Multi-scale approaches to Food Sciences: computational QM and MM explorations at the microscopic level

L'obiettivo principale della politica di sicurezza alimentare è quello di garantire la salute dei consumatori attraverso regole e protocolli di sicurezza specifici. Al fine di rispondere ai requisiti di sicurezza alimentare e standardizzazione della qualità, nel 2002 il Parlamento Europeo e il Consiglio dell'UE (Regolamento (CE) 178/2002 (CE, 2002)), hanno cercato di uniformare concetti, principi e procedure in modo da fornire una base comune in materia di disciplina degli alimenti e mangimi provenienti da Stati membri a livello comunitario. La formalizzazione di regole e protocolli di standardizzazione dovrebbe però passare attraverso una più dettagliata e accurata comprensione ed armonizzazione delle proprietà globali (macroscopiche), pseudo-locali (mesoscopiche), ed eventualmente, locali (microscopiche) dei prodotti alimentari. L'obiettivo principale di questa tesi di dottorato è di illustrare come le tecniche computazionali possano rappresentare un valido supporto per l'analisi e ciò tramite (i) l’applicazione di protocolli e (ii) miglioramento delle tecniche ampiamente applicate. Una dimostrazione diretta delle potenzialità già offerte dagli approcci computazionali viene offerta nel primo lavoro in cui un virtual screening basato su docking è stato applicato al fine di valutare la preliminare xeno-androgenicità di alcuni contaminanti alimentari. Il secondo e terzo lavoro riguardano lo sviluppo e la convalida di nuovi descrittori chimico-fisici in un contesto 3D-QSAR. Denominata HyPhar (Hydrophobic Pharmacophore), la nuova metodologia così messa a punto è stata usata per esplorare il tema della selettività tra bersagli molecolari strutturalmente correlati e ha così dimostrato di possedere i necessari requisiti di applicabilità e adattabilità in un contesto alimentare. Nel complesso, i risultati ci permettono di essere fiduciosi nel potenziale impatto che le tecniche in silico potranno avere nella identificazione e chiarificazione di eventi molecolari implicati negli aspetti tossicologici e nutrizionali degli alimenti.

Motivations to deposit:two approaches to Open Educational Resources (OER) within Languages and Social Sciences (LSS) at Aston University

In Spring 2009, the School of Languages and Social Sciences (LSS) at Aston University responded to a JISC (Joint Information Systems Committee) and Higher Education Academy (HEA) call for partners in Open Educational Resources (OER) projects. This led to participation in not one, but two different OER projects from within one small School of the University. This paper will share, from this unusual position, the experience of our English tutors, who participated in the HumBox Project, led by Languages, Linguistics and Area Studies (LLAS) and will compare the approach taken with the Sociology partnership in the C-SAP OER Project , led by the Centre for Sociology, Anthropology and Politics (C-SAP). These two HEA Subject Centre-led projects have taken different approaches to the challenges of encouraging tutors to deposit teaching resources, as on ongoing process, for others to openly access, download and re-purpose. As the projects draw to a close, findings will be discussed, in relation to the JISC OER call, with an emphasis on examining the language and discourses from the two collaborations to see where there are shared issues and outcomes, or different subject specific concerns to consider.

Gender and subject in higher education

This thesis is concerned with the issue of gender inequality in higher education. It examines the relationship between gender and subject specialisation, looking in particular at the reasons for the predominance, at undergraduate level, of men in the physical sciences, and of women in the humanities. It investigates ideas of `masculinity' and `femininity' and how these relate to constructions of `science' and `arts'. The thesis argues that students choose which subject to study on the basis of certain qualities these subjects are seen to hold, and that these qualities have close connections with beliefs about `masculinity' and `femininity'. It examines this through an interview study of male and female students on six higher education courses: two university courses of physics, two university courses of English, a polytechnic course in communications and a polytechnic course in physical science. The interview study demonstrates that the science subjects are perceived by science students as more certain, more useful and more important than the humanities, and emphasise the value of their degree in gaining a well-paid and important job. Female science students, however, experience conflict between being `a good scientist' and being `feminine'. English and communications students emphasise the breadth, uncertainty and individuality of their subjects, and find science restrictive and narrow. They make little link between their degree and their future career. Men, however, feel no conflict between their identity as men and their chosen subject. It is argued that there is a close link between the construction of masculinity and the construction of physical science, but that English and communications are more ambivalent: in some senses `masculine', in some `feminine'. Men are advantaged in these subjects because of their greater visibility and assertiveness. The thesis concludes that the division between `science' and `arts' reinforces ideas of masculinity and femininity, and argues that female `failure' in education is in part the result of higher education's inability to transcend that division.

Essential ingredients of imaging: The fMRI Experience II, 11–12 May 2000, Weston Education Centre, Kings College Hospital, Denmark Hill, London, UK

Conference review

Age-related macular degeneration patients' awareness of nutritional factors

Age-related macular degeneration (AMD) is the leading cause of visual impairment in older adults in the United Kingdom. This study sought to characterise AMD patients who seek the services of the Macular Society, and determine the level and source of their dietary knowledge. A questionnaire was designed, validated, and administered to 158 participants. The questions covered demographic data and knowledge of nutrition and supplementation. The mean age of participants was 79 years; 61% of them were female, and 27% were registered visually impaired. Only 55% of the participants thought diet was important for eye health, 63% felt that they had not received enough information about AMD. The participants reported that their information mainly came from non-professional support groups. Most participants identified healthy food, but could not say why, and were not able to identify carotenoid rich foods. The results of the study will inform design of education and dissemination methods regarding dietary information. © The Author(s) 2014.

Exploring attitudes towards dietary modification and nutritional supplementation in people with and without age-related macular degeneration

Age-related macular degeneration (AMD) is the leading cause for visual impairment and blindness registration in the developed world. Due to the large amounts of conflicting AMD research on the role of nutrition and antioxidant intake, it is difficult for patients and practitioners to determine which measures can be taken to slow down the disease progression. The aim of this research was to determine the beliefs and knowledge that patients with AMD have about nutrition, to identify whether their condition is preventing them from eating a healthy diet, and to discover what their diet consists of. For the initial study, 158 participants with AMD (mean age 79 ± 7.8 years) and 50 participants without AMD (mean age 67 ± 8 years) were recruited from the Macular Society helpline, or from optometric practice. Participants had a 25 minute telephone interview where a 36-question survey was completed. The survey elicited demographic information, and questions covered the knowledge that participants had on nutrition and their current diet. The results from this survey uncovered three major findings: 1) 100% of AMD participants felt that they do not have enough information and support from eye-care practitioners regarding nutrition, 2) AMD patients are confused over, and display a lack of knowledge of, which foods are beneficial for eye health and when and what nutritional supplements to take, evidenced by 65% of participants not taking the correct dosage 3) AMD patients are not eating enough nutrients that would be beneficial for their condition - consuming an average of 1.4mg of lutein and zeaxanthin rather than the recommended 10mg. A clinical decision-making aid was created as an intervention based upon these findings. The aim of the aid was to help eye-care practitioners give the correct nutritional advice to their patients. Founded on the AREDS 2 inclusion and exclusion criteria, practitioners are able to identify which patients could benefit from a nutritional supplement, and which patients could benefit from dietary modification. An evaluation of the aid with 72 qualified eye-care practitioners exhibited a statistically significant increase in confidence after using the aid for two weeks. An evaluation using 51 student optometrists showed a statistically significant increase in confidence and a statistically significant increase in appropriate management of patients after using the aid. This project has elicited findings that are significant for AMD patient education. It is hoped that through these studies, patients will receive consistent advice about the risk factors for AMD, the link between AMD and nutrition, and the importance of maintaining a healthy, well-balanced diet.

Dietary analysis and nutritional behaviour in people with and without age-related macular disease

Background and Aims: Consumption of antioxidant nutrients can reduce the risk of progression of age-related macular degeneration (AMD) - the leading cause of visual impairment in adults over the age of 50 years in the UK. Lutein and zeaxanthin (L&Z) are of particular interest because they are selectively absorbed by the central retina. The objectives of this study were to analyse the dietary intake of a group of AMD patients, assess their ability to prepare and cook healthy food, and to make comparisons with people not affected by AMD. Methods: 158 participants with AMD were recruited via the UK charity The Macular Society, and fifty participants without AMD were recruited from optometric practice. A telephone interview was conducted by trained workers where participants completed a 24 hour food diary, and answered questions about cooking and shopping capabilities. Results: In the AMD group, the average L&Z intake was low in for both males and females. Those able to cook a hot meal consumed significantly more L&Z than those who were not able. Most participants were not consuming the recommended dietary allowance of fibre, calcium, vitamin D and E, and calorific intake was also lower than recommendations for their age-group. The non-AMD group consumed more kilocalories and more nutrients than the AMD group, but the L&Z intake was similar to those with AMD. The main factor that influenced participant’s food choices was personal preference. Conclusion: For an ‘informed’ population, many AMD participants were under-consuming nutrients considered to be useful for their condition. Participants without AMD were more likely to reach recommended daily allowance values for energy and a range of nutrients. It is therefore essential to design more effective dietary education and dissemination methods for people with, and at risk of, AMD.

Education in Computer Science and the Role of the Teacher in the Environment of Open Educational Resources

Report published in the Proceedings of the National Conference on "Education in the Information Society", Plovdiv, May, 2013

Virtual Environments as an Education Tool for Digital Natives

Report published in the Proceedings of the National Conference on "Education in the Information Society", Plovdiv, May, 2013

Financial Education Through Mathematics and IT Curricula: Pocket Money Management

Report published in the Proceedings of the National Conference on "Education in the Information Society", Plovdiv, May, 2013

The Future of the Next-Generation Internet and Possible Applications into Education and Culture Heritage

There are several initiatives such as: US Ignite, Software Defined Networking (SDN), OpenFlow, Global Environment for Network Innovation (GENI), WiMAX and Internet 2 dealing with the future of the internet. The goal of the paper is to understand the goals, intricacies, and nuances of some of these techniques and show some of the possibilities of next-generation high-speed networking and their applications into education and culture heritage.