Experimental study on the buffering effects of urban trees group in dike-break floods.

The process of dike-break flood propagation in typical urban street is highly complex. The presence of buildings and trees groups in urban street profoundly alters the flood dynamics, impacting the drainage capacity of the area. In this study, a generalized sink model representing a typical urban street was established, including trees groups, buildings, sidewalks, and stormwater drainage systems. The study measured the fluctuation of water levels within the street block and the pressure variation in the pressurized stormwater drainage network during the dike-break flood propagation. Furthermore, it conducted a comparative analysis to assess the influence of different arrangements of trees groups on the maximum water depth in buildings and the discharge capacity of the pressurized stormwater drainage network. Dike-break floods give rise to large-scale water leaps and the formation of thin layer water sheets near the buildings under the influence of buildings, water tank sidewalls, and tree groups. The water leap zones exhibit lateral migration and superposition on the sidewalks during the flood propagation, gradually dissipating and disappearing in the longitudinal direction of the street. In the presence of tree groups, the water levels significantly decrease in buildings and downstream street, while the discharge capacity of the pressurized stormwater drainage network shows a slight improvement as the road's flood-carrying capacity increases. The pressure in the main pipes fluctuates due to the switching of the grate inlet drainage mode and the hydraulic transition process in the branch pipes. The research findings not only provide valuable validation data for numerical simulations but also offer theoretical guidance for urban flood management and landscape design.

Integrated modeling of 2D urban surface and 1D sewer hydrodynamic processes and flood risk assessment of people and vehicles.

In order to accurately simulate the whole urban flooding processes and assess the flood risks to people and vehicles in floodwaters, a 2D-surface and a 1D-sewer integrated hydrodynamic model was proposed in this study, with the module of flood risk assessment of people and vehicles being included. The proposed model was firstly validated by a dual-drainage laboratory experiment on the flood inundation process over a typical urban street, and the relative importance of model parameters and model uncertainties were evaluated using the GSA-GLUE method. Then the model was applied to simulate an actual urban flooding process that occurred in Glasgow, UK, with the influence of the sewer drainage system on flood inundation processes and hazard degree distributions of people and vehicles being comprehensively discussed. The following conclusions are drawn from this study: (i) The proposed model has a high degree of accuracy with the NSE values of key hydraulic variables greater than 0.8 and the GSA indicates that Manning roughness coefficients for surface and sewer flows, inlet weir and orifice discharge coefficients, are the most relevant parameters to influence the simulated results; (ii) vehicles are vulnerable to larger water depths while human stability is significantly influenced by higher flow velocities, with the overall flood risk of people being less than that of vehicles; and (iii) about 88.7% of the total inflow volume was drained to the sewer network, and the sewer drainage system greatly reduced the flood risks to people and vehicles except the local areas with large inundation water depths, where the sewer drainage increased the local flow velocity leading to higher flood risks especially for people.

Gold Redox Catalysis through Base-Initiated Diazonium Decomposition toward Alkene, Alkyne, and Allene Activation.

The discovery of photoassisted diazonium activation toward gold(I) oxidation greatly extended the scope of gold redox catalysis by avoiding the use of a strong oxidant. Some practical issues that limit the application of this new type of chemistry are the relative low efficiency (long reaction time and low conversion) and the strict reaction condition control that is necessary (degassing and inert reaction environment). Herein, an alternative photofree condition has been developed through Lewis base induced diazonium activation. With this method, an unreactive AuI catalyst was used in combination with Na2 CO3 and diazonium salts to produce a AuIII intermediate. The efficient activation of various substrates, including alkyne, alkene and allene was achieved, followed by rapid AuIII reductive elimination, which yielded the C-C coupling products with good to excellent yields. Relative to the previously reported photoactivation method, our approach offered greater efficiency and versatility through faster reaction rates and broader reaction scope. Challenging substrates such as electron rich/neutral allenes, which could not be activated under the photoinitiation conditions (<5 % yield), could be activated to subsequently yield the desired coupling products in good to excellent yield.

Gold-catalyzed oxidative cross-coupling of terminal alkynes: selective synthesis of unsymmetrical 1,3-diynes.

Gold-catalyzed oxidative cross-coupling of alkynes to unsymmetrical diynes has been achieved for the first time. A N,N-ligand (1,10-Phen) and PhI(OAc)2 were identified as crucial factors to promote this transformation, giving the desired cross-coupled conjugated diynes in excellent heteroselectivity (>10:1), in good to excellent yields, and with large substrate tolerability.

Chemoselective carbophilic addition of α-diazoesters through ligand-controlled gold catalysis.

The chemoselective addition of arenes and 1,3-diketones to α-aryldiazoesters was achieved through ligand-controlled gold catalysis. Unlike a dirhodium catalyst (which promotes C(sp3)-H insertion and cyclopropanation) and a copper catalyst (which catalyzes O-H and N-H insertions), the gold catalyst with an electron-deficient phosphite as the ancillary ligand exclusively gave the carbophilic addition product, thus representing a new and efficient approach to form "carbophilic carbocations", which selectively react with carbon nucleophiles.

Gold-catalyzed intermolecular C-S bond formation: efficient synthesis of α-substituted vinyl sulfones.

A general method for the synthesis of α-substituted vinyl sulfones makes use of a combination of a triazole gold complex and gallium triflate. This efficient CS bond formation between simple terminal alkynes and sulfinic acids provides access to various α-substituted vinyl sulfones.

Ambient gold-catalyzed O-vinylation of cyclic 1,3-diketone: A vinyl ether synthesis.

Gold-catalyzed O-vinylation of cyclic 1,3-diketones has been achieved for the first time, which provides direct access to various vinyl ethers. A catalytic amount of copper triflate was identified as the significant additive in promoting this transformation. Both aromatic and aliphatic alkynes are suitable substrates with good to excellent yields.

Docking and molecular dynamics study on the inhibitory activity of N, N-disubstituted-trifluoro-3-amino-2-propanols-based inhibitors of cholesteryl ester transfer protein.

Extensive studies suggest direct links between cholesteryl ester transfer protein (CETP), high-density lipoproteins-cholesterol level and cardiovascular diseases. Many therapeutic approaches are aimed at the CETP. A series of N, N-disubstituted-trifluoro-3-amino-2-propanol analogues are among the most highly potent and selective inhibitors of CETP described to date. For in-depth investigation into the structural and chemical features responsible for exploring the binding pocket of these compounds, as well as for the binding recognition mechanism concerned, we performed a series of automated molecular docking operations. Moreover, the docking results were quite robust as further validated by molecular dynamics. The docking results reveal that the binding site mainly consists of two hydrophobic regions (P1 and P2 site) which are able to accommodate the lipophilic arms of the compounds investigated. Val421 in P1 site and Met194 in P2 site could be considered to be two important residues in forming the two hydrophobic regions. The presence of residues Phe197 and Phe463 in P2 site may be responsible for the binding recognition through π-π stacking interactions. The hydrophobic 3-phenoxy substituent may be important in creating the preferable inhibitive capability for increasing the binding potency. The hydrophobic character of the tetrafluoroethoxybenzyl group at position 3 displays better hydrophobicity than a shorter hydrophobic substituent. An interaction model of CETP-inhibitors is derived that can be successfully used to explain the different biologic activities of these inhibitors. It is anticipated that the findings reported here may provide very useful information or clues for designing effective drugs for the therapeutic treatment of CETP-related cardiovascular diseases.