Metal Complexes as Antiviral Agents for SARS-CoV-2

The severe acute respiratory syndrome – coronavirus 2 (SARS-CoV-2), the infectious agent responsible for COVID-19 – has caused more than 2.5 million deaths worldwide and triggered a global pandemic. Even with successful vaccines being delivered, there is an urgent need for novel treatments to combat SARS-CoV-2, and other emerging viral diseases. While several organic small molecule drug candidates are in development, some effort has also been devoted towards the application of metal complexes as potential antiviral agents against SARS-CoV-2. Herein, the metal complexes that have been reported to show antiviral activity against SARS-CoV-2 or one of its target proteins are described and their proposed mechanisms of action are discussed.     

Rheological evaluation of the influence of polymer concentration and molar mass distribution on the formation and performance of asymmetric gas separation membranes prepared by dry phase inversion

Asymmetric gas separation membranes were prepared by the dry-casting technique from PEEKWC, a modified amorphous glassy poly(ether ether ketone). The phase inversion process and membrane performance were correlated to the properties of the polymer and the casting solution (molar mass, polymer concentration, solution rheology and thermodynamics). It was found that a broad molar mass distribution of the polymer in the casting solution is most favourable for the formation of a highly selective membrane with a dense skin and a porous sub-layer. Thus, membranes with an effective skin thickness of less than 1 μm were obtained, exhibiting a maximum O₂/N₂ selectivity of 7.2 and a CO₂/CH₄ selectivity of 39, both significantly higher than in a corresponding thick dense PEEKWC membrane and also comparable to or higher than that of the most commonly used polymers for gas separation membranes. The CO₂ and O₂ permeance were up to 9.5×10⁻³ and 1.8×10⁻³ m³/(m² h bar) (3.5 and 0.67 GPU), respectively.     

小注塑机--大业绩

加工厂家中小型注塑机越来越普遍，其给生产和单位成本所赋予的优势并非总是那么明显清晰，本文中加工厂家对使用小型机的经验作了报告。     

Homogeneous Catalysis for the Production of Fine Chemicals. Palladium- and Nickel-Catalysed Aromatic Carbon–Carbon Bond Formation

In this article we describe our recent efforts in the area of palladium- and nickel-catalysed aromatic substitution reactions. Main focus is on low cost and low waste production methods. The use of aromatic carboxylic anhydrides in the Heck reaction leads to a waste-free protocol. In addition these reactions are easy to work up as no ligands or bases are used. For Heck reactions where substrates or products do not tolerate high temperatures we found that use of a bulky phosphoramidite (13b) as ligand for palladium leads to a very fast reaction at low temperatures. Recycle of palladium in ligand-free Heck and Suzuki reactions is easily accomplished by treating the palladium black that precipitates at the end of the reaction on a carrier material with a small excess of I₂ prior to its re-use in the next run. Use of aryl chlorides in the palladium- and nickel-catalysed formation of biaryls can be accomplished by using the nickel-catalysed coupling with arylzinc chlorides. Better still, it was possible to make use of the arylgrignard and use a catalytic amount of ZnCl₂. Whereas the strength of these aromatic substitution reactions lies in their broad tolerance of functional groups, one exception was the Sonogashira reaction on 3-bromoaniline. The problem was solved by making use of in situ catalytic protection of the NH₂ group with benzaldehyde.     

Jet bundle formulation of infinite-dimensional port-Hamiltonian systems using differential operators

We consider infinite-dimensional port-Hamiltonian systems described on jet bundles. Based on a power balance relation we introduce the port-Hamiltonian system representation using differential operators regarding the structural mapping, the dissipation mapping and the input mapping. In contrast to the well-known representation on the basis of the underlying Stokes–Dirac structure our approach is not necessarily based on using energy-variables which leads to a different port-Hamiltonian representation of the analyzed partial differential equations. The presented constructions will be specialized to mechanical systems to which class also the presented examples belong.     

Evolutionary Algorithms for Quantum Computers

In this article, we formulate and study quantum analogues of randomized search heuristics, which make use of Grover search (in Proceedings of the 28th Annual ACM Symposium on Theory of Computing, pp. 212–219. ACM, New York, 1996) to accelerate the search for improved offsprings. We then specialize the above formulation to two specific search heuristics: Random Local Search and the (1+1) Evolutionary Algorithm. We call the resulting quantum versions of these search heuristics Quantum Local Search and the (1+1) Quantum Evolutionary Algorithm. We conduct a rigorous runtime analysis of these quantum search heuristics in the computation model of quantum algorithms, which, besides classical computation steps, also permits those unique to quantum computing devices. To this end, we study the six elementary pseudo-Boolean optimization problems OneMax, LeadingOnes, Discrepancy, Needle, Jump, and TinyTrap. It turns out that the advantage of the respective quantum search heuristic over its classical counterpart varies with the problem structure and ranges from no speedup at all for the problem Discrepancy to exponential speedup for the problem TinyTrap. We show that these runtime behaviors are closely linked to the probabilities of performing successful mutations in the classical algorithms.     

Effect of nonionic detergents on lipoxygenase catalysis

In many studies on lipoxygenase catalysis, nonionic detergents are used to obtain an optically transparent solution of the fatty acid substrate. In order to resolve some controversies that exist with regard to the interpretation of kinetic data obtained with solutions containing nonionic detergents, a systematic investigation was undertaken into the effects of Lubrol, Tween-20 and Triton X-100 (0–0.8 g/L) on the kinetics of linoleate (2.5–110 μM) dioxygenation, catalyzed by lipoxygenase-1 or lipoxygenase-2 from soybean, at pH 9 or 10, at 25°C. Under most conditions, it was found that the detergents slowed down the reaction. However, at high linoleate concentrations, where substrate inhibition of lipoxygenase is significant, small amounts of detergent increased the dioxygenation rate. In a quantitative analysis of the results, a kinetic model in which the incorporation of linoleate in the detergent micelles is formulated as a simple reversible equilibrium, and in which both lipoxygenase-1 and-2 interact with free linoleate, but not with linoleate incorporated in the micelles, appeared to be sufficient to predict experimental results over a wide range of experimental conditions. According to this model, the changes in the dioxygenation kinetics caused by the presence of nonionic detergents are similar (but not equal) to those caused by competitive inhibitors. The conclusions that monomeric, nonmicellar linoleate is the preferred substrate for lipoxygenase and that the observed inhibition and stimulation are solely due to changes in the effective linoleate concentration strongly corroborate the earlier observations by Galpin and Allen [Biochim. Biophys. Acta 488 (1977), 392–401].     

On the effect of treating poly(acrylic acid) with argon and tetrafluoromethane plasmas: Kinetics and degradation mechanism

Poly(acrylic acid) (PAAc) films were treated with either an argon or a tetrafluoromethane (CF₄) plasma and subsequently analyzed with X-ray photoelectron spectroscopy (XPS). PAAc films were decarboxylated during both types of plasma treatments. In addition, during the CF₄ plasma treatment, the PAAc films became fluorinated. The plasma phase during the argon plasma treatment of PAAc films was investigated with optical emission spectroscopy. It was shown that during this plasma treatment carbon dioxide, water, and possibly hydrogen were liberated from the PAAc surface. By covering the surface of PAAc films with different materials (lithium fluoride, UV fused silica, and glass) during the plasma treatment, it was possible to differentiate between photochemically induced and particle-induced changes of the surface. This method was used to show that decarboxylation during the argon plasma treatment was caused by vacuum UV radiation (wavelength < 150 nm) and the decarboxylation/fluorination during the CF₄ plasma treatment was induced by reactive fluorine-containing species from the plasma phase. Furthermore, during both processes, etching of the PAAc surface occurred. Based on these mechanisms, kinetic models were derived that could be used to describe the measured kinetic data adequately. © 1994 John Wiley & Sons, Inc.     

Aggregation behaviour of well defined amphiphilic diblock copolymers with poly(N-isopropylacrylamide) and hydrophobic blocks

Series of amphiphilic diblock copolymers with poly(N-isopropylacrylamide) as a hydrophilic block and a hydrophobic block consisting of either polystyrene or poly(tert-butyl methacrylate) were synthesised using RAFT polymerisations. Differential scanning calorimetry showed the chemically different blocks being phase separated in dry polymers. Light scattering and microcalorimetry studies were performed on aqueous solutions to investigate the phase behavior of the diblock copolymers. By carefully transferring the polymers from an organic solvent to water, either micellar particles or large aggregates were obtained depending on the relative lengths of the blocks. Large aggregates collapsed upon heating, whereas collapse occurred slowly within a broad temperature range in the case of micelle like structures. However, microcalorimetrically the collapse of the PNIPAM chains was observed to take place in all samples, suggesting that the shells of the micellar particles are crowded in a way which hinders the compression of the poly(N-isopropylacrylamide) chains.     

Bayesian estimation of Dirichlet mixture model with variational inference

In statistical modeling, parameter estimation is an essential and challengeable task. Estimation of the parameters in the Dirichlet mixture model (DMM) is analytically intractable, due to the integral expressions of the gamma function and its corresponding derivatives. We introduce a Bayesian estimation strategy to estimate the posterior distribution of the parameters in DMM. By assuming the gamma distribution as the prior to each parameter, we approximate both the prior and the posterior distribution of the parameters with a product of several mutually independent gamma distributions. The extended factorized approximation method is applied to introduce a single lower-bound to the variational objective function and an analytically tractable estimation solution is derived. Moreover, there is only one function that is maximized during iterations and, therefore, the convergence of the proposed algorithm is theoretically guaranteed. With synthesized data, the proposed method shows the advantages over the EM-based method and the previously proposed Bayesian estimation method. With two important multimedia signal processing applications, the good performance of the proposed Bayesian estimation method is demonstrated.