Matter Timed

At best, the ageing of materials is regarded as lending a patina to historic buildings. In reality, however, materials often age disgracefully and unevenly, requiring a high level of maintenance and refurbishment. What if materials could be engineered and integrated into buildings not only to enhance but to heal? Martina Decker , Assistant Professor in the College of Architecture and Design at the New Jersey Institute of Technology (NJIT), looks at pioneering research that is being undertaken into performative, time-dependent materials.     

Lake extent changes in Basotu,Tanzania: a mixed-methods approach to understanding the impacts of anthropogenic influence and climate variability

Incompatible land use is a major contributor to ecosystem degradation, and is often exacerbated by climate change impacts. We investigate Lake Basotu, Tanzania as a case study where natural lake variability has been affected by agricultural land use. Comparisons between a satellite-derived history of lake surface area, local precipitation records, and corresponding anthropogenic activity show the impacts of agricultural and historical practices. We argue that insufficient consideration to the wider ecological impacts of large agricultural projects has lasting implications. This is particularly true in semi-arid environments where food production demands need to be continuously met. In the future, major conservation strategies should be investigated to maintain the environmental integrity and sustainability of freshwater resources.     

Preceramic polymer‐derived SiOC fibers by electrospinning

Silicon oxycarbide (SiOC) fibers with different chemical compositions were successfully fabricated by electrospinning a mixture of polyvinylpyrrolidone (PVP) and commercially available polymethylsilsesquioxane (MK) or polymethylphenylsilsesquioxane (H44) preceramic polymers, followed by cross‐linking and pyrolysis at 1000°C in Argon. The influence of the processing procedure (solvent selection, cross‐linking catalyst and additives) on the morphology of the produced fibers was investigated. For the MK/isopropanol system, the introduction of 20 vol% N,N‐dimethylformamide (DMF) enabled to decrease the diameter of the as‐spun fibers from 2.72 ± 0.12 μm to 1.65 ± 0.09 μm. For the H44/DMF systems, beads‐free fibers were obtained by adding 50 vol% choloroform. After pyrolysis, the resultant SiOC fibers derived from MK and H44 resins possessed uniform morphology, with an average diameter of 0.97 ± 0.07 μm and 1.07 ± 0.08 μm, respectively. Due to their different chemical compositions, the MK‐derived and H44‐derived SiOC ceramic fibers could find different potential applications. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014 , 131, 39836.     

How Different Characterization Techniques Elucidate the Nature of the Gold Species in a Polycrystalline Au/TiO2 Catalyst

TiO₂‐supported gold species were prepared via the deposition‐precipitation route, with conservation of the initial speciation by freeze‐drying. The structural and electronic properties of the Au species were investigated by X‐ray absorption spectroscopy, electron microscopy, and IR spectroscopy of adsorbed CO in four states. Exclusively Au^III was deposited on the TiO₂ surface in patches ranging from isolated Au ions to three‐dimensional clusters. This paper illustrates in detail the unique contributions of all characterization techniques to this structural model.     

Functional mesoporous poly(ionic liquid)-based copolymer monoliths: From synthesis to catalysis and microporous carbon production

Ionic liquid-functionalized mesoporous polymeric networks with specific surface area up to 935 m²/g have been successfully synthesized one pot by solvothermal copolymerization of divinylbenzene and monomeric ionic liquids. The as-obtained polymers exhibit a monolithic structure featuring large pore volumes, an abundant mesoporosity and an adjustable content of ionic liquids. The effect of the reaction conditions on the pore structure has been studied in detail. These poly(ionic liquid)-based porous networks (PILPNs) have then been employed as precursors in two distinct applications, namely organocatalysis and production of microporous carbon monoliths. Selected organocatalyzed reactions, including carbonatation of propylene oxide by cycloaddition with carbon dioxide, benzoin condensation, and cyanosilylation of benzaldehyde have been readily triggered by PILPNs acting as crosslinked polymer-supported (pre)catalysts. The two latter reactions required the prior deprotonation of the imidazolium salt units with a strong base to successfully generate polymer-supported N-heterocyclic carbenes, referred to as poly(NHC)s. Facile recycling and reuse of polymer-supported (pre)catalysts was achieved by simple filtration owing to the heterogeneous reaction conditions. Furthermore, PILPNs could be easily converted into microporous carbon monoliths via CO₂ activation.     

Integrodifferential approach to solution of eddy currents in linear structures with motion

A nonstandard integrodifferential approach to computation of eddy currents in linear structures with motion is presented. Described is a general continuous 3D model of the problem, together with the possibilities of forming corresponding numerical schemes. The methodology is illustrated by two examples.     

Hierarchical virtual screening for the discovery of new molecular scaffolds in antibacterial hit identification

One of the initial steps of modern drug discovery is the identification of small organic molecules able to inhibit a target macromolecule of therapeutic interest. A small proportion of these hits are further developed into lead compounds, which in turn may ultimately lead to a marketed drug. A commonly used screening protocol used for this task is high-throughput screening (HTS). However, the performance of HTS against antibacterial targets has generally been unsatisfactory, with high costs and low rates of hit identification. Here, we present a novel computational methodology that is able to identify a high proportion of structurally diverse inhibitors by searching unusually large molecular databases in a time-, cost- and resource-efficient manner. This virtual screening methodology was tested prospectively on two versions of an antibacterial target (type II dehydroquinase from Mycobacterium tuberculosis and Streptomyces coelicolor), for which HTS has not provided satisfactory results and consequently practically all known inhibitors are derivatives of the same core scaffold. Overall, our protocols identified 100 new inhibitors, with calculated K_i ranging from 4 to 250 μM (confirmed hit rates are 60% and 62% against each version of the target). Most importantly, over 50 new active molecular scaffolds were discovered that underscore the benefits that a wide application of prospectively validated in silico screening tools is likely to bring to antibacterial hit identification.     

Peptide fingerprint of high quality Campania white wines by MALDI-TOF mass spectrometry

Food traceability is essential to preserve the identity of unique quality traits against frauds or commercial disputes. Therefore, there is a growing demand of new traceability systems for the collection of information related to units/batches of food ingredients and products.     

Multimorphing: A tool for shape synthesis and analysis

Morphing is a shape transformation where the shape of one object is deformed to the shape of the other object. It is used as an animation or a modeling technique. Classical morphing operates between two input objects but this concept can be extended to multiple input objects – the so called multimorphing. Shapes generated by the multimorphing form a space of shapes motivated by an affine space. Besides the analogy with an affine space we also introduce an inner product and a concept of an orthogonal projection. We also show how to explore space of shapes and how to systematically generate new shapes. The paper focuses on the boundary representation, although some ideas are more general and can be used for other representations, too.