Not what anyone wanted: Observations on regulations, standards, quality and experience in the wake of Grenfell

While many factors will have contributed to the catastrophe at Grenfell Tower, it is clear that the structure itself behaved in a way that no one could possibly have intended. In this article the authors sample the bewildering and sometimes apparently contradictory directions provided by building regulations, and review how fire safety precautions, while seeming adequate on paper, can be undermined on contact with observed on-site practice

Identification of diverse database subsets using property-based and fragment-based molecular descriptions

This paper reports a comparison of calculated molecular properties and of 2D fragment bit-strings when used for the selection of structurally diverse subsets of a file of 44295 compounds. MaxMin dissimilarity-based selection and k-means cluster-based selection are used to select subsets containing between 1% and 20% of the file. Investigation of the numbers of bioactive molecules in the selected subsets suggest: that the MaxMin subsets are noticeably superior to the k-means subsets; that the property-based descriptors are marginally superior to the fragment-based descriptors; and that both approaches are noticeably superior to random selection

Aspects économiques de la production de parquet massif de chêne vert

La faisabilité économique de la fabrication de parquet en chêne vert, essence très abondante sur le pourtour méditerranéen, a été analysée par le Cirad-Forêt. Le prix de revient global de la transformation a été calculé en se référant à une opération exp

Reporting corporate sustainability and the challenges of political rhetoric

Where organisations set out their sustainable values and make publically available their sustainable strategy, the rhetoric establishes an agenda against which, should deviation occur, the company can be publically held to account. As a result of recent scandals, it is not surprising that some people remain cautious or even cynical with regard to corporate sustainability, especially where it is found that the actual practices of an organisation are different to that reported. The research provides a review of company reports to identify how multinational organisations advocate their sustainable position. Both construction and non-construction companies are considered with regard to the use of the term 'sustainable'. The review finds that the multinational organisations, both construction and non-construction have in recent years provided a position on sustainability. While heavy construction companies are setting a commitment toward sustainability, the positions stated against which the companies may be measured are often vague. There were, however, company reports where commitments to sustainability were detailed and the statements could be considered measureable. Nevertheless, most company reports use sustainability terms that remain generic and lend themselves to a more flexible approach to sustainability or, cynically, are providing the rhetoric for public relations

Accounting for refrigeration heat exchange in energy performance simulations of large food retail buildings

Heat exchange between chilled food storage and conditioned spaces in large food retail stores is not currently required as part of design stage regulatory compliance energy performance models. Existing work has identified that this exchange has a significant impact on store energy demand and subsequently leads to unrealistic assessment of building performance. Research presented in this article uses whole building dynamic thermal simulation models that are calibrated against real store performance data, quantifying the impact of the refrigeration driven heat exchange. Proxy refrigerated units are used to simulate the impact of these units for the sales floor areas. A methodology is presented that allows these models to be simplified with the aim of calculating a realistic process heat exchange for refrigeration and including this in thermal simulation models; a protocol for the measurement of chilled sales areas and their inclusion in the building models is also proposed. It is intended that this modelling approach and the calculated process heat exchange inputs can be used to improve the dynamic thermal simulation of large food retail stores, reduce gaps between predicted and actual performance and provide more representative inputs for design stage and regulatory compliance energy calculations

Unintended Consequences: institutional artifacts, closure mechanisms and the performance gap

Renewable technologies often feature in policies to improve the energy efficiency of buildings. Designers introduce predicted energy values for specific technologies, but are surprised when the technologies fail to perform as expected. Three building projects are used to explore the effect of construction processes on the energy performance of building-integrated photovoltaic (BIPV) technology. In two cases BIPV failed to deliver expected energy generation, while in the third, dramatic changes in project processes and technical specifications were needed to achieve the specified output. A social construction of technology (SCOT) analysis documents how the energy generation of BIPV disappeared from view at certain points as actors focused on building features. A contribution is made to the theoretical development of SCOT by responding to two issues: privileging of cognitive closure mechanisms and the neglect of institutional analysis. The concept of inflection mechanisms is introduced as a second type of closure mechanism. More specifically, the role of institutional artefacts (e.g. planning requirements and schedules) in the construction process is found to contribute to the performance gap. To reduce the ‘performance gap’, practitioners need to focus on the distribution of design responsibility, sequencing of work and the location of expertise

Panel docking of small-molecule libraries - Prospects to improve efficiency of lead compound discovery

Computational docking as a means to prioritise small molecules in drug discovery projects remains a highly popular in silico screening approach. Contemporary docking approaches without experimental parametrisation can reliably differentiate active and inactive chemotypes in a protein binding site, but the absence of a correlation between the score of a predicted binding pose and the biological activity of the molecule presents a clear limitation. Several novel or improved computational approaches have been developed in the recent past to aid in screening and profiling of small-molecule ligands for drug discovery, but also more broadly in developing conceptual relationships between different protein targets by chemical probing. Among those new methodologies is a strategy known as inverse virtual screening, which involves the docking of a compound into different protein structures. In the present article, we review the different computational screening methodologies that employ docking of atomic models, and, by means of a case study, present an approach that expands the inverse virtual screening concept. By computationally screening a reasonably sized library of 1235 compounds against a panel of 48 mostly human kinases, we have been able to identify five groups of putative lead compounds with substantial diversity when compared to each other. One representative of each of the five groups was synthesised, and tested in kinase inhibition assays, yielding two compounds with micro-molar inhibition in five human kinases. This highly economic and cost-effective methodology holds great promise for drug discovery projects, especially in cases where a group of target proteins share high structural similarity in their binding sites

The Respiratory Protection Effectiveness Clinical Trial (ResPECT): a cluster-randomized comparison of respirator and medical mask effectiveness against respiratory infections in healthcare personnel.

BACKGROUND: Although N95 filtering facepiece respirators and medical masks are commonly used for protection against respiratory infections in healthcare settings, more clinical evidence is needed to understand the optimal settings and exposure circumstances for healthcare personnel to use these devices. A lack of clinically germane research has led to equivocal, and occasionally conflicting, healthcare respiratory protection recommendations from public health organizations, professional societies, and experts. METHODS: The Respiratory Protection Effectiveness Clinical Trial (ResPECT) is a prospective comparison of respiratory protective equipment to be conducted at multiple U.S. study sites. Healthcare personnel who work in outpatient settings will be cluster-randomized to wear N95 respirators or medical masks for protection against infections during respiratory virus season. Outcome measures will include laboratory-confirmed viral respiratory infections, acute respiratory illness, and influenza-like illness. Participant exposures to patients, coworkers, and others with symptoms and signs of respiratory infection, both within and beyond the workplace, will be recorded in daily diaries. Adherence to study protocols will be monitored by the study team. DISCUSSION: ResPECT is designed to better understand the extent to which N95s and MMs reduce clinical illness among healthcare personnel. A fully successful study would produce clinically relevant results that help clinician-leaders make reasoned decisions about protection of healthcare personnel against occupationally acquired respiratory infections and prevention of spread within healthcare systems. TRIAL REGISTRATION: The trial is registered at clinicaltrials.gov, number NCT01249625 (11/29/2010)

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