Adding value and meaning to coheating tests

Purpose: The coheating test is the standard method of measuring the heat loss coefficient of a building, but to be useful the test requires careful and thoughtful execution. Testing should take place in the context of additional investigations in order to achieve a good understanding of the building and a qualitative and (if possible) quantitative understanding of the reasons for any performance shortfall. The paper aims to discuss these issues. Design/methodology/approach: Leeds Metropolitan University has more than 20 years of experience in coheating testing. This experience is drawn upon to discuss practical factors which can affect the outcome, together with supporting tests and investigations which are often necessary in order to fully understand the results. Findings: If testing is approached using coheating as part of a suite of investigations, a much deeper understanding of the test building results. In some cases it is possible to identify and quantify the contributions of different factors which result in an overall performance shortfall. Practical implications: Although it is not practicable to use a fully investigative approach for large scale routine quality assurance, it is extremely useful for purposes such as validating other testing procedures, in-depth study of prototypes or detailed investigations where problems are known to exist. Social implications: Successful building performance testing is a vital tool to achieve energy saving targets. Originality/value: The approach discussed clarifies some of the technical pitfalls which may be encountered in the execution of coheating tests and points to ways in which the maximum value can be extracted from the test period, leading to a meaningful analysis of the building's overall thermal performance

Structure optimization in an off-lattice protein model

We study an off-lattice protein toy model with two species of monomers interacting through modified Lennard-Jones interactions. Low energy configurations are optimized using the pruned-enriched-Rosenbluth method (PERM), hitherto employed to native state searches only for off lattice models. For 2 dimensions we found states with lower energy than previously proposed putative ground states, for all chain lengths $\ge 13$. This indicates that PERM has the potential to produce native states also for more realistic protein models. For $d=3$, where no published ground states exist, we present some putative lowest energy states for future comparison with other methods.Comment: 4 pages, 2 figure

A methodology for creating building energy model occupancy schedules using personal location metadata

Occupants affect energy consumption in buildings by contributing internal heat gains, increasing internal carbon dioxide levels and adapting their behaviour. Estimated occupancy schedules are used in building energy models for regulatory compliance purposes and when empirical data are not available. Metadata, such as personal location data, is now collected and visualised on a global scale and can be used to create more realistic occupancy schedules for non-domestic facilities, such as large retail outlets. This paper describes a protocol for extracting and using freely available metadata to create occupancy schedules that are used as inputs for dynamic simulation models. A sample set of twenty supermarket building models are used to demonstrate the impact metadata schedules have when compared with models using the estimated schedules from regulatory compliance. Metadata can be used to create bespoke occupancy profiles for specific buildings, groups of buildings and building archetypes. This method could also help reduce the gap between predicted and actual performance. In the example models, those using the regulatory compliance schedules underestimated heating demand by approximately 10% and overestimated cooling demand by over 50% when compared to models using the metadata schedules. Although this work focuses on UK facilities, this methodology has scope for global application

Investigating how researcher-defined buffers and self-drawn neighbourhoods capture adolescent availability to physical activity facilities and greenspaces: An exploratory study

Background Modifying the environment is considered an effective population-level approach for increasing healthy behaviours, but associations remain ambiguous. This exploratory study aims to compare researcher-defined buffers and self-drawn neighbourhoods (SDN) to objectively measured availability of physical activity (PA) facilities and greenspaces in adolescents. Methods Seven consecutive days of GPS data were collected in an adolescent sample of 14–18 year olds (n = 69). Using Points of Interest and greenspace data, availability of PA opportunities within activity spaces were determined. We compared 30 different definitions of researcher-defined neighbourhoods and SDNs to objectively measured availability. Results :Findings showed low agreement for all researcher-defined buffers in measuring the availability of PA facilities in activity spaces. However, results were less clear for greenspace. SDNs also demonstrate low agreement for capturing availability to the PA environment. Conclusion This exploratory study highlights the inadequacy of researcher-defined buffers and SDNs to define availability to environmental features

Investigating where adolescents engage in moderate to vigorous physical activity and sedentary behaviour: An exploratory study.

Background There is a persistent lack of understanding on the influence of the environment on behaviour and health. While the environment is considered an important modifiable determinant of health behaviour, past research assessing environments often relies on static, researcher-defined buffers of arbitrary distance. This likely leads to misrepresentation of true environmental exposures. This exploratory study aims to compare researcher-defined and self-drawn buffers in reflecting the spaces and time adolescents engage in physical activity (PA) and sedentary behaviour. It also investigates if adolescent’s access the PA facility and greenspace nearest their home or school for PA, as well as examine how much time adolescents spent in PA at any PA facilities and greenspaces. Methods Adolescents (aged 14–18 years; n = 34) were recruited from schools in West Yorkshire, England. Seven consecutive days of global positioning system (GPS) and accelerometer data were collected at 15 second intervals. Using ArcGIS, we compared 30 different researcher-defined buffers including: radial, network and ellipse buffers at 400m, 800m, 1000m, 1600m and 3000m and participant-defined self-drawn neighbourhoods to objectively measured PA and sedentary space and PA time. Location of PA was also compared to Points of Interest data to determine if adolescents use the nearest PA facility or greenspace to their home or school and to examine how much PA was undertaken within these locations. Results Our exploratory findings show the inadequacy of researcher-defined buffer size in assessing MVPA space or sedentary space. Furthermore, less than 35% of adolescents used the greenspaces or PA facilities nearest to their home or school. Approximately 50% of time spent in PA did not occur within the home, school, PA facility, or greenspace environments. Conclusion Our exploratory findings help to begin to quantify the inadequacy of researcher-defined, and self-drawn buffers in capturing adolescent MVPA and sedentary space, as well as time spent in PA. Adolescents often do not use PA facilities and greenspaces nearest their home and school and a large proportion of PA is achieved outside PA facilities and greenspaces. Further research with larger samples are needed to confirm the findings of this exploratory study

A practical Java tool for small-molecule compound appraisal

The increased use of small-molecule compound screening by new users from a variety of different academic backgrounds calls for adequate software to administer, appraise, analyse and exchange information obtained from screening experiments. While software and spreadsheet solutions exist, there is a need for software that can be easily deployed and is convenient to use.The Java application cApp addresses this need and aids in the handling and storage of information on small-molecule compounds. The software is intended for the appraisal of compounds with respect to their physico-chemical properties, analysis in relation to adherence to likeness rules as well as recognition of pan-assay interference components and cross-linking with identical entries in the PubChem Compound Database. Results are displayed in a tabular form in a graphical interface, but can also be written in an HTML or PDF format. The output of data in ASCII format allows for further processing of data using other suitable programs. Other features include similarity searches against user-provided compound libraries and the PubChem Compound Database, as well as compound clustering based on a MaxMin algorithm.cApp is a personal database solution for small-molecule compounds which can handle all major chemical formats. Being a standalone software, it has no other dependency than the Java virtual machine and is thus conveniently deployed. It streamlines the analysis of molecules with respect to physico-chemical properties and drug discovery criteria; cApp is distributed under the GNU Affero General Public License version 3 and available from http://www.structuralchemistry.org/pcsb/. To download cApp, users will be asked for their name, institution and email address. A detailed manual can also be downloaded from this site, and online tutorials are available at http://www.structuralchemistry.org/pcsb/capp.php

Assessing the equity and effectiveness of the GB energy price caps using smart meter data

© 2018 Elsevier Ltd Keeping homes at a comfortable temperature and reducing household fuel bills are priorities for many governments. In the UK, several interventions have been implemented to achieve these objectives. This paper investigates one such policy lever - the Energy Price Cap - to understand if it has been designed and implemented efficiently and equitably. The price cap was introduced for customers on prepayment meters to combat increased levels of fuel poverty and a lack of competition in this group. However, the price cap was based on several assumptions of how energy is used. In this work, we assess how well the price cap accounts for real energy use using smart meter data. Households on economy 7 (EC7) tariffs were found to spend more than those on standard rate tariffs, as EC7 customers use more electricity during peak hours than assumed in government calculations. Additionally, many of the EC7 customers in this sample still use a considerable amount of gas, suggesting the EC7 heating product is either not sufficient, or is not being utilised in a cost-effective manner. Revisions to the input assumptions in government models for EC7 customers would therefore be beneficial in future price cap levels

ArachnoServer 2.0, an updated online resource for spider toxin sequences and structures

ArachnoServer (www.arachnoserver.org) is a manually curated database providing information on the sequence, structure and biological activity of protein toxins from spider venoms. These proteins are of interest to a wide range of biologists due to their diverse applications in medicine, neuroscience, pharmacology, drug discovery and agriculture. ArachnoServer currently manages 1078 protein sequences, 759 nucleic acid sequences and 56 protein structures. Key features of ArachnoServer include a molecular target ontology designed specifically for venom toxins, current and historic taxonomic information and a powerful advanced search interface. The following significant improvements have been implemented in version 2.0: (i) the average and monoisotopic molecular masses of both the reduced and oxidized form of each mature toxin are provided; (ii) the advanced search feature now enables searches on the basis of toxin mass, external database accession numbers and publication date in ArachnoServer; (iii) toxins can now be browsed on the basis of their phyletic specificity; (iv) rapid BLAST searches based on the mature toxin sequence can be performed directly from the toxin card; (v) private silos can be requested from research groups engaged in venoms-based research, enabling them to easily manage and securely store data during the process of toxin discovery; and (vi) a detailed user manual is now available