A coarse-grained simulation model for a third generation liquid crystalline dendrimer (LCDr) is presented. It allows, for the first time, for a successful molecular simulation study of a relation between the shape of a polyphilic macromolecular mesogen and the symmetry of a macroscopic phase. The model dendrimer consists of a soft central sphere and 32 grafted chains each terminated by a mesogen group. The mesogenic pair interactions are modelled by the recently proposed soft core spherocylinder model of Lintuvuori and Wilson [J. Chem. Phys, 128, 044906, (2008)]. Coarse-grained (CG) molecular dynamics (MD) simulations are performed on a melt of 100 molecules in the anisotropic-isobaric ensemble. The model LCDr shows conformational bistability, with both rod-like and disc-like conformations stable at lower temperatures. Each conformation can be induced by an external aligning field of appropriate symmetry that acts on the mesogens (uniaxial for rod-like and planar for disc-like), leading to formation of a monodomain smectic A (Sm A ) or a columnar (Col) phase, respectively. Both phases are stable for approximately the same temperature range and both exhibit a sharp transition to an isotropic cubic-like phase upon heating. We observe a very strong coupling between the conformation of the LCDr and the symmetry of a bulk phase, as suggested previously by theory. The study reveals rich potential in terms of the application of this form of CG modelling to the study of molecular self-assembly of liquid crystalline macromolecules.
Modified atmosphere packaging (MAP) technology has been commercially viable since the 1970s. Currently, MAP is extensively used worldwide to preserve the quality and extend the shelf-life of whole fresh fruits and vegetables, but is also increasingly used to extend the shelf-life of minimally processed fresh fruit and vegetables. This review discusses new processes and technologies that can be used to improve quality preservation and consumer acceptability of minimally processed produce where high respiration rates and challenging degradation processes operate. New packaging innovations are enabling producers and retailers to further maintain quality for longer. Innovative approaches to extend shelf-life include active MAP with differentially permeable films, films that incorporate antimicrobial properties, edible coatings that confer barriers properties, and the use of non-traditional gases to modify respiration. Intelligent packaging using integrated sensor technologies that can indicate maturity, ripeness, respiration rate and spoilage are also appearing. This review demonstrates that preservation technologies and associated packaging developments that can be combined with modified atmosphere are constantly evolving technology platforms. Adoption of combinations of technology improvements will be critical in responding to commercial trends towards more minimally processed fresh-cut and ready-to-eat fruit and vegetable products, which require specialized packaging solutions.
Recommended field application rates of herbicides have to give effective weed control in every situation and are, thus, often higher than that required for specific fields. An understanding of the interaction between crop:weed competition and herbicide dose may, in many cases, allow herbicide application rates to be reduced, important both environmentally and economically. We have developed a model of the interaction between crop:weed competition and herbicide dose, using an empirical model of the relationship between crop yield and weed biomass (related to weed density), and an empirical model of the relationship between weed biomass and herbicide dose. The combined model predicts crop yield, given herbicide dose and weed biomass at an interim assessment date. These crop yield loss predictions may be used to quantify the herbicide dose required to restrict yield loss to a given percentage. Parameters of the model were estimated and the model tested, using results from experiments, which used cultivated oats (Avena sativa) or oilseed rape (Brassica napus) as model weeds in a crop of winter wheat (Triticum aestivum).For the crop:weed:herbicide combinations investigated there was little increase in crop yield for herbicide dose rates above 20% of recommended field rates, in broad agreement with the model predictions. There may still be potential for further reduction below this level on economic grounds; the model could be used to estimate the `break‐even' herbicide dose.
Recent advances in postharvest technologies to extend the shelf life of blueberries (Vaccinium sp.), raspberries (Rubus idaeus L.) and blackberries (Rubus sp.
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