Phytochemical Characterization of Veronica officinalis L., V. teucrium L. and V. orchidea Crantz from Romania and Their Antioxidant and Antimicrobial Properties

Aerial parts of Veronica species are used in Romanian traditional medicine for the treatment of various conditions like kidney diseases, cough, and catarrh, and are known for their wound-healing properties. In the present study, the phenolic and sterolic content and the antioxidant and antimicrobial activities of three Veronica species (Plantaginaceae), V. officinalis L., V. teucrium L. and V. orchidea Crantz, were studied. The identification and quantification of several phenolic compounds and phytosterols were performed using LC/MS techniques and the main components were p-coumaric acid, ferulic acid, luteoline, hispidulin and β-sitosterol. More than that, hispidulin, eupatorin and eupatilin were detected for the first time in the Veronica genus. Nevertheless, representatives of the Veronica genus were never investigated in terms of their phytosterol content. The antioxidant potential investigated by Trolox equivelents antioxidant capacity (TEAC) and EPR spectroscopy revealed that V. officinalis and V. orchidea extracts presented similar antioxidant capacities, whilst the values registered for V. teucrium extract are lower. Regarding the antimicrobial activity of the investigated species, Staphylococcus aureus, Listeria monocytogenes and Listeria ivanovii were the most sensitive strains with MIC values between 3.9 and 15.62 mg/mL. The results obtained by this study may serve to promote better use of representatives from the genus Veronica as antioxidant and antimicrobial agents.     

Thioether Analogues of Disulfide‐Bridged Cyclic Peptides Targeting Death Receptor 5: Conformational Analysis,Dimerisation and Consequences for Receptor Activation

Cyclic peptides containing redox‐stable thioether bridges might provide a useful alternative to disulfide‐bridged bioactive peptides. We report the effect of replacing the disulfide bridge with a lanthionine linkage in a 16‐mer cyclic peptide that binds to death receptor 5 (DR5, TRAIL‐R2). Upon covalent oligomerisation, the disulfide‐bridged peptide has previously shown similar behaviour to that of TNF‐related apoptosis inducing ligand (TRAIL), by selectively triggering the DR5 cell death pathway. The structural and biological properties of the DR5‐binding peptide and its desulfurised analogue were compared. Surface plasmon resonance (SPR) data suggest that these peptides bind DR5 with comparable affinities. The same holds true for dimeric versions of these peptides: the thioether is able to induce DR5‐mediated apoptosis of BJAB lymphoma and tumorigenic BJELR cells, albeit to a slightly lower extent compared to its disulfide homologue. NMR analysis revealed subtle variation in the conformations of the two peptides and suggests that the thioether peptide is slightly less folded than its disulfide homologue. These observations could account for the different capability of the two dimers to cluster DR5 receptors on the cell surface and to trigger apoptosis. Nevertheless, our results suggest that the thioether peptide is a potential candidate for evaluation in animal models.     

A bi‐criterion optimization approach for the design and planning of hydrogen supply chains for vehicle use

In this article, we address the design of hydrogen supply chains for vehicle use with economic and environmental concerns. Given a set of available technologies to produce, store, and deliver hydrogen, the problem consists of determining the optimal design of the production‐distribution network capable of satisfying a predefined hydrogen demand. The design task is formulated as a bi‐criterion mixed‐integer linear programming (MILP) problem, which simultaneously accounts for the minimization of cost and environmental impact. The environmental impact is measured through the contribution to climate change made by the hydrogen network operation. The emissions considered in the analysis are those associated with the entire life cycle of the process, and are quantified according to the principles of Life Cycle Assessment (LCA). To expedite the search of the Pareto solutions of the problem, we introduce a bi‐level algorithm that exploits its specific structure. A case study that addresses the optimal design of the hydrogen infrastructure needed to fulfill the expected hydrogen demand in Great Britain is introduced to illustrate the capabilities of the proposed approach. © 2009 American Institute of Chemical Engineers AIChE J, 2010     

Integrated multi‐echelon supply chain design with inventories under uncertainty: MINLP models,computational strategies

We address in this article a problem that is of significance to the chemical industry, namely, the optimal design of a multi‐echelon supply chain and the associated inventory systems in the presence of uncertain customer demands. By using the guaranteed service approach to model the multi‐echelon stochastic inventory system, we develop an optimization model to simultaneously determine the transportation, inventory, and network structure of a multi‐echelon supply chain. The model is an MINLP with a nonconvex objective function including bilinear, trilinear, and square root terms. By exploiting the properties of the basic model, we reformulate this problem as a separable concave minimization program. A spatial decomposition algorithm based on the integration of Lagrangean relaxation and piecewise linear approximation is proposed to obtain near global optimal solutions with reasonable computational expense. Examples for specialty chemicals and industrial gas supply chains with up to 15 plants, 100 potential distribution centers, and 200 markets are presented. © 2009 American Institute of Chemical Engineers AIChE J, 2010     

Biosynthesis of the Myxobacterial Antibiotic Corallopyronin A

Corallopyronin A is a myxobacterial compound with potent antibacterial activity. Feeding experiments with labelled precursors resulted in the deduction of all biosynthetic building blocks for corallopyronin A and revealed an unusual feature of this metabolite: its biosynthesis from two chains, one solely PKS‐derived and the other NRPS/PKS‐derived. The starter molecule is believed to be carbonic acid or its monomethyl ester. The putative corallopyronin A biosynthetic gene cluster is a trans‐AT‐type mixed PKS/NRPS gene cluster, containing a β‐branching cassette. Striking features of this gene cluster are a NRPS‐like adenylation domain that is part of a PKS‐type module and is believed to be responsible for glycine incorporation, as well as split modules with individual domains occurring on different genes. It is suggested that CorB is a trans‐acting ketosynthase and it is proposed that it catalyses the Claisen condensation responsible for the interconnection of the two chains. Additionally, the stereochemistry of corallopyronin A was deduced by a combination of a modified Mosher's method and ozonolysis with subsequent chiral GC analyses.     

生物燃料工厂的能源与水资源的优化(英文)

In this paper we address the topic of energy and water optimization in the production of bioethanol from corn and switchgrass. We show that in order for these manufacturing processes to be attractive, there is a need to go beyond traditional heat integration and water recycling techniques. Thus, we propose a strategy based on mathematical programming techniques to model and optimize the structure of the processes, and perform heat integration including the use of multi-effect distillation columns and integrated water networks to show that the energy efficiency and water consumption in bioethanol plants can be significantly improved. Specifically, under some circumstances energy can even be produced and the water consumption can be reduced below the values required for the production of gasoline.     

Natural convection at an indoor glazing surface with different window blinds

In the present study, an empirical model to determinate the convective heat loss, at an indoor glazing surface, is proposed. This model allows calculating the convective heat transfer coefficient and the air flow rate entering to the window cavity formed between the glazing surface and the protection device. The window blind is first studied experimentally by using a rigid paper, which is installed at four different distances from the window frame. This configuration is used as reference to determinate a global model, which is mainly composed of two correlations: one for the Nusselt number and other one for the air mass flow rate incoming to the window cavity. Then, more realistic configurations are tested: single curtains, double curtains, PVC blinds, wood blinds, Venetian blinds or polyester blinds. In general, heat transfer coefficients for these configurations are equal or higher than that obtained with a free plate. Several correlations are proposed for each configuration.     

Structure-activity relationship study of 16 a-thiocamptothecins: an integrated in vitro and in silico approach

The instability of the hydroxylactone E ring represents a critical drawback of camptothecins, because the lactone ring is recognized to be essential for stabilization of topoisomerase I‐mediated DNA cleavage. In an attempt to investigate the effect of the thiopyridone pharmacophofore on the molecular and pharmacological features of the drug, we prepared a series of novel 16 a‐thiocamptothecin analogues. Due to the sulfur atom, a destabilization of the hydrogen bond between the hydroxy group in position 17 of the opened E ring and the carbonyl of the pyridone moiety is predicted, thus shifting the equilibrium toward the closed lactone form and increasing the lipophilic properties of the compounds. This feature was associated with superior antiproliferative potency, with reduced interaction with the human serum albumin and with substantial increase of the persistence of the topoisomerase I–DNA cleavable complex. These effects were prominent for thio‐SN38, the most active compound of the series. The favorable interactions at the molecular and cellular level of the reported thiocamptothecins confer promising features, and these compounds warrant preclinical development.     

SWAM: A logic-based mobile agent programming language for the Semantic Web

Once a big repository of static data, the Web has been gradually evolved into a worldwide network of information and services known as the Semantic Web. This environment allows programs to autonomously interact with Web-accessible information and services. In this sense, mobile agent technology could help in efficiently exploiting this relatively new Web in a fully automated way, since Semantic Web resources are described in a computer-understandable way. In this paper, we present SWAM, a platform for building and deploying Prolog-based intelligent mobile agents on the Semantic Web. The article also reports examples and experimental results in order to illustrate as well as to assess the benefits of SWAM.