Effect of intermolecular dipole-dipole interactions on interfacial supramolecular structures of C3-symmetric hexa-peri-hexabenzocoronene derivatives

Two-dimensional (2D) supramolecular assemblies of a series of novel C(3)-symmetric hexa-peri-hexabenzocoronene (HBC) derivatives bearing different substituents adsorbed on highly oriented pyrolytic graphite were studied by using scanning tunneling microscopy at a solid-liquid interface. It was found that the intermolecular dipole-dipole interactions play a critical role in controlling the interfacial supramolecular assembly of these C(3)-symmetric HBC derivatives at the solid-liquid interface. The HBC molecule bearing three -CF(3) groups could form 2D honeycomb structures because of antiparallel dipole-dipole interactions, whereas HBC molecules bearing three -CN or -NO(2) groups could form hexagonal superstructures because of a special trimeric arrangement induced by dipole-dipole interactions and weak hydrogen bonding interactions ([C-H···NC-] or [C-H···O(2)N-]). Molecular mechanics and dynamics simulations were performed to reveal the physics behind the 2D structures as well as detailed functional group interactions. This work provides an example of how intermolecular dipole-dipole interactions could enable fine control over the self-assembly of disklike π-conjugated molecules.     

Global existence of solutions to a magnetohydrodynamic‐omega model

In this paper, some sufficient conditions in terms of the magnetic field are established to guarantee global existence of solutions to a magnetohydrodynamic‐omega model.     

Enhanced Bone Defect Repair by Polymeric Substitute Fillers of MultiArm Polyethylene Glycol‐Crosslinked Hyaluronic Acid Hydrogels

Bone regeneration is still one of the greatest challenges for the treatment of bone defects since no current clinical approach has been proven effective. To develop an alternative biodegradable bone graft material, multiarm polyethylene glycol (PEG) crosslinked hyaluronic acid (HA) hydrogels are synthesized and applied to promote osteogenesis of mesenchymal stem cells (MSCs) with the ultimate goal for bone defect repair. The multiarm PEG‐HA hydrogels provide a significant improvement of alkaline phosphatase (ALP) activity and calcium mineralization of the in vitro encapsulated MSCs under osteogenic condition after 3, 7, and 28 days. In addition, the multiarm PEG‐HA hydrogels also facilitate healing of the cranial bone defects more effectively in a Sprague Dawley rat model after 10 weeks of implantation based on histological evaluations and microcomputed tomography analysis. These promising results set the stage for the development of innovative biodegradable hydrogels to provide a more effective and versatile treatment option for bone regeneration.     

孔隙介质中稠油流体非线性渗流方程

为揭示稠油流体在油藏孔隙中渗流特性,基于力学平衡方程,建立了描述稠油流体渗流特征的非线性渗流方程,对油藏孔隙中稠油渗流过程及启动机理进行了深入分析,着重分析了边界层、流体屈服应力以及表面力对渗流过程的影响.结果表明,Hagen-Poiseuille定律需经修正方能描述稠油流体流动,边界层、流体屈服应力以及表面力对稠油渗流影响非常显著.孔隙中,稠油启动压力梯度来源于其屈服应力、表面力,边界层加剧了渗流非线性程度,实际稠油油藏开发中,要充分掌握稠油渗流非线性特征.      

Synthesis of functionalized tetracene dicarboxylic imides

For the first time, a synthesis of tetracene dicarboxylic imides was established with 1,2,3,4-tetrahydrotetracene (1) instead of tetracene as the starting material. Mono-bromination of 1 by CuBr₂ followed by a Friedel-Crafts reaction, oxidation, and imidization gave the tetrahydrotetracene carboxylic imides 5a-b. Subsequent oxidative dehydrogenation of 5a-b with DDQ afforded the functional tetracene dicarboxylic imide monobromides 6a-b, which can be further functionalized to provide functional materials such as the ‘donor-acceptor’ type compounds 7a-b.     

Regularity criteria for the Navier-Stokes-Landau-Lifshitz system

In this paper, we study regularity criteria for the Navier-Stokes-Landau-Lifshitz system. Using delicate estimates, the regularity criteria for smooth solution of Navier-Stokes-Landau-Lifshitz system in Besov spaces and the multiplier spaces are obtained. The Navier-Stokes-Landau-Lifshitz system is coupled system of the Navier-Stokes equation and Landau-Lifshitz system, our results generalize the related results for Navier-Stokes equation and Landau-Lifshitz system to our system.     

引黄入晋输水长隧洞若干工程地质问题

耗资百亿之巨的国家重点工程──万家寨引黄入晋工程以其规模宏大、技术复杂而驰名。本文在对工程概况进行扼要介绍的基础上，重点概述了输水隧洞工程中存在的几个主要工程地质问题及所应采取的工程对策，并从工程地质角度论证了兴建该工程的可行性。     

Spontaneous Switching between Permeability Enhancement and Degradation in Fractures in Carbonate: Lumped Parameter Representation of Mechanically- and Chemically-Mediated Dissolution

Principal mechanical and chemical processes contributing to the observed spontaneous switching from net decrease in permeability to net increase in a fracture in carbonate are examined. The evolution of permeability, and related fracture aperture, is represented through a lumped parameter model. The significant processes of pressure solution beneath bridging asperities, transport of dissolved mass to the fracture void, and subsequent precipitation or dissolution within the fracture void enable the principal characteristics of observed behavior to be followed. The evolution of dissolved mass concentration in the pore fluid is followed for arbitrary applied stress, temperature, and pH conditions, with appropriate feedback to the evolution of fracture permeability. Comparisons with experimental measurements in limestone (Polak et al., 2004, Water Resour. Res. Vol. 40, W03502, doi: 10.1029/2003GL017575) show satisfactory agreement for the evolution of fracture aperture and to a lesser degree in calcium concentrations in the effluent pore fluid. Importantly, the spontaneous switching in permeability change, from aperture reducing to aperture increasing, with no change in environmental conditions, is replicated without the need for an ad hoc trigger. Although this switch is accurately replicated, the lumped parameter model is incapable of replicating the rapid observed growth in permeability that directly follows. This inability results from the assumed form of the lumped asperity model, that is incapable of representing the spatially distributed change in aperture that is seen to occur within the fracture. Despite this inconsistency, the model is shown capable of representing the principal behaviors evident in the response.     

Quinoidal Oligo(9,10‐anthryl)s with Chain‐Length‐Dependent Ground States: A Balance between Aromatic Stabilization and Steric Strain Release

Quinoidal π‐conjugated polycyclic hydrocarbons have attracted intensive research interest due to their unique optical/electronic properties and possible magnetic activity, which arises from a thermally excited triplet state. However, there is still lack of fundamental understanding on the factors that determine the electronic ground states. Herein, by using quinoidal oligo(9,10‐anthryl)s, it is demonstrated that both aromatic stabilisation and steric strain release play balanced roles in determining the ground states. Oligomers with up to four anthryl units were synthesised and their ground states were investigated by electronic absorption and electron spin resonance (ESR) spectroscopy, assisted by density functional theory (DFT) calculations. The quinoidal 9,10‐anthryl dimer 1 has a closed‐shell ground state, whereas the tri‐ ( 2 ) and tetramers ( 3 ) both have an open‐shell diradical ground state with a small singlet–triplet gap. Such a difference results from competition between two driving forces: the large steric repulsion between the anthryl/phenyl units in the closed‐shell quinoidal form that drives the molecule to a flexible open‐shell diradical structure, and aromatic stabilisation due to the gain of more aromatic sextet rings in the closed‐shell form, which drives the molecule towards a contorted quinoidal structure. The ground states of these oligomers thus depend on the overall balance between these two driving forces and show chain‐length dependence.