Charge Migration in Organic Materials: Can Propagating Charges Affect the Key Physical Quantities Controlling Their Motion?

Charge migration is a ubiquitous phenomenon with profound implications throughout many areas of chemistry, physics, biology, and materials science. The long-term vision of designing functional materials with tailored molecular-scale properties has triggered an increasing quest to identify prototypical systems where truly molecular conduction pathways play a fundamental role. Such pathways can be formed due to the molecular organization of various organic materials and are widely used to discuss electronic properties at the nanometer scale. Here, we present a computational methodology to study charge propagation in organic molecular stacks at nano and sub-nanoscales and exploit this methodology to demonstrate that moving charge carriers strongly affect the values of the physical quantities controlling their motion. The approach is also expected to find broad application in the field of charge migration in soft matter systems.     

Rheological properties of wheat flour and quality characteristics of pan bread as modified by partial additions of wheat bran or whole grain wheat flour

The use of bran and whole grain flour changes dough rheology and causes difficulties in manufacturing bakery products. The aim of this study was to analyse the influence of substituting refined wheat flour (WF) by wheat bran (WB; 5%, 10%, 20%, 30% and 40%) or whole grain wheat flour (WGWF; 10%, 20%, 30%, 40% and 50%) on dough rheological properties and pan bread quality characteristics. The addition of WB and WGWF increased water absorption and resistance to extension and decreased stability, extensibility and peak viscosity. Effects with WB were more pronounced. The presence of WB or WGWF increased crumb moisture content, firmness and hardness and decreased specific volume of pan bread. It is important to set new farinographic and extensographic standards when using WB and WGWF, allowing for a correct correlation between rheology and quality characteristics of bakery products, as the same standards used for WF are not valid.     

Development of a questionnaire to assay recalled liking for salt,sweet and fat

Liking for a sweet, salty or fatty diet may induce overconsumption of simple carbohydrates, sodium or lipids. Measuring overall liking of the corresponding sensory sensations contributes to understanding the determinants of dietary behaviours. However, no standardized validated questionnaire assaying these sensations is currently available. In the present study, we developed a web-based questionnaire, “PrefQuest”, which measures recalled liking for the following four sensations: salt, fat and salt, sweet, fat and sweet. PrefQuest included four types of items: (1) liking for sweet, fatty-sweet and fatty-salty foods, (2) preferences in the level of seasoning by adding salt, sweeteners, or fat, (3) preferences for types of dishes in a restaurant menu and (4) overall questions about sweet-, salt- and fat-related behaviours. A development study (n = 198) demonstrated that PrefQuest was feasible, well-perceived, only lasted about 20 min and that items were repeatable (overall mean intra-class correlation coefficient: 0.77, SD 0.08). Construct validity was then evaluated on a larger population sample (n = 47 803). The underlying structure within each of the four sensations was determined by exploratory factor analysis and then internally validated by confirmatory factor analysis. After a selection of the most relevant items, the salt, fat-and-salt, sweet, and fat-and-sweet scales exhibited a theoretically meaningful factor structure, unidimensional for the salt scale and with interrelated sub-dimensions for the sweet, fat-and-salt, and fat-and-sweet scales. Based on the fat-and-sweet and fat-and-salt scales, a fat model was also unveiled. For each factor, internal consistency as well as convergent and divergent validities were demonstrated. Overall, PrefQuest is an internally valid and original tool that can be used to assay recalled liking for sweet, salt, and fat considered altogether or separately as fat and salt or fat and sweet, and can be applied to large population surveys.     

Determination of alcohols and volatile organic acids in anaerobic bioreactors for H2 production by near infrared spectroscopy

In recent years, near infrared (NIR) spectroscopy has been investigated as a tool for monitoring anaerobic digesters, but several adversities in its application have been reported. This study proposes the application of NIR for the determination of alcohols and volatile organic acids from H₂ production bioreactors and evaluates different approaches to optimize the prediction models. Partial least squad (PLS) models were developed using samples from anaerobic batch reactors fed with crude glycerol for wastewater treatment. The analytes predicted were: methanol, ethanol, 1-butanol, acetic, propanoic, butyric, isocaproic and total volatile organic acids (VFA). The optimization of the predictive capacity of the models was achieved through the orthogonal signal correction (OSC) preprocessing and the selection of variables performed by the genetic algorithm (GA). The application of the proposed models were based on the following figures of merit: accuracy, precision, linearity, limits of detection and quantitation, measurement interval, sensitivity, selectivity, signal-to-noise ratio and bias. Despite the low selectivity (maximum of 0.12%), the models presented high sensitivity [γ^?1 = 0.19 (mg L^?1)^?1], low LOQ (1 mg L^?1) and correlation between reference and predicted values (r) at least 0.93, except for propanoic acid (r_pred = 0.85). The F-test revealed that the selection of variables by GA significantly improved the accuracy and linearity of the prediction models for methanol, acetic acid, isocaproic acid and VFA. NIR spectroscopy has proved to be a powerful tool for monitoring H₂ production bioreactors since provides fast, low cost and multicomponent information.     

CFD and experimental investigation of the gas–liquid flow in the distributor of a compact heat exchanger

High performance of compact heat exchangers is conditioned by correct fluid distribution. This is especially true for gas–liquid heat exchangers where a uniform distribution is particularly delicate to obtain and where maldistribution entails significant performance deterioration. Several phenomena can lead to phase distribution problems: the fins may be subject to manufacturing defects or fouling, leading to shortcuts or dead zones. But the first source of maldistribution may be a poor distribution at the outlet of the entrance distributor. This distributor aims at mixing the phases and distributing them across the channels.     

An experimental study of factors associated with driver frustration and overtaking intentions

This study examined directly the impact of various factors associated with driving on ‘A-class’ roads in the United Kingdom (specifically length of platoon, proportion of heavy goods vehicles (HGVs), speed and opportunities for overtaking) on self-reported frustration and overtaking intentions. The impact of situational variables (being under time pressure, and time behind a slower moving platoon) were also examined, as was the association between frustration and self-reported overtaking intentions. 183 members of the public from the areas around Perth and Inverness, Scotland took part in the study. Participants viewed simulated ‘driver’s viewpoint’ clips representing all the combinations of the experimental variables (except time pressure, which was a between-groups variable, and time behind platoon, which was examined separately in four specific clips). After each clip, participants responded on a paper questionnaire as to the level of frustration they would feel for a given clip, and the likelihood that at some point during the clip they would have attempted an overtake manoeuvre. The findings show that the links between traffic variables such as speed and platoon length, and behaviourally-relevant variables such as frustration and overtaking intentions, are not simple. Although there are broad and predictable effects of speed and platoon length (lower speeds and longer platoons leading to greater frustration) these are mediated by other variables, and it is not always the case that more frustration leads to more intention to overtake. Analysis of driver attitudes identified three clusters (low, medium and high risk drivers) and suggests that higher risk drivers’ levels of frustration are more affected by situational changes than those of lower risk drivers.     

The principal factors affecting construction project overhead expenses: an exploratory factor analysis approach

Estimation is the first step in the project development process. Information technology provides an efficient platform for estimators to obtain quotations and specifications for their bid estimates. However, in practice, project overhead estimation relies heavily on the professional judgement and intuition of the estimators. This reduces the overall accuracy and reliability of the bid and a better understanding of the factors affecting project overheads is fundamental before any improved estimating methods can be devised. Unfortunately, the published literature on this topic is very limited. Using exploratory factor analysis, we aim to bridge the current knowledge gap by highlighting the principal factors affecting project overheads. Questionnaires detailing 27 variables were sent to quantity surveying managers of large contractors in Hong Kong. Seventy-nine valid responses were analysed by exploratory factor analysis. From the results, eight factors were extracted with their latent properties identified with reference to the expert opinions collected from telephone interviews. The findings clarify some misconceptions about the factors affecting project overheads and provide useful evidence for practitioners and researchers to understand project overheads. Estimators who address the identified factors when assessing future project overhead costs can improve the accuracy of their cost estimates and project budgets.     

Judicial review in the New Zealand planning system: 1926–1977

This paper explores the development of the planning appeal system in New Zealand in the period from 1926 to 1977 under the first two town planning acts, in particular focusing on the judicial aspects of that process. Drawing on archival and oral history sources it traces the development of the system from one of an expert panel to an appeal board which functioned as a tribunal and increasingly blended town planning and legal considerations. It was also a system that ran on the proverbial shoestring while at the same time developing an appeals system and a cannon of decisions that influenced the development of town planning in New Zealand.