl compounds, an increasing electron-donating power contributes to a higher catalytic activity, while electron-withdrawing power obtains the reverse case. Additionally, the Fe₃O₄/FeNi composite nanocatalyst exhibited an outstanding cycling performance over 20 times without obvious performance decay. This work opens an avenue to design more powerful non-noble metal catalysts for green chemistry

Novel-Phase Structural High-Efficiency Anode Catalyst for Methanol Fuel Cells: α‑(NiCu)₃Pd Nanoalloy

An approach has been explored to highly improve the catalytic activity and stability for methanol oxidation reaction (MOR) by using dominant α-(NiCu)₃Pd phase-structural NiCuPd nanoparticles (NPs) as anode catalysts. The NiCuPd alloy NPs are monodispersed with the diameter of ∼10 nm and have been prepared by the reduction of Pd­(acac)₂, Ni­(acac)₂, and Cu­(acac)₂ following alloying growth process. In the Ni–Cu–Pd alloy system, Ni atoms fused in Cu₃Pd phase to form α-(NiCu)₃Pd phase together with NiCuPd solid solution phase. As Ni concentration gradually enriched, the crystallinity of α-(NiCu)₃Pd became higher, while its percentage decreased by one degree. Owing to the synergistic effect between components and facet atom arrangement, the catalytic activity and stability of NiCuPd NPs can be adjusted toward the MOR in alkaline media. The maximized crystallinity of α-(NiCu)₃Pd results in the largest catalytic activity. Compared with commercial Pd/C with (111) facets, α-(NiCu)₃Pd phase with (117) facets afforded a more open-atom arrangement surface and exhibited the remarkable catalytic activity and stability. Containing maximized crystallinity of α-(NiCu)₃Pd, Ni₆₃Cu₁₂Pd₂₅ NP-modified electrode, afforded the highest catalytic activity (333 mA·mg^–1) toward the MOR, which is about 2.5 times higher than that of the commercial Pd/C-modified one (145 mA·mg^–1). Combining the advantages of high electrochemical activity, stability, and economical effectiveness, the novel phase of α-(NiCu)₃Pd has great potential as an anode catalyst for methanol fuel cells

Synthesis of Benzimidazo[1,2‑<i>c</i>]quinazolines via Metal-Free Intramolecular C–H Amination Reaction

A series of benzimidazo­[1,2-<i>c</i>]­quinazolines have been synthesized via phenyliodine­(III) diacetate (PIDA)-mediated intramolecular C–H bond cycloamination reaction. This method results in a direct oxidative C–N bond formation in a complex molecule by using a metal-free protocol. A plausible reaction mechanism was described on the basis of the experiments. Some new compounds were evaluated for their antitumor activity against HUH 7 and SK-HEP-1 hepatocarcinoma cell line. Among the compounds screened, <b>4m</b> was found to be the most active compound against HUH 7

Simple and Green Strategy for the Synthesis of “Pathogen-Mimetic” Glycoadjuvant@AuNPs by Combination of Photoinduced RAFT and Bioinspired Dopamine Chemistry

Innate immune responses recognizing pathogen associated molecular patterns (PAMPs) play a crucial role in adaptive immunity. Toll-like receptors (TLRs) and C-type lectin receptors (CLRs) contribute to antigen capture, uptake, presentation and activation of immune responses. In this contribution, metal-free reversible addition–fragmentation chain transfer (RAFT) polymerization of <i>N</i>-3,4-dihydroxybenzenethyl methacrylamide (DMA) and 2-(methacrylamido) glucopyranose (MAG) under sunlight irradiation using 2-cyanoprop-2-yl-α-dithionaphthalate (CPDN) as iniferter agent, can be employed to fabricate the multivalent glycopolymer containing bioresponsive sugar group and multifunctional catechol functionalities. The polymerization behavior is investigated and it presents controlled features. Moreover, bioinspired dopamine chemistry can be successfully utilized to form in situ glycopolymer-coated gold nanoparticles (AuNPs) without the need of additional reducing reagent, design “pathogen-mimetic” glycoadjuvant recognized by both CLRs and TLRs. The synthetic glycoadjuvant is found to enhance the adjuvant activity as “infected signals” in vitro

Synthesis of Reusable NiCo@Pt Nanoalloys from Icosahedrons to Spheres by Element Lithography and Their Synergistic Photocatalysis for Nano-ZnO toward Dye Wastewater Degradation

The NiCo@Pt nanoallys from icosahedrons to hollow spheres are synthesized through the element lithographic process based on NiCo nanoicosahedrons. The morphology, structure, magnetic property, and its synergistic photocatalysis of nano-ZnO have been investigated by scan electron microscopy, transmission electron microscopy, X-ray diffraction analysis, energy dispersive X-ray analysis, X-ray photoelectron spectroscopy, vibration sample magnetometry measurement, and UV–vis spectroscopy. The as-prepared NiCo@Pt magnetic hollow nanospheres have the UV- and visible-light-driven synergistic photocatalysis for ZnO toward the degradation of dye wastewater. Especially the different coorporation photocatalysis can be observed under UV- and UV-filtered visible-light illumination, in which Ni₄₅Co₃₇@Pt₁₈ under UV-light and Ni₃₁Co₂₆@Pt₄₃ under visible-light exhibit the strongest enhancement for the photocatalytic reactivity of ZnO, respectively. The coercivity <i>Hc</i> and saturation magnetization <i>Ms</i> first decrease with the loss of Co displaced by Pt and then increase with the increase of Pt content, which shows the parabolic variation in which the Ni₄₀Co₃₄@Pt₂₆ are lowest

NaBa₄(GaB₄O₉)₂X₃ (X = Cl, Br) with NLO-Active GaO₄ Tetrahedral Unit: Experimental and ab Initio Studies

Two gallium borates, NaBa₄(GaB₄O₉)₂X₃ (X = Cl, Br), were synthesized by high temperature solution method. The title compounds crystallize in the same space group <i>P</i>4₂<i>nm</i>. Their structures feature a 3D [GaB₄O₉]_∞ framework composed of GaO₄ tetrahedra and B₄O₉ groups. NaBa₄(GaB₄O₉)₂X₃ (X = Cl, Br) compounds show the largest second harmonic generation responses among alkali metal and alkaline-earth metal gallium borates that are 1.5 and 1.1 times that of KH₂PO₄ (KDP), respectively, and are type I phase-matchable. Combined electronic structure and SHG density calculations as well as local dipole moment analysis have revealed that B–O groups and GaO₄ tetrahedron play major roles in SHG response

Deep-Learning-Based Drug–Target Interaction Prediction

Identifying interactions between known drugs and targets is a major challenge in drug repositioning. In silico prediction of drug–target interaction (DTI) can speed up the expensive and time-consuming experimental work by providing the most potent DTIs. In silico prediction of DTI can also provide insights about the potential drug–drug interaction and promote the exploration of drug side effects. Traditionally, the performance of DTI prediction depends heavily on the descriptors used to represent the drugs and the target proteins. In this paper, to accurately predict new DTIs between approved drugs and targets without separating the targets into different classes, we developed a deep-learning-based algorithmic framework named DeepDTIs. It first abstracts representations from raw input descriptors using unsupervised pretraining and then applies known label pairs of interaction to build a classification model. Compared with other methods, it is found that DeepDTIs reaches or outperforms other state-of-the-art methods. The DeepDTIs can be further used to predict whether a new drug targets to some existing targets or whether a new target interacts with some existing drugs