Energy Band Alignment and Redox-Active Sites in Metalloporphyrin-Spaced Metal-Catechol Frameworks for Enhanced CO2 Photoreduction

Two new chemically stable metalloporphyrin-bridged metal-catechol frameworks, InTCP-Co and FeTCP-Co, were constructed to achieve artificial photosynthesis without additional sacrificial agents and photosensitizers. The CO₂ photoreduction rate over FeTCP-Co considerably exceeds that obtained over InTCP-Co, and the incorporation of uncoordinated hydroxyl groups, associated with catechol, into the network further promotes the photocatalytic activity. The iron-oxo coordination chain assists energy band alignment and provides a redox-active site, and the uncoordinated hydroxyl group contributes to the visible-light absorptance, charge-carrier transfer, and CO₂-scaffold affinity. With a formic acid selectivity of 97.8 %, FeTCP-OH-Co affords CO₂ photoconversion with a reaction rate 4.3 and 15.7 times higher than those of FeTCP- Co and InTCP-Co, respectively. These findings are also consistent with the spectroscopic study and DFT calculation.     

Promotion Effect of Gold on Mo/ZSM-5 Catalyst for the Catalytic Cracking of Light Diesel Oil to Increase Propylene Production

Kinetics and Catalysis - Using a modified deposition-precipitation method, a series of Au–Mo/ZSM-5 catalysts with different Au loadings were prepared. The XRD, nitrogen adsorption-desorption,...     

Quantitative Investigation on Structural Evolution of Co-continuous Phase under Shear Flow

Components of co-continuous phase can form an interpenetrating network structure, which has great potential to synergistically improve the mechanical properties of the blends, and to impart the functional blends superior electrical conductivity and permeability. In this work, the effects of shear rates (50–5000 s^?1) at different temperatures on the phase morphology, phase size and lamellar crystallites of biodegradable co-continuous polybutylene terephthalate (PBAT)/polybutylene succinate (PBS) blend are quantitatively investigated. The results show that the above features of the PBAT/PBS have a strong dependence on the shear flow and thermal field. The co-continuous phase of the blend is well maintained at 130 °C. Interestingly, this phase structure transforms into a “sea-island” structure at 160 °C, which gradually recovers to a co-continuous phase when the shear rate increases from 1000 s^?1 to 5000 s^?1. The phase size decreases with the increase of shear rate both at 130 °C and 160 °C due to the refinement and deformation of phase structures caused by strong shear stress. Unexpectedly, a unique phenomenon is observed that the shear-induced lamellar crystallites are oriented perpendicular to shear direction in the range of 500–5000 s^?1 at 130 °C, while the orientation of lamellar crystallites at 160 °C is along the shear direction within the whole range of shear rates. The degree of orientation for the PBAT/PBS blend crystals increases first and then decreases at both temperatures above. In addition, the range of shear rate has reached the level in the industrial processing. Therefore, this work has important guiding significance for the regulation of the co-continuous phase structure and the performance for the blend in the practical processing.

     

On the force field optimisation of $$\beta$$ β -lactam cores using the force field Toolkit

Journal of Computer-Aided Molecular Design - When employing molecular dynamics (MD) simulations for computer-aided drug design, the quality of the used force fields is highly important. Here we...     

The Varied Frustrated Lewis Pair Reactivity of the Germylene Phosphaketene (CH{(CMe)(2,6-iPr2C6H3N)}2)GePCO

The germylene species (CH{(CMe)(2,6-iPr₂C₆H₃N)}₂)GePCO 1 is shown to react with the Lewis acids (E(C₆F₅)₃ E=B, Al). Nonetheless, 1 participates in FLP chemistry with electron deficient alkynes or olefins, acting as an intramolecular FLP. In contrast, in the presence of B(C₆F₅)₃ and an electron rich alkyne, 1 behaves as Ge-based nucleophile to effect intermolecular FLP addition to the alkyne. This reactivity demonstrates that the reaction pathway is controlled by the nature of the electrophile and nucleophile generated in solution, as revealed by extensive DFT calculations.     

The Radical Anion,Dianion and Electron Transport Properties of Tetraiodotetraazapentacene

Tetraiodotetraazapentacene I₄TAP , the last missing derivative in the series of halogenated silylated tetraazapentacenes, was synthesized via condensation chemistry from a TIPS-ethynylated diaminobenzothiadiazol in three steps. Single and double reduction furnished its air-stable monoanion and relatively air-stable dianion, both of which were characterized by crystallography. All three species are structurally and spectroscopically compared to non-halogenated TAP and Br₄TAP . I₄TAP is an n-channel material in thin-film transistors with average electron mobilities exceeding 1 cm² (Vs)⁻¹.     

固相纳米孔对核酸组装的“免标记、均相”表征和应用探索

随着核酸自组装领域的飞速发展,除了作为遗传信息的载体外,核酸成为了一种具有高操作自由度和无限可能性的功能材料.基于核酸自组装原理的DNA纳米技术凭借其强大的可编辑性已经广泛应用于生物传感、纳米材料工程、医学诊疗以及分子计算机等领域.纳米孔作为一种新兴的单分子分析技术具有高分辨、高通量、免标记等特点,近年来在基因测序、分子物理化学性质分析等领域展示出了极大的应用潜力.作为一种新型高分辨表征技术,纳米孔已经在DNA纳米技术研究中崭露头角,被用于原位追踪和分析核酸分子的自组装行为.另一方面,DNA纳米技术也为纳米孔传感所面临的技术瓶颈提供了更多样化的解决思路,如借助功能核酸(Aptamer或DNAzyme)和无酶扩增核酸分子线路实现纳米孔对待测物的特异性增敏检测.本专论旨在通过对近期纳米孔技术与核酸自组装的跨领域研究成果进行系统性回顾,总结并展望纳米孔传感领域内核酸自组装的研究进展,以期为单分子生物分析、信息检索、基因分型和临床诊断等领域提供新思路和新方法.     

Correction to: Derived from Diaryl-λ3-Iodane-Containing Polyoxometalate: Iodine-Doped Molybdenum Carbide for Efficient Electrocatalytic Hydrogen Evolution

Journal of Cluster Science -     

Synthesis,Crystal Structure,and DFT Study of N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanesulfonamide

Russian Journal of General Chemistry - N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanesulfonamide has been synthesized by the Miyaura borylation and sulfonylation reactions, and its...     

Effect of coral powder and ground-granulated blast‑furnace slag on the hydration behavior of cement paste

Journal of Thermal Analysis and Calorimetry - Coral wastes are produced during the construction of island. The use of coral wastes in concrete is beneficial to economy and environment. Coral waste...