Waterborne GPR survey for estimating bottom-sediment variability: A survey on the Po River, Turin, Italy

We conducted an integrated geophysical survey on a stretch of the river Po in order to check the GPR ability to discriminate the variability of riverbed sediments through an analysis of the bottom reflection amplitudes. We conducted continuous profiles with a 200-MHzGPR system and a handheld broadband EM sensor.Aconductivity meter and a TDR provided punctual measurements of water conductivity, permittivity, and temperature. The processing and interpretation of the GEM-2 and GPR data were enhanced by reciprocal results and by integration with the punctual measurements of the EM properties of the water. We used a processing flow that improved the radargram images and preserved the amplitude ratios among the different profiles and the frequency content at the bottom reflection signal.We derived the water attenuation coefficient both from the punctual measurements using the Maxwell formulas and from the interpretation of the GPR data, finding an optimal matching between the two values. The GPR measurements provided maps of the bathymetry and of the bottom reflection amplitude. The high reflectivity of the riverbed, derived from the GPR interpretation, agreed with the results of the direct sampling campaign that followed the geophysical survey. The variability of the bottom-reflection-amplitudes map, which was not confirmed by the direct sampling, could also have been caused by scattering phenomena due to the riverbed clasts which are dimensionally comparable to the wavelength of the radar pulse

One-Pot Biocatalytic Synthesis of Primary, Secondary, and Tertiary Amines with Two Stereocenters from <i>α,β</i>-Unsaturated Ketones Using Alkyl-Ammonium Formate

[Image: see text] The efficient asymmetric catalytic synthesis of amines containing more than one stereogenic center is a current challenge. Here, we present a biocatalytic cascade that combines ene-reductases (EReds) with imine reductases/reductive aminases (IReds/RedAms) to enable the conversion of α,β-unsaturated ketones into primary, secondary, and tertiary amines containing two stereogenic centers in very high chemical purity (up to >99%), a diastereomeric ratio, and an enantiomeric ratio (up to >99.8:<0.2). Compared with previously reported strategies, our strategy could synthesize two, three, or even all four of the possible stereoisomers of the amine products while precluding the formation of side-products. Furthermore, ammonium or alkylammonium formate buffer could be used as the only additional reagent since it acted both as an amine donor and as a source of reducing equivalents. This was achieved through the implementation of an NADP-dependent formate dehydrogenase (FDH) for the in situ recycling of the NADPH coenzyme, thus leading to increased atom economy for this biocatalytic transformation. Finally, this dual-enzyme ERed/IRed cascade also exhibits a complementarity with the recently reported EneIRED enzymes for the synthesis of cyclic six-membered ring amines. The ERed/IRed method yielded trans-1,2 and cis-1,3 substituted cyclohexylamines in high optical purities, whereas the EneIRED method was reported to yield one cis-1,2 and one trans-1,3 enantiomer. As a proof of concept, when 3-methylcyclohex-2-en-1-one was converted into secondary and tertiary chiral amines with different amine donors, we could obtain all the four possible stereoisomer products. This result exemplifies the versatility of this method and its potential for future wider utilization in asymmetric synthesis by expanding the toolbox of currently available dehydrogenases via enzyme engineering and discovery

Characterization of overtopping waves on sea dikes with gentle and shallow foreshores

Due to ongoing climate change, overtopping risk is increasing. In order to have effective countermeasures, it is useful to understand overtopping processes in details. In this study overtopping flow on a dike with gentle and shallow foreshores are investigated using a non-hydrostatic wave-flow model, SWASH (an acronym of Simulating WAves till SHore). The SWASH model in 2DV (i.e., flume like configuration) is first validated using the data of long crested wave cases with second order wave generation in the physical model test conducted. After that it is used to produce overtopping flow in different wave conditions and bathymetries. The results indicated that the overtopping risk is better characterized by the time dependent h (overtopping flow depth) and u (overtopping flow velocity) instead of hmax (maximum overtopping flow depth) and umax (maximum overtopping flow velocity), which led to overestimation of the risk. The time dependent u and h are strongly influenced by the dike configuration, namely by the promenade width and the existence of a vertical wall on the promenade: the simulation shows that the vertical wall induces seaward velocity on the dike which might be an extra risk during extreme events.This research was part of the CREST (Climate REsilient CoaST) project (http://www.crestproject.be/en), funded by the Flemish Agency for Innovation by Science and Technology, grant number 150028. Corrado Altomare acknowledges funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grant agreement No.: 792370.Peer ReviewedPostprint (published version

High-Yield Synthesis of Enantiopure 1,2-Amino Alcohols from L-Phenylalanine via Linear and Divergent Enzymatic Cascades

[Image: see text] Enantiomerically pure 1,2-amino alcohols are important compounds due to their biological activities and wide applications in chemical synthesis. In this work, we present two multienzyme pathways for the conversion of l-phenylalanine into either 2-phenylglycinol or phenylethanolamine in the enantiomerically pure form. Both pathways start with the two-pot sequential four-step conversion of l-phenylalanine into styrene via subsequent deamination, decarboxylation, enantioselective epoxidation, and enantioselective hydrolysis. For instance, after optimization, the multienzyme process could convert 507 mg of l-phenylalanine into (R)-1-phenyl-1,2-diol in an overall isolated yield of 75% and >99% ee. The opposite enantiomer, (S)-1-phenyl-1,2-diol, was also obtained in a 70% yield and 98–99% ee following the same approach. At this stage, two divergent routes were developed to convert the chiral diols into either 2-phenylglycinol or phenylethanolamine. The former route consisted of a one-pot concurrent interconnected two-step cascade in which the diol intermediate was oxidized to 2-hydroxy-acetophenone by an alcohol dehydrogenase and then aminated by a transaminase to give enantiomerically pure 2-phenylglycinol. Notably, the addition of an alanine dehydrogenase enabled the connection of the two steps and made the overall process redox-self-sufficient. Thus, (S)-phenylglycinol was isolated in an 81% yield and >99.4% ee starting from ca. 100 mg of the diol intermediate. The second route consisted of a one-pot concurrent two-step cascade in which the oxidative and reductive steps were not interconnected. In this case, the diol intermediate was oxidized to either (S)- or (R)-2-hydroxy-2-phenylacetaldehyde by an alcohol oxidase and then aminated by an amine dehydrogenase to give the enantiomerically pure phenylethanolamine. The addition of a formate dehydrogenase and sodium formate was required to provide the reducing equivalents for the reductive amination step. Thus, (R)-phenylethanolamine was isolated in a 92% yield and >99.9% ee starting from ca. 100 mg of the diol intermediate. In summary, l-phenylalanine was converted into enantiomerically pure 2-phenylglycinol and phenylethanolamine in overall yields of 61% and 69%, respectively. This work exemplifies how linear and divergent enzyme cascades can enable the synthesis of high-value chiral molecules such as amino alcohols from a renewable material such as l-phenylalanine with high atom economy and improved sustainability

Elucidation of functional consequences of signalling pathway interactions

<p>Abstract</p> <p>Background</p> <p>A great deal of data has accumulated on signalling pathways. These large datasets are thought to contain much implicit information on their molecular structure, interaction and activity information, which provides a picture of intricate molecular networks believed to underlie biological functions. While tremendous advances have been made in trying to understand these systems, how information is transmitted within them is still poorly understood. This ever growing amount of data demands we adopt powerful computational techniques that will play a pivotal role in the conversion of mined data to knowledge, and in elucidating the topological and functional properties of protein - protein interactions.</p> <p>Results</p> <p>A computational framework is presented which allows for the description of embedded networks, and identification of common shared components thought to assist in the transmission of information within the systems studied. By employing the graph theories of network biology - such as degree distribution, clustering coefficient, vertex betweenness and shortest path measures - topological features of protein-protein interactions for published datasets of the p53, nuclear factor kappa B (NF-κB) and G1/S phase of the cell cycle systems were ascertained. Highly ranked nodes which in some cases were identified as connecting proteins most likely responsible for propagation of transduction signals across the networks were determined. The functional consequences of these nodes in the context of their network environment were also determined. These findings highlight the usefulness of the framework in identifying possible combination or links as targets for therapeutic responses; and put forward the idea of using retrieved knowledge on the shared components in constructing better organised and structured models of signalling networks.</p> <p>Conclusion</p> <p>It is hoped that through the data mined reconstructed signal transduction networks, well developed models of the published data can be built which in the end would guide the prediction of new targets based on the pathway's environment for further analysis. Source code is available upon request.</p

Well-Being Gender Budgets: italian local governments cases

This paper implements the methodological tools developed at regional and local governments level on gender budgets, using Sen and Nussbaum capability approach to design Well-Being Gender Budgets (WBGB). Following the methods first discussed in Addabbo, Lanzi and Picchio “On Sustainable Human Development: Gender Auditing in a Capability Approach” (2004), the framework used in this paper is an extended reproductive well-being macro approach that includes unpaid work, focuses on gender inequalities in well-being, and uses an analytical perspective which places the process of social reproduction of the population among the structural processes of the economic system and as a fundamental condition of its sustainability.The paper is divided into four sections. After the Introduction, in the first section the perspective and method of WBGB are presented. In the second, the recent experiences of WBGB adopted in Italy at provincial district and regional level are introduced and the Italian local governments institutional context is presented. In the third, a list of capabilities, based on the administrative structure of the local governments adopting the gender budget, is proposed. In fact, the structure of the different Departments (Health, Education, Transports, etc.) is seen as the result of an historical assumption of public responsibility towards specific dimensions of residents’ well-being, such as: being healthy, educated, mobile in the territory, carer of others, etc.. The context analysis is then designed to provide empirical information on a set of effective functionings that areused to assess gender inequalities in a specific well-being domain.In the fourth section, new tools (capabilities matrices) are introduced, drawn to help public policy actors to become aware of the implications of their choices on the multidimensional well-being of the women and men living in their territory. Moreover, some examples of budgeting monetary resources, taking into account well-being policy objectives are illustrated, with particular reference to the Piedmont Region and the Rome Provincial District.The results of different Italian local-government experiments in WBGB are proposed to share a different way of approaching the assessment of the gender impact of public policies and to open a discussion on their pros and cons. We think that their tools could become a key to policy integration and a basis for social participation in a public reasoning process on well-being, but they need to be discussed in a wider forum, and the possibility of their application to other countries and at different government levels also needs to be discussed

Application of Building Typologies for Modelling the Energy Balance of the Residential Building Stock

Building typologies can serve as a basis for analysing the national housing sector. During the TABULA project which was introducing or further developing building typologies in thirteen EU countries, six of the European partners have carried out model calculations which aim at imaging the energy consumption and estimating the energy saving potentials of their national residential building stocks (IWU / Germany, NOA / Greece, POLITO / Italy, VITO / Belgium, STU-K / Czech Republic, SBi / Denmark). The results show that the model calculations can provide plausible projections of the energy consumption of the national residential buildings stock. The fit of model calculations and national energy statistics is satisfactory, deviations can often be explained and corrected by adapting standard boundary conditions of the applied calculation models to more realistic values. In general, the analysis shows that building typologies can be a helpful tool for modelling the energy consumption of national building stocks and for carrying out scenario analysis beyond the TABULA project. The consideration of a set of representative buildings makes it possible to have a detailed view on various packages of measures for the complete buildings stock or for its sub-categories. The effects of different insulation measures at the respective construction elements as well as different heat supply measures including renewable energies can be considered in detail. The quality of future model calculations will depend very much on the availability of statistical data. For reliable scenario analysis information is necessary about the current state of the building stock (How many buildings and heating systems have been refurbished until now?) and about the current trends (How many buildings and heating systems are being refurbished every year?). The availability and regular update of the relevant statistical data will be an important basis for the development and evaluation of national climate protection strategies in the building secto