Activation of hydrogen storage materials in the Li–Mg–N–H system: Effect on storage properties

We investigate the thermodynamics, kinetics, and capacity of the hydrogen storage reaction: Li₂Mg(NH)₂ + 2H₂  Mg(NH₂)₂ + 2LiH. Starting with LiNH₂ and MgH₂, two distinct procedures have been previously proposed for activating samples to induce the reversible storage reaction. We clarify here the impact of these two activation procedures on the resulting capacity for the Li–Mg–N–H reaction. Additionally, we measure the temperature-dependent kinetic absorption data for this hydrogen storage system. Finally, our experiments confirm the previously reported formation enthalpy (ΔH), hydrogen capacity, and pressure–composition–isotherm (PCI) data, and suggest that this system represents a kinetically (but not thermodynamically) limited system for vehicular on-board storage applications.     

Structural Investigation and Molecular Modeling Studies of Strobilurin-Based Fungicides Active against the Rice Blast Pathogen Pyricularia oryzae

The increasing emergence of fungicide-resistant pathogens requires urgent solutions for crop disease management. Here, we describe a structural investigation of new fungicides obtained by combining strobilurin and succinate dehydrogenase inhibitor pharmacophores. We identified compounds endowed with very good activity against wild-type Pyricularia oryzae, combined in some cases with promising activity against strobilurin-resistant strains. The first three-dimensional model of P. oryzae cytochrome bc1 complex containing azoxystrobin as a ligand was developed. The model was validated with a set of commercially available strobilurins, and it well explains both the resistance mechanism to strobilurins mediated by the mutation G143A and the activity of metyltetraprole against strobilurin-resistant strains. The obtained results shed light on the key recognition determinants of strobilurin-like derivatives in the cytochrome bc1 active site and will guide the further rational design of new fungicides able to overcome resistance caused by G143A mutation in the rice blast pathogen.     

Advances in Applying Computer-Aided Drug Design for Neurodegenerative Diseases

Neurodegenerative diseases (NDs) including Alzheimer’s disease, Parkinson’s disease, amyotrophic lateral sclerosis, and Huntington’s disease are incurable and affect millions of people worldwide. The development of treatments for this unmet clinical need is a major global research challenge. Computer-aided drug design (CADD) methods minimize the huge number of ligands that could be screened in biological assays, reducing the cost, time, and effort required to develop new drugs. In this review, we provide an introduction to CADD and examine the progress in applying CADD and other molecular docking studies to NDs. We provide an updated overview of potential therapeutic targets for various NDs and discuss some of the advantages and disadvantages of these tools.     

Molecular Mechanisms of Fetal Tendon Regeneration Versus Adult Fibrous Repair

Tendinopathies are painful, disabling conditions that afflict 25% of the adult human population. Filling an unmet need for realistic large-animal models, we here present an ovine model of tendon injury for the comparative study of adult scarring repair and fetal regeneration. Complete regeneration of the fetal tendon within 28 days is demonstrated, while adult tendon defects remained macroscopically and histologically evident five months post-injury. In addition to a comprehensive histological assessment, proteome analyses of secretomes were performed. Confirming histological data, a specific and pronounced inflammation accompanied by activation of neutrophils in adult tendon defects was observed, corroborated by the significant up-regulation of pro-inflammatory factors, neutrophil attracting chemokines, the release of potentially tissue-damaging antimicrobial and extracellular matrix-degrading enzymes, and a response to oxidative stress. In contrast, secreted proteins of injured fetal tendons included proteins initiating the resolution of inflammation or promoting functional extracellular matrix production. These results demonstrate the power and relevance of our novel ovine fetal tendon regeneration model, which thus promises to accelerate research in the field. First insights from the model already support our molecular understanding of successful fetal tendon healing processes and may guide improved therapeutic strategies.     

Selective Complexation and Membrane Transport of Guanidinium Salts by Calix[6]arene Amides

The p-tert-butylcalix[6]arene hexamide 2 and syn-1,3,5–trimethoxy-2,4,6-triamide 4 were synthesized by reaction of α-chloro-N,N-diethylacetamide and the corresponding calix[6]arenes 1 and 3 , respectively. ¹H NMR spectroscopy shows that 2 is a mixture of different conformations whereas 4 is fixed in a cone conformation. Extraction experiments, (S-L) and (H₂O–CDCl₃) with picrate salts, indicate that 2 complexes both alkali metal (1:2 complex) and guanidinium salts (1:1 complex) but 4 complexes only guanidinium (1:1 complex). Incorporated in supported liquid membranes (Accurel^® / o-nitrophenyl n-octyl ether) the calixarenes 2 and 4 transport guanidinium salts. The hexamide 2 is a more efficient carrier of guanidinium but the syn-1,3,5-trimethoxy-2,4,6-triamide 4 is much more selective. Both 2 and 4 are sufficiently lipophilic to give membranes that are stable over longer periods (weeks).     

A low-cost real time virtual system for postural stability assessment at home

Background and objective

The degeneration of the balance control system in the elderly and in many pathologies requires measuring the equilibrium conditions very often. In clinical practice, equilibrium control is commonly evaluated by using a force platform (stabilometric platform) in a clinical environment.In this paper, we demonstrate how a simple movement analysis system, based on a 3D video camera and a 3D real time model reconstruction of the human body, can be used to collect information usually recorded by a physical stabilometric platform.

Methods

The algorithm used to reconstruct the human body model as a set of spheres is described and discussed. Moreover, experimental measurements and comparisons with data collected by a physical stabilometric platform are also reported. The measurements were collected on a set of 6 healthy subjects to whom a change in equilibrium condition was stimulated by performing an equilibrium task.

Results

The experimental results showed that more than 95% of data collected by the proposed method were not significantly different from those collected by the classic platform, thus confirming the usefulness of the proposed system.

Conclusions

The proposed virtual balance assessment system can be implemented at low cost (about 500$) and, for this reason, can be considered a home use medical device. On the contrary, astabilometric platform has a cost of about 10,000$ and requires periodical calibration. The proposed system does not require periodical calibration, as is necessary for stabilometric force platforms, and it is easy to use. In future, the proposed system with little integration can be used, besides being an emulator of a stabilometric platform, also to recognize and track, in real time, head, legs, arms and trunk, that is to collect information actually obtained by sophisticated optoelectronic systems.     

Abnormal behavior detection using dominant sets

Smart surveillance systems are increasingly being used to detect potentially dangerous situations. To do so, the common and easier way is to model normal human behaviors and consider as abnormal any new strange behavior in the scene. In this article, Dominant Sets is adapted to model most frequent behaviors and to detect any unknown event to trigger an alarm. It is proved that after an unsupervised training, Dominant Sets can robustly detect abnormal behaviors. The method is tested in several different cases and compared to other usual clusterization methods such as KNN, mixture of Gaussians or Fuzzy \(K\) -Means to confirm its robustness and performance. The overall performance of abnormal behavior detection based on Dominant Sets is better, being the error ratio at least \(1.5\) points lower than the others.     

Good Enough is Good Enough: Overcoming Disaster Response Organizations’ Slow Social Media Data Adoption

Organizations that respond to disasters hold unreasonable standards for data arising from technology-enabled citizen contributions. This has strong negative potential for the ability of these responding organizations to incorporate these data into appropriate decision points. We argue that the landscape of the use of social media data in crisis response is varied, with pockets of use and acceptance among organizations. In this paper we present findings from interviews conducted with representatives from large international disaster response organizations concerning their use of social media data in crisis response. We found that emergency responders already operate with less than reliable, or “good enough,” information in offline practice, and that social media data are useful to responders, but only in specific crisis situations. Also, responders do use social media, but only within their known community and extended network. This shows that trust first begins with people and not data. Lastly, we demonstrate the barriers used by responding organizations have gone beyond discussions of trustworthiness and data quality to that of more operational issues.     

Synthesis, fabrication and characterization of poly[3-3′(vinylcarbazole)] (PVK) Langmuir-Schaefer films

Poly[3-3′(vinylcarbazole)] (PVK) was synthetized with N-vinylcarbazole as monomer by oxidative polymerization with ferric chloride. The resulting polymer was then deposited on various solid supports by using Langmuir-Schaefer (LS) method. The pressure-area isotherm of PVK revealed the possibility of compact monolayer formation at air-water interface. Different layers of PVK were doped with iodine vapours. Both scanning probe microscopy and optical microscopy images indicated a good uniformity of the films. The morphology and the thickness of PVK films were investigated using atomic force microscopy. The voltammetric investigation of I₂ doped PVK showed a distinctive electrochemical behaviour. The photoinduced charge transfer across a donor/acceptor (D/A) hybrid interface provided an effective method to study the photoelectrochemical properties of the composite LS films.