BBSRC Data Sharing Policy

BBSRC recognizes the importance of contributing to the growing international efforts in data sharing. BBSRC is committed to getting the best value for the funds we invest and believes that making research data more readily available will reinforce open scientific inquiry and stimulate new investigations and analyses. BBSRC supports the view that data sharing should be led by the scientific community and driven by scientific need. It should also be cost effective and the data shared should be of the highest quality. Members of the community are expected and encouraged to practice and promote data sharing, determine standards and best practice, and create a scientific culture in which data sharing is embedded

Theoretical and Experimental Determination of the Proton Affinity of (CF3CH2)2O

We report the experimental determination of the proton affinity of the molecule (CF3CH2)2O using chemical ionization mass spectrometry, and we compare it to the theoretical value obtained for protonation at the oxygen atom using the calculational methodology (MP2/6-31G**//MP2/3-21G). The proton affinity for this molecule as measured by bracketing experiments was between 724 kJ/mole and 741 kJ/mole. Ab initio (MP2/6-31G**//MP2/3-21G) calculations yield a value of about 729 kJ/mole, in agreement with the chemical ionization experiments. The results of these and related calculations suggest that the (MP2/6-31G**//MP2/3-21G) methodology is acceptable for estimating the proton affinities of partially-and fully-fluorinated methyl and ethyl ethers. We submit that any conclusions about the chemistry of fluoroether polymer lubricants based on their basicity can also be predicted reliably with such calculations

Individual, social and home environment determinants of change in children\u27s television viewing: the Switch-Play intervention

Understanding potential determinants of change in television (TV) viewing among children may enhance the effectiveness of programs targeting this behaviour. This study aimed to investigate the contribution of individual, social and home environment factors among 10-year-old Australian children to change in TV viewing over a 21-month period. A total of 164 children (49% boys) completed a 19-lesson (9-month) intervention program to reduce TV viewing time. Children completed self-administered surveys four times over 21 months (pre- and post-intervention, 6- and 12-month follow-up). Baseline factors associated with change in TV viewing during the intervention and follow-up periods were: &lsquo;asking parents &ge;once/week to switch off the TV and play with them&rsquo; (21.6 min/day more than those reporting &lt;once/week, p = 0.007); being able to &lsquo;watch just 1 h of TV per day&rsquo; (26.1 min/day less than those who could not, p = 0.010); &lsquo;watching TV no matter what was on&rsquo; (36.6 min/day more than those who did not, p &lt; 0.001); and &lsquo;continuing to watch TV after their program was over&rsquo; (33.0 min/day more than those who did not, p = 0.006). With every unit increase in baseline frequency of TV viewing with family and friends, children spent on average 4.0 min/day more watching TV over the 21-month period (p = 0.047). Baseline number and placement of TVs at home did not predict change in children\u27s TV viewing over the 21 months. Greater understanding of the family dynamics and circumstances, as well as the individual and social determinants of TV viewing, will be required if we are to develop effective strategies for reducing TV viewing in children.<br /

Experimental and Calculational Studies of the Interactions of BF3 with Fluoroethers

BF3 was co-condensed with (C2H5)2O, (CF3CH2)2O and (C2F5)2O in excess argon at 15 K. Infrared spectra of the matrices showed a definite Lewis acid-base interaction between BF3 and diethyl ether; a weak but definite interaction with bis(2,2,2,-trifluorodiethyl)ether, and no observable interaction with perfluorodiethyl ether. Molecular orbital (MO) calculations complemented the experimental observations by revealing that fluorine atoms on the ethers decreased electron localization about the oxygen atom. Thus, the experimental data and MO calculations indicated a clear trend between strength of interaction with BF3 and the degree of ether F substitution. The implications of the results for commercial perfluoro ether lubricant/metal oxide surface interactions are discussed

Optimized Structures and Proton Affinities of Fluorinated Dimethyl Ethers: An Ab Initio Study

Ab initio methods have been used to investigate the proton affinity and the geometry changes upon protonation for the molecules (CH3)2O, (CH2F)2O, (CHF2)2O, and (CF3)2O. Geometry optimizations were performed at the MP2/3-2 I G level, and the resulting geometries were used for single-point energy MP2/6-31G calculations. The proton affinity calculated for (CH3)2O was 7 Kjoule/mole from the experimental value, within the desired variance of +/- 8Kjoule/mole for G2 theory, suggesting that the methodology used in this study is adequate for energy difference considerations. For (CF3)20, the calculated proton affinity of 602 Kjoule/mole suggests that perfluorinated ether molecules do not act as Lewis bases under normal circumstances; e.g. degradation of commercial lubricants in tribological applications

Electron Affinity Calculations for Thioethers

Previous work indicated that polyphenyl thioethers possessed chemical properties, related to their electron affinities, which could allow them to function as vapor phase lubricants (VPL). Indeed, preliminary tribological tests revealed that the thioethers could function as vapor phase lubricants but not over a wide temperature and hertzian pressure range. Increasing the electron affinity of the thioethers may improve their VPL properties over this range. Adding a substituent group to the thioether will alter its electron affinity in many cases. Molecular orbital calculations were undertaken to determine the effect of five different substituent groups on the electron affinity of polyphenyl thioethers. It was found that the NO2, F, and I groups increased the thioethers electron affinity by the greatest amount. Future work will involve the addition of these groups to the thioethers followed by tribological testing to assess their VPL properties

Pile capacity testing

As there is still uncertainty in accurately predicting the performance of piled foundations based upon design calculations there remains a need to test piles. Several methods of pile testing are available some of which have been in common usage for many years, while others are relatively recent developments. Static pile testing is a well understood and simple test technique that has been in use for many years. This approach has the benefit of directly producing test results but is hindered by the increasing size of associated testing infrastructure as pile capacity increases. A recent variation of classic top-down static testing is bi-directional testing which relies on the incorporation of a specialised loading jack or jacks in the pile shaft at some depth below ground surface. This technique has the ability to apply test loads that greatly exceed those possible in other pile test types by effectively using one portion of the pile capacity to test against the other or others. Alternative pile testing techniques come in the form of rapid and dynamic load tests that have the benefit of quick testing and reduced testing infrastructure but require more complicated analysis and interpretation techniques due to the rapid/dynamic nature of the tests

Assessing single helix screw pile geometry on offshore installation and axial capacity

Due to their low-noise installation and relatively large axial capacity, screw piles have been proposed as an alternative foundation solution in dense sand for offshore renewable energy applications in deeper water. For this to occur, significant upscaling of onshore dimensions is required. Furthermore, the effects of certain geometric features on installation requirements are still not well understood. In this work, using the three-dimensional discrete-element method, the effects of base geometry, shaft diameter and helix pitch were investigated by simulating the full installation process prior to conducting axial compression and tension tests. The results of the investigation showed it is possible to optimise the geometry of the screw pile to reduce installation requirements, in terms of both vertical installation force (up to 61%) and installation torque (up to 39%), without reducing the axial capacity of the pile significantly.</p

Differential Gene Expression at Coral Settlement and Metamorphosis - A Subtractive Hybridization Study

A successful metamorphosis from a planktonic larva to a settled polyp, which under favorable conditions will establish a future colony, is critical for the survival of corals. However, in contrast to the situation in other animals, e.g., frogs and insects, little is known about the molecular basis of coral metamorphosis. We have begun to redress this situation with previous microarray studies, but there is still a great deal to learn. In the present paper we have utilized a different technology, subtractive hybridization, to characterize genes differentially expressed across this developmental transition and to compare the success of this method to microarray.\ud \ud Methodology/Principal Findings\ud \ud Suppressive subtractive hybridization (SSH) was used to identify two pools of transcripts from the coral, Acropora millepora. One is enriched for transcripts expressed at higher levels at the pre-settlement stage, and the other for transcripts expressed at higher levels at the post-settlement stage. Virtual northern blots were used to demonstrate the efficacy of the subtractive hybridization technique. Both pools contain transcripts coding for proteins in various functional classes but transcriptional regulatory proteins were represented more frequently in the post-settlement pool. Approximately 18% of the transcripts showed no significant similarity to any other sequence on the public databases. Transcripts of particular interest were further characterized by in situ hybridization, which showed that many are regulated spatially as well as temporally. Notably, many transcripts exhibit axially restricted expression patterns that correlate with the pool from which they were isolated. Several transcripts are expressed in patterns consistent with a role in calcification.\ud \ud Conclusions\ud \ud We have characterized over 200 transcripts that are differentially expressed between the planula larva and post-settlement polyp of the coral, Acropora millepora. Sequence, putative function, and in some cases temporal and spatial expression are reported