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排序方式: 共有246条查询结果,搜索用时 15 毫秒
51.
Bela B. Berking Georgia Poulladofonou Dimitrios Karagrigoriou Prof. Dr. Daniela A. Wilson Dr. Kevin Neumann 《Angewandte Chemie (International ed. in English)》2023,62(41):e202308971
Zwitterionic polymers are widely employed hydrophilic building blocks for antifouling coatings with numerous applications across a wide range of fields, including but not limited to biomedical science, drug delivery and nanotechnology. Zwitterionic polymers are considered as an attractive alternative to polyethylene glycol because of their biocompatibility and effectiveness to prevent formation of biofilms. To this end, zwitterionic polymers are classified in two categories, namely polybetaines and polyampholytes. Yet, despite a fundamental interest to drive the development of new antifouling materials, the chemical composition of zwitterionic polymer remains severely limited. Here, we show that poly(sulfur ylides) that belong to the largely overlooked class of poly(ylides), effectively prevent the formation of biofilms from pathogenic bacteria. While surface energy analysis reveals strong hydrogen-bond acceptor capabilities of poly(sulfur ylide), membrane damage of pathogenic bacteria induced by poly(sulfur ylides) indicates toxicity towards bacteria while not affecting eucaryotic cells. Such synergistic effect of poly(sulfur ylides) offers distinct advantages over polyethylene glycol when designing new antifouling materials. We expect that our findings will pave the way for the development of a range of ylide-based materials with antifouling properties that have yet to be explored, opening up new directions at the interface of chemistry, biology, and material science. 相似文献
52.
Daniel K. Eriksen Georgia Lazarou Amparo Galindo George Jackson Claire S. Adjiman 《Molecular physics》2016,114(18):2724-2749
ABSTRACTWe present a theoretical framework and parameterisation of intermolecular potentials for aqueous electrolyte solutions using the statistical associating fluid theory based on the Mie interaction potential (SAFT-VR Mie), coupled with the primitive, non-restricted mean-spherical approximation (MSA) for electrolytes. In common with other SAFT approaches, water is modelled as a spherical molecule with four off-centre association sites to represent the hydrogen-bonding interactions; the repulsive and dispersive interactions between the molecular cores are represented with a potential of the Mie (generalised Lennard-Jones) form. The ionic species are modelled as fully dissociated, and each ion is treated as spherical: Coulombic ion–ion interactions are included at the centre of a Mie core; the ion–water interactions are also modelled with a Mie potential without an explicit treatment of ion–dipole interaction. A Born contribution to the Helmholtz free energy of the system is included to account for the process of charging the ions in the aqueous dielectric medium. The parameterisation of the ion potential models is simplified by representing the ion–ion dispersive interaction energies with a modified version of the London theory for the unlike attractions. By combining the Shannon estimates of the size of the ionic species with the Born cavity size reported by Rashin and Honig, the parameterisation of the model is reduced to the determination of a single ion–solvent attractive interaction parameter. The resulting SAFT-VRE Mie parameter sets allow one to accurately reproduce the densities, vapour pressures, and osmotic coefficients for a broad variety of aqueous electrolyte solutions; the activity coefficients of the ions, which are not used in the parameterisation of the models, are also found to be in good agreement with the experimental data. The models are shown to be reliable beyond the molality range considered during parameter estimation. The inclusion of the Born free-energy contribution, together with appropriate estimates for the size of the ionic cavity, allows for accurate predictions of the Gibbs free energy of solvation of the ionic species considered. The solubility limits are also predicted for a number of salts; in cases where reliable reference data are available the predictions are in good agreement with experiment. 相似文献
53.
Walks on the representation graph \({\mathcal{R}_{\mathsf{V}}}\)(G) determined by a group G and a G-module V are related to the centralizer algebras of the action of G on the tensor powers \({\mathsf{V}^{\otimes k}}\) via Schur-Weyl duality. This paper explores that connection when the group is \({\mathbb{Z}^{n}_{2}}\) and the module V is chosen so the representation graph is the n-cube. We describe a basis for the centralizer algebras in terms of labeled partition diagrams. We obtain an expression for the number of walks by counting certain partitions and determine the exponential generating functions for the number of walks. 相似文献
54.
A mathematical model for the crosslinking copolymerization of a vinyl and divinyl monomer was developed and applied to the case of methyl methacrylate and ethylene glycol dimethacrylate batch polymerization. Model results compare favorably to the experimental findings of Li and Hamielec 23 for the system investigated. The model presented utilizes the numerical fractionation technique 15 and is capable of predicting a broad range of distributional properties both for pre‐ and post‐gel operating conditions as well as polymer properties that were not experimentally determined from the experimental findings of Li and Hamielec, such as crosslink density and branching frequency. The effects of divinyl monomer fraction and chain transfer agent level on the polymer properties and the dynamics of gelation were also investigated.
55.
Georgia Benkart Paul Terwilliger 《Proceedings of the American Mathematical Society》2007,135(6):1659-1668
We consider the three-point loop algebra, where denotes a field of characteristic 0 and is an indeterminate. The universal central extension of was determined by Bremner. In this note, we give a presentation for via generators and relations, which highlights a certain symmetry over the alternating group . To obtain our presentation of , we use the realization of as the tetrahedron Lie algebra.
56.
57.
Being able to bind, select, and transport species is central to a number of fields, including medicine, materials, and environmental science. In particular, recognizing a specific species from one phase and transporting it across, or into another phase, has obvious applications in environ-mental science, for example, removal of unwanted or toxic materials from an aqueous or organic phase. In this paper, we describe an approach that uses a functionalized dendritic polymer to bind and transport a small anionic molecule across an organic phase (and between two aqueous phases). The design was based on encapsulation principles borrowed from nature, where anions are bound and transported by proteins that have specific sites within their globular ordered structures. For the work reported here, a globular dendritic polymer functionalized with an isophthalamide-based receptor was used to replace the protein structure and anion-binding site. Along with control experiments, the binding and transport properties of two functionalized HBPs were assessed using a Pressman U tube experiment. Both HBPs demonstrated an enhanced ability to bind and transport anions (when compared to the anion-binding site used in isolation). Furthermore, optimum binding and transport occurred when the smaller of the two HBPs were used. This supports our previous observations regarding the existence of a dense packed limit for HBPs. 相似文献
58.
Mouchlis VD Melagraki G Mavromoustakos T Kollias G Afantitis A 《Journal of chemical information and modeling》2012,52(3):711-723
Molecular docking, classification techniques, and 3D-QSAR CoMSIA were combined in a multistep framework with the ultimate goal of identifying potent pyrimidine-urea inhibitors of TNF-α production. Using the crystal structure of p38α, all the compounds were docked into the enzyme active site. The docking pose of each compound was subsequently used in a receptor-based alignment for the generation of the CoMSIA fields. "Active" and "inactive" compounds were used to build a Random Tree classification model using the docking score and the CoMSIA fields as input parameters. Domain of applicability indicated the compounds for which activity estimations can be accepted with confidence. For the active compounds, a 3D-QSAR CoMSIA model was subsequently built to accurately estimate the IC(50) values. This novel multistep framework gives insight into the structural characteristics that affect the binding and the inhibitory activity of these analogues on p38α MAP kinase, and it can be extended to other classes of small-molecule inhibitors. In addition, the simplicity of the proposed approach provides expansion to its applicability such as in virtual screening procedures. 相似文献
59.
60.
Georgia‐Paraskevi Nikoleli Muhammad Q. Israr Nikolaos Tzamtzis Dimitrios P. Nikolelis Magnus Willander Nikolas Psaroudakis 《Electroanalysis》2012,24(6):1285-1295
The present article describes a miniaturized potentiometric urea lipid film based biosensor on graphene nanosheets. Structural characterization of graphene nanosheets for miniaturization of potentiometric urea lipid film based biosensors have been studied through atomic force microscopy (AFM) and transmission electron microscopy (TEM) measurements. UV‐Vis and Fourrier transform IR (FTIR) spectroscopy have been utilized to study the pre‐ and postconjugated surfaces of graphene nanosheets. The presented potentiometric urea biosensor exhibits good reproducibility, reusability, selectivity, rapid response times (~4 s), long shelf life and high sensitivity of ca. 70 mV/decade over the urea logarithmic concentration range from 1×10?6 M to 1×10?3 M. 相似文献