Forensic analysis of buildings affected by mining subsidence based on Differential Interferometry (Part III)

This work presents a forensic analysis of buildings affected by mining subsidence, which is based on deformation data obtained by Differential Interferometry (DInSAR). The proposed test site is La Union village (Murcia, SE Spain) where subsidence was triggered in an industrial area due to the collapse of abandoned underground mining labours occurred in 1998. In the first part of this work the study area was introduced, describing the spatial and temporal evolution of ground subsidence, through the elaboration of a cracks map on the buildings located within the affected area. In the second part, the evolution of the most significant cracks found in the most damaged buildings was monitored using biaxial extensometric units and inclinometers. This article describes the work performed in the third part, where DInSAR processing of satellite radar data, available between 1998 and 2008, has permitted to determine the spatial and temporal evolution of the deformation of all the buildings of the study area in a period when no continuous in situ instrumental data is available. Additionally, the comparison of these results with the forensic data gathered in the 2005–2008 period, reveal that there is a coincidence between damaged buildings, buildings where extensometers register significant movements of cracks, and buildings deformation estimated from radar data. As a result, it has been demonstrated that the integration of DInSAR data into forensic analysis methodologies contributes to improve significantly the assessment of the damages of buildings affected by mining subsidence.

Polymer-supported l-prolinol-based catalysts for the enantioselective addition of dialkylzinc reagents to N-(diphenylphosphinyl)imines

l-Prolinol-based ligands anchored to Merrifield or Wang-type resins have been shown to form efficient catalysts for the enantioselective addition of dialkylzinc reagents to N-(diphenylphosphinyl)imines. The enantioselectivity achieved with the polymeric catalyst (ee up to 88%) is slightly lower than the one obtained with the homogeneous ligand N-benzyl-l-prolinol, but the polymer-supported ligand presents the advantage of its recyclability: it can be recovered and used in up to six consecutive catalytic cycles with only a slight decrease in the enantiomeric excess. The phosphinamides obtained as addition products can be transformed into the corresponding enantiomerically enriched α-branched primary amines under mild acidic conditions.

Ventilated Stone Veneer: Mechanical Behaviour, Calculation Methodologies, Major Pathologies and Existing Tests

The increase of building pathologies related to the use of stone materials and the use of ventilated stone veneers, requires the reformulation of design concepts in building façades and also the reformulation of the architectural project. The aim of this paper is to identify, analyze and evaluate synthetically building pathologies in stone ventilated façades in order to obtain the main technical conditions to be considered in the architectural design, by interpreting its mechanical behavior and capabilities to prevent such pathologies and to ensure the proper features during the building lifetime. The methodology is based on both laboratory stone tests and in situ tests about construction systems, by analyzing physical and mechanical behavior of the outer layer in relation to other building requirements. The results imply the need of proper sizing, specific quality control and practical application of calculation methods, to control high concentration pressures in ventilated façades by reaching appropriate project solutions. In conclusion, the research about different pathologies of stone ventilated façades, the study of their mechanical behavior, their anchorage and their connection with their constructive aspects, will help to improve the construction quality of the stone ventilated façade in buildings and to enhance the use of natural stone in modern architecture.

New hybrid materials based on the grafting of Pd(II)-amino complexes on the graphitic surface of AC: preparation, structures and catalytic properties

A novel procedure for the preparation of solid Pd(II)-based catalysts consisting of the anchorage of designed Pd(II)-complexes on an activated carbon (AC) surface is reported. Two molecules of the Ar–S–F type (where Ar is a plane-pyrimidine moiety, F a Pd(II)-ligand and S an aliphatic linker) differing in F, were grafted on AC by π–π stacking of the Ar moiety and the graphene planes of the AC, thus favouring the retaining of the metal-complexing ability of F. Adsorption of Pd(II) by the AC/Ar–S–F hybrids occurs via Pd(II)-complexation by F. After deep characterization, the catalytic activities of the AC/Ar–S–F/Pd(II) hybrids on the hydrogenation of 1-octene in methanol as a catalytic test were evaluated. 100% conversion to n-octane at T = 323.1 K and P = 15 bar, was obtained with both catalysts and most of Pd(II) was reduced to Pd(0) nanoparticles, which remained on the AC surface. Reusing the catalysts in three additional cycles reveals that the catalyst bearing the F ligand with a larger Pd-complexing ability showed no loss of activity (100% conversion to n-octane) which is assigned to its larger structural stability. The catalyst with the weaker F ligand underwent a progressive loss of activity (from 100% to 79% in four cycles), due to the constant aggregation of the Pd(0) nanoparticles. Milder conditions, T = 303.1 K and P = 1.5 bar, prevent the aggregation of the Pd(0) nanoparticles in this catalyst allowing the retention of the high catalytic efficiency (100% conversion) in four reaction cycles.

Improving drug discovery using a neural networks based parallel scoring function

Virtual Screening (VS) methods can considerably aid clinical research, predicting how ligands interact with drug targets. Most VS methods suppose a unique binding site for the target, but it has been demonstrated that diverse ligands interact with unrelated parts of the target and many VS methods do not take into account this relevant fact. This problem is circumvented by a novel VS methodology named BINDSURF that scans the whole protein surface to find new hotspots, where ligands might potentially interact with, and which is implemented in massively parallel Graphics Processing Units, allowing fast processing of large ligand databases. BINDSURF can thus be used in drug discovery, drug design, drug repurposing and therefore helps considerably in clinical research. However, the accuracy of most VS methods is constrained by limitations in the scoring function that describes biomolecular interactions, and even nowadays these uncertainties are not completely understood. In order to solve this problem, we propose a novel approach where neural networks are trained with databases of known active (drugs) and inactive compounds, and later used to improve VS predictions.