Double Mutant Cycles as a Tool to Address Folding,Binding, and Allostery

Quantitative measurement of intramolecular and intermolecular interactions in protein structure is an elusive task, not easy to address experimentally. The phenomenon denoted ‘energetic coupling’ describes short- and long-range interactions between two residues in a protein system. A powerful method to identify and quantitatively characterize long-range interactions and allosteric networks in proteins or protein–ligand complexes is called double-mutant cycles analysis. In this review we describe the thermodynamic principles and basic equations that underlie the double mutant cycle methodology, its fields of application and latest employments, and caveats and pitfalls that the experimentalists must consider. In particular, we show how double mutant cycles can be a powerful tool to investigate allosteric mechanisms in protein binding reactions as well as elusive states in protein folding pathways.     

Sustainable control strategies for plant protection and food packaging sectors by natural substances and novel nanotechnological approaches

An overview is provided of the current technological strategies (also at the nanoscale level) recently involved in plant and/or food protection. In addition, the potential use of natural and sustainable substances, instead of traditional synthesized molecules or chemical-based compounds, is addressed both with respect to packaging systems and novel pesticide formulations. In this context, nanotechnological approaches represent promising strategies for the entire agriculture industry chain, from the field to consumers. Traditional plant protection strategies are often insufficient and the application of chemical-based pesticides has negative effects on animals, humans and the environment. Novel greener tools could represent efficient alternatives for the management of plant diseases using promising strategies; the use of nanotechnologies allows the promotion of the more efficient assembly and subsequent release of environmentally sustainable active principles, limiting the use of chemicals in terms of economic losses. At the same time, new sustainable, antimicrobial and antioxidant systems have been rapidly promoted and investigated in the food packaging sector as a valid eco-friendly possibility for improving the safety and quality of food products and reducing and/or limiting the environmental impact with respect to traditional materials. Together, the scientific community and the growing interest of consumers have promoted the development of new edible and eco-friendly packaging that reduces waste and any environmental impact. In this context, the aim is to provide evidence of the usefulness of strategies aiming to limit agrochemicals, as well as the potential of nanomaterials, in sustainable plant and food protection for agriculture management and the packaging sector. © 2018 Society of Chemical Industry     

Hydrogen production by silica membrane reactor during dehydrogenation of methylcyclohexane: CFD analysis

A comprehensive computational fluid dynamic model has been developed using COMSOL Multiphysics 5.4 software to predict the behavior of a membrane reactor in dehydrogenation of methylcyclohexane for hydrogen production. A reliable reaction kinetic of dehydrogenation reaction and a permeation mechanism of hydrogen through silica membrane have been used in computational fluid dynamic modeling. For performance comparison, an equivalent traditional fixed bed reactor without hydrogen removal has been also modeled. After model validation, it has been used to evaluate the operating parameters effect on the performance of both the silica membrane reactor and the equivalent traditional reactor as well. The operating temperature ranged between 473 and 553 K, pressure between 1 and 2.5 bar, sweep factor from ?6.22 to 25 and feed flow rate from 1 to 5 × 10^?6 mol/s. The membrane reactor performed better than the equivalent traditional reactor, achieving as best result complete methylcyclohexane conversion and 96% hydrogen recovery.     

Optimization of Mixing and Mass Transfer in In-line Multi-Jet Ozone Contactors Using Computational Fluid Dynamics

Typical ozone mixing and mass transfer calculations are lumped approaches based on ideal operating conditions and can misrepresent behavior in real-life installations. This article models the effect of local hydrodynamics and mixing on the overall mass transfer of ozone into water with the aid of multiphase computational fluid dynamics (CFD). CFD models were validated with measured data from a pipeline ozone contactor installation which was optimized for more rapid, uniform mixing and mass transfer. Results emphasize the sensitivity of mixing quality to nozzle placement, size, orientation and spacing relative to main pipeline diameter and flows.     

Advances on methane steam reforming to produce hydrogen through membrane reactors technology: A review

Methane steam reforming is the most common industrial process used for almost the 50% of the world’s hydrogen production. Commonly, this reaction is performed in fixed bed reactors and several stages are needed for separating hydrogen with the desired purity. The membrane reactors represent a valid alternative to the fixed bed reactors, by combining the reforming reaction for producing hydrogen and its separation in only one stage. This article deals with the recent progress on methane steam reforming reaction, giving a short overview on catalysts utilization as well as on the fundamentals of membrane reactors, also summarizing the relevant advancements in this field.     

New filtrate loss controller based on poly(methyl methacrylate‐co‐vinyl acetate)

The drilling of petroleum wells requires the use of suitable drilling fluids to ensure efficient operation without causing rock damage. Specific polymers have been used to control infiltration during drilling, to reduce operational problems. In this study, spherical microparticles of poly(methyl methacrylate‐co‐vinyl acetate) were synthesized (by suspension polymerization), characterized, and evaluated in terms of their performance in controlling filtrate loss of aqueous fluids. A filter press test with ceramic disk, simulating the rock, was used. The performance of the synthesized materials was compared with commercial polymers. It was observed that the performance of the material is directly associated with the relation between particle size and pore size of the rock specimen. Furthermore, for a suitable particle size, the rubbery characteristic of the material produces a more efficient filter cake, for filtrate control. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014 , 131, 40646.     

Revisitation of Formaldehyde Aniline Condensation. VII. 1,3,5-Triarylhexahydro-sym-triazines and 1,3,5,7-Tetraaryl-1,3,5,7-tetrazocines from Aromatic Amines and Paraformaldehyde

A product study of the reaction between a number of aromatic amines substituted with widely different groups and paraformaldehyde in inert solvents was performed and found to yield 1,3,5-triaryl-1,3,5-hexahydrotriazines, 1,3,5,7-tetraaryl-1,3,5,7-tetrazocines and formaminals. It was not possible to correlate the product outcomes with the actual structure of the amine substrate. The X-ray diffraction structural determination of 1,3,5-tri-(t-butylphenyl)-( 1b ) and 1,3,5-tri-(m-fluorophenyl)-1,3,5-hexahydrotriazine ( 1c ) showed the diaxial arrangement of the N-substituents.