CCP5: a collaborative computational project for the computer simulation of condensed phases

CCP5 is a Collaborative Computational Project in the Computer Simulation of Condensed Phases sponsored by the Science and Engineering Research Council of the United Kingdom. Its purpose, organization and the resources available to the participants are described.     

Prevalence of potentially inappropriate long term prescribing in general practice in the United Kingdom, 1980-95: systematic literature review.

OBJECTIVE: To determine the prevalence of potentially inappropriate long term prescribing in general practice in the United Kingdom. DESIGN: Review of 62 studies of the appropriateness of prescribing identified from seven electronic databases, from reference lists, and by hand searching of journals. A nominal group of 10 experts helped to define the appropriateness of prescribing. SETTING: General practice in the United Kingdom. MAIN OUTCOME MEASURES: Prevalences of 19 indicators of inappropriate long term prescribing representing five dimensions: indication, choice of drug, drug administration, communication, and review. RESULTS: Prevalences of potentially inappropriate prescribing varied by indicator and chronic condition, but drug dosages outside the therapeutic range consistently recorded the highest rates. The lowest rates were generally associated with indicators of the choice of the drug, except cost minimisation. Communication is studied less frequently than other dimensions of prescribing appropriateness. CONCLUSIONS: The evidence base to support allegations of widespread inappropriate prescribing in general practice is unsound. Although inappropriate prescribing has occurred, the scale of the problem is unknown because of limitations associated with selection of a standard, publication bias, and uncertainty about the context of prescribing decisions. Opportunities for cost savings and effectiveness gains are thus unclear. Indicators applicable to individual patients could yield evidence of prescribing appropriateness.     

The genetic structure of the rare lagoonal sea anemone,Nematostella vectensis Stephenson (Cnidaria; Anthozoa) in the United Kingdom based on RAPD analysis

The sea anemone Nematostella vectensis occurs in lagoons in the United States and along the southern and eastern coasts of the United Kingdom. In the United Kingdom it is considered rare and is threatened, principally through the destruction of lagoonal habitat. Random amplified polymorphic DNA (RAPD) data from populations across most of the rane of N. vectensis in the United Kingdom revealed that 61% of individuals had an identical genotype, the frequency of which varied from 0.01 to 1.00. These data provide strong evidence for predominantly clonal reproduction and for the existence of a 'general-purpose genotype' in the UK populations. Alternatively, the low levels of genetic variation observed in some N. vectensis populations may have resulted if they were founded from very few successful individuals from the United States. Analysis of molecular variance (amova) showed significant genetic differentiation between lagoons with no large-scale pattern of geographical variation. This result is consistent with occasional passive or anthropogenic dispersal of low numbers of individuals between lagoons followed by asexual proliferation of immigrants. Transplantation of individuals of the predominant (general-purpose) genotype, for conservation purposes, will probably stand a good chance of survival given its prevalence throughout the United Kingdom.     

Purchaser-provider: the international dimension.

Purchaser-provider systems in health care are being implemented in several countries and are under consideration in many more. These new arrangements are described for the United Kingdom, Finland, New Zealand, and Australia, and in each case responsibility for funding, purchasing, providing, and ownership is identified. The four systems, along with managed care organisations in the United States, are also compared with regard to several important features. There is a fundamental similarity between these purchaser-provider arrangements but several key differences are well worth systematic study. This is a major challenge for academic bodies in Britain and other countries, and the opportunity to learn from each other should not be missed.     

Current status of long term ventilation of children in the United Kingdom: questionnaire survey

ObjectivesTo identify the number and current location of children, aged 0 to 16 years, requiring long term ventilation in the United Kingdom, and to establish their underlying diagnoses and ventilatory needs.DesignPostal questionnaires sent to consultant respiratory paediatricians and all lead clinicians of intensive care and special care baby units in the United Kingdom.SubjectsAll children in the United Kingdom who, when medically stable, continue to need a mechanical aid for breathing.Results141 children requiring long term ventilation were identified from the initial questionnaire. Detailed information was then obtained on 136 children from 30 units. Thirty three children (24%) required continuous positive pressure ventilation by tracheostomy over 24 hours, and 103 received ventilation when asleep by a non-invasive mask (n=62; 46%), tracheostomy (n=32; 24%), or negative pressure ventilation (n=9; 7%). Underlying conditions included neuromuscular disease (n=62; 46%), congenital central hypoventilation syndrome (n=18; 13%), spinal injury (n=16; 12%), craniofacial syndromes (n=9; 7%), bronchopulmonary dysplasia (n=6; 4%), and others (n=25; 18%). 93 children were cared for at home. 43 children remained in hospital because of home circumstances, inadequate funding, or lack of provision of home carers. 96 children were of school age and 43 were attending mainstream school.ConclusionsA significant increase in the number of children requiring long term ventilation in the United Kingdom has occurred over the past decade. Contributing factors include improved technology, developments in paediatric non-invasive ventilatory support, and a change in attitude towards home care. Successful discharge home and return to school is occurring even for severely disabled patients. Funding and home carers are common obstacles to discharge.

Key messages

• The number of children requiring long term ventilatory support has increased substantially in the past 8 years
• Ventilatory support at home is the best option for meeting the child’s psychological needs and enhancing quality of life
• The majority of children dependent on long term ventilation live at home and attend mainstream schools
• A shift of care has occurred from intensive care units to less acute areas

     

Effects of Soil pH on the Biodegradation of Chlorpyrifos and Isolation of a Chlorpyrifos-Degrading Bacterium

We examined the role of microorganisms in the degradation of the organophosphate insecticide chlorpyrifos in soils from the United Kingdom and Australia. The kinetics of degradation in five United Kingdom soils varying in pH from 4.7 to 8.4 suggested that dissipation of chlorpyrifos was mediated by the cometabolic activities of the soil microorganisms. Repeated application of chlorpyrifos to these soils did not result in the development of a microbial population with an enhanced ability to degrade the pesticide. A robust bacterial population that utilized chlorpyrifos as a source of carbon was detected in an Australian soil. The enhanced ability to degrade chlorpyrifos in the Australian soil was successfully transferred to the five United Kingdom soils. Only soils with a pH of ≥6.7 were able to maintain this degrading ability 90 days after inoculation. Transfer and proliferation of degrading microorganisms from the Australian soil to the United Kingdom soils was monitored by molecular fingerprinting of bacterial 16S rRNA genes by PCR-denaturing gradient gel electrophoresis (DGGE). Two bands were found to be associated with enhanced degradation of chlorpyrifos. Band 1 had sequence similarity to enterics and their relatives, while band 2 had sequence similarity to strains of Pseudomonas. Liquid enrichment culture using the Australian soil as the source of the inoculum led to the isolation of a chlorpyrifos-degrading bacterium. This strain had a 16S rRNA gene with a sequence identical to that of band 1 in the DGGE profile of the Australian soil. DNA probing indicated that genes similar to known organophosphate-degrading (opd) genes were present in the United Kingdom soils. However, no DNA hybridization signal was detected for the Australian soil or the isolated degrader. This indicates that unrelated genes were present in both the Australian soil and the chlorpyrifos-degrading isolate. These results are consistent with our observations that degradation of chlorpyrifos in these systems was unusual, as it was growth linked and involved complete mineralization. As the 16S rRNA gene of the isolate matched a visible DGGE band from the Australian soil, the isolate is likely to be both prominent and involved in the degradation of chlorpyrifos in this soil.     

Effects of soil pH on the biodegradation of chlorpyrifos and isolation of a chlorpyrifos-degrading bacterium

We examined the role of microorganisms in the degradation of the organophosphate insecticide chlorpyrifos in soils from the United Kingdom and Australia. The kinetics of degradation in five United Kingdom soils varying in pH from 4.7 to 8.4 suggested that dissipation of chlorpyrifos was mediated by the cometabolic activities of the soil microorganisms. Repeated application of chlorpyrifos to these soils did not result in the development of a microbial population with an enhanced ability to degrade the pesticide. A robust bacterial population that utilized chlorpyrifos as a source of carbon was detected in an Australian soil. The enhanced ability to degrade chlorpyrifos in the Australian soil was successfully transferred to the five United Kingdom soils. Only soils with a pH of >/=6.7 were able to maintain this degrading ability 90 days after inoculation. Transfer and proliferation of degrading microorganisms from the Australian soil to the United Kingdom soils was monitored by molecular fingerprinting of bacterial 16S rRNA genes by PCR-denaturing gradient gel electrophoresis (DGGE). Two bands were found to be associated with enhanced degradation of chlorpyrifos. Band 1 had sequence similarity to enterics and their relatives, while band 2 had sequence similarity to strains of Pseudomonas. Liquid enrichment culture using the Australian soil as the source of the inoculum led to the isolation of a chlorpyrifos-degrading bacterium. This strain had a 16S rRNA gene with a sequence identical to that of band 1 in the DGGE profile of the Australian soil. DNA probing indicated that genes similar to known organophosphate-degrading (opd) genes were present in the United Kingdom soils. However, no DNA hybridization signal was detected for the Australian soil or the isolated degrader. This indicates that unrelated genes were present in both the Australian soil and the chlorpyrifos-degrading isolate. These results are consistent with our observations that degradation of chlorpyrifos in these systems was unusual, as it was growth linked and involved complete mineralization. As the 16S rRNA gene of the isolate matched a visible DGGE band from the Australian soil, the isolate is likely to be both prominent and involved in the degradation of chlorpyrifos in this soil.     

Ceratovacuna atrovirensa Qiao,a new species from China (Aphididae: Hormaphdinae)

Ceratovacuna atrovirensa Qiao sp.n., a woolly aphid on Indocalamus tessellatus from China, is described and illustrated. The new species is supported by both morphological and molecular data. An updated key to apterous viviparous females of Ceratovacuna is provided. The type specimens are deposited in the National Zoological Museum of China, Institute of Zoology, the Chinese Academy of Sciences, Beijing, China and the Natural History Museum, London, United Kingdom.www.zoobank.org/urn:lsid:zoobank.org:pub:8D012AE4-D4FD-4AF7-B2AC-3CCB22ADE188.     

Variation in two phases of post‐winter development of a butterfly

The temporal aspects of life cycle characteristics, such as diapause development, are under strong selection in seasonal environments. Fine‐tuning of the life cycle may be particularly important to match the phenology of potential mates and resources as well as for optimizing abiotic conditions at eclosion. Here, we experimentally study the spring phenology of the orange tip butterfly, Anthocharis cardamines, by analysing post‐winter pupal development in three populations along a latitudinal cline in each of Sweden and the United Kingdom. These countries differ substantially in their seasonal temperature profile. By repeatedly recording pupal weights, we established that post‐winter development has two separate phases, with a more rapid weight loss in the second phase than in the first, likely corresponding to a ramping up of the rate of development. Variation in the duration of the first phase contributed more strongly than the second phase to the differences in phenology between the localities and sexes. We found that insects from Sweden had a faster overall rate of development than those from the United Kingdom, which is consistent with countergradient variation, as Sweden is colder during the spring than the United Kingdom. Similar trends were not observed at the within‐country scale, however. A cogradient pattern was found within Sweden, with populations from the north developing more slowly, and there was no clear latitudinal trend within the United Kingdom. In all localities, males developed faster than females. Our results point to the importance of variation in the progression of post‐winter development for spring phenology.     

Materials and Energy Flow Analysis of Paper Consumption in the United Kingdom, 1987-2010

This article presents the results of a life-cycle materials and energy flow analysis for the pulp and paper cycle in the United Kingdom. Material flows are reconstructed for the period be-tween 1987 and 1996 for all major processes associated with the paper cycle, and system energy requirements are calculated over this period using the best available data. Attention is drawn to the import dependence of U.K. paper demand, and the significant energy requirements associated with upstream forestry processes. The historical trend analysis is then used to model possible future developments in materials and energy consumption until 2010 under a variety of assumptions about process technology improvements, wastepaper utilization rates, and changing demand trends. The results indicate that policy options to increase recycling yield some energy benefits, but these are small by comparison with the benefits to be gained by reducing consumption of paper and improving process technology. The structure of the electricity supply industry in the United Kingdom means that global energy benefits could also be achieved by increasing the contribution from imported pulp.     

Audit of prenatal diagnosis for haemoglobin disorders in the United Kingdom: the first 20 years.

OBJECTIVES: To audit services for prenatal diagnosis for haemoglobin disorders in the United Kingdom. DESIGN: Comparison of the annual number of cases recorded in a United Kingdom register of prenatal diagnoses for haemoglobin disorders, with the annual number of pregnancies at risk of these disorders, by ethnic group and regional health authority. The number of pregnancies at risk was estimated using data on ethnic group from the 1991 census and data from the United Kingdom thalassaemia register, which records the number of babies born with thalassaemia. SETTING: The three national prenatal diagnosis centres for haemoglobin disorders. SUBJECTS: 2068 cases of prenatal diagnosis for haemoglobin disorders in the United Kingdom from 1974 to 1994. MAIN OUTCOME MEASURES: Utilisation of prenatal diagnosis by risk, ethnic group, and regional health authority. Proportion of referrals in the first trimester and before the birth of any affected child. RESULTS: National utilisation of prenatal diagnosis for haemoglobin disorders was around 20%. During the past 10 years it has remained steady at about 50% for thalassaemias and risen from 7% to 13% for sickle cell disorders. Utilisation for sickle cell disorders varies regionally from 2% to 20%. Utilisation for thalassaemias varies by ethnic group. It is almost 90% for Cypriots and ranges regionally for British Pakistanis from 0% to over 60%. About 60% of first prenatal diagnoses are done for couples without an affected child. Less than 50% of first referrals are in the first trimester. CONCLUSIONS: National utilisation of prenatal diagnosis for haemoglobin disorders is far lower than expected, and there are wide regional variations. A high proportion of referrals are still in the second trimester and after the birth of an affected child. The findings point to serious shortcomings in present antenatal screening practice and in local screening policies and to inadequate counselling resources, especially for British Pakistanis.     

Celtic origin of the C282Y mutation of hemochromatosis

The main hereditary hemochromatosis mutation C282Y in the HFE gene was recently described, and the C282Y frequencies were reported for various European populations. The aim of this synthesis is to compile the Y allele frequencies of the C282Y mutation for 40 European populations. The most elevated values are observed in residual Celtic populations in Ireland, the United Kingdom, and France, in accordance with the hypothesis of Simon et al. (1980) concerning a Celtic origin of the hereditary hemochromatosis mutation.     

Replacement migration,or why everyone is going to have to live in Korea: a fable for our times from the United Nations

This paper considers international migration in the context of population ageing. In many Western countries, the search for appropriate responses to manage future population ageing and population decline has directed attention to international migration. It seems reasonable to believe that international migrants, mostly of young working age, can supply population deficits created by low birth rates, protect European society and economy from the economic costs of elderly dependency, and provide a workforce to care for the elderly. Particular prominence has been given to this option through the publicity attendant on a report from the UN Population Division in 2000 on 'replacement migration', which has been widely reported and widely misunderstood. Although immigration can prevent population decline, it is already well known that it can only prevent population ageing at unprecedented, unsustainable and increasing levels of inflow, which would generate rapid population growth and eventually displace the original population from its majority position. This paper reviews these arguments in the context of the causes and inevitability of population ageing, with examples mostly based on UK data. It discusses various options available in response to population ageing through workforce, productivity, pensions reform and other means. It concludes that there can be no 'solution' to population ageing, which is to a considerable degree unavoidable. However, if the demographic regime of the United Kingdom continues to be relatively benign, future population ageing can be managed with tolerable inconvenience without recourse to increased immigration for 'demographic' purposes. At present (2001), net immigration to the United Kingdom is already running at record levels and is now the main engine behind UK population and household growth. By itself, population stabilization, or even mild reduction, is probably to be welcomed in the United Kingdom, although the issue has attracted little attention since the 1970s.     

Characteristics of grass pollen seasons in areas of southern Spain and the United Kingdom

Spatial and temporal variations in daily grasspollen counts and weather variables aredescribed for two regions with differentbio-geographical and climatic regimes, southernSpain and the United Kingdom. Daily averagegrass pollen counts are considered from sixpollen-monitoring sites, three in southernSpain (Ciudad Real, Córdoba and Priego) andthree in the United Kingdom (Edinburgh,Worcester and Cambridge). Analysis shows thatrainfall and maximum temperatures are importantfactors controlling the magnitude of the grasspollen season in both southern Spain and theUnited Kingdom, and that the strength anddirection of the influence exerted by thesevariables varies with geographical location andtime.     

Laboulbeniales (Ascomycota) from Bulgaria and other countries

Fifty-two species of the Laboulbeniales are reported for the first time from Bulgaria. One new species of Diphymyces, parasitic on Hexaurus schipkaensis is also described. The total number of species from Bulgaria is thus raised from 15 to 68. The first records of any of the Laboulbeniales are reported from Armenia, Eritrea, Georgia and Kazakhstan; more new records are reported also from Albania, China, Cyprus, Hungary, Italy, Mongolia, Namibia, Romania, Slovenia, Switzerland, United Kingdom and Yemen. The antheridia of Misgomyces dyschirii are described and illustrated.     

Role of soil pH in the development of enhanced biodegradation of fenamiphos

Repeated treatment with fenamiphos (ethyl 4-methylthio-m-tolyl isopropylphosphoramidate) resulted in enhanced biodegradation of this nematicide in two United Kingdom soils with a high pH (>/= 7.7). In contrast, degradation of fenamiphos was slow in three acidic United Kingdom soils (pH 4.7 to 6.7), and repeated treatments did not result in enhanced biodegradation. Rapid degradation of fenamiphos was observed in two Australian soils (pH 6.7 to 6.8) in which it was no longer biologically active against plant nematodes. Enhanced degrading capability was readily transferred from Australian soil to United Kingdom soils, but only those with a high pH were able to maintain this capability for extended periods of time. This result was confirmed by fingerprinting bacterial communities by 16S rRNA gene profiling of extracted DNA. Only United Kingdom soils with a high pH retained bacterial DNA bands originating from the fenamiphos-degrading Australian soil. A degrading consortium was enriched from the Australian soil that utilized fenamiphos as a sole source of carbon. The 16S rRNA banding pattern (determined by denaturing gradient gel electrophoresis) from the isolated consortium migrated to the same position as the bands from the Australian soil and those from the enhanced United Kingdom soils in which the Australian soil had been added. When the bands from the consortium and the soil were sequenced and compared they showed between 97 and 100% sequence identity, confirming that these groups of bacteria were involved in degrading fenamiphos in the soils. The sequences obtained showed similarity to those from the genera Pseudomonas, Flavobacterium, and CAULOBACTER: In the Australian soils, two different degradative pathways operated simultaneously: fenamiphos was converted to fenamiphos sulfoxide (FSO), which was hydrolyzed to the corresponding phenol (FSO-OH) or was hydrolyzed directly to fenamiphos phenol. In the United Kingdom soils in which enhanced degradation had been induced, fenamiphos was oxidized to FSO and then hydrolyzed to FSO-OH, but direct conversion to fenamiphos phenol did not occur.     

Evolutionary dynamics of local pandemic H1N1/2009 influenza virus lineages revealed by whole-genome analysis

Virus gene sequencing and phylogenetics can be used to study the epidemiological dynamics of rapidly evolving viruses. With complete genome data, it becomes possible to identify and trace individual transmission chains of viruses such as influenza virus during the course of an epidemic. Here we sequenced 153 pandemic influenza H1N1/09 virus genomes from United Kingdom isolates from the first (127 isolates) and second (26 isolates) waves of the 2009 pandemic and used their sequences, dates of isolation, and geographical locations to infer the genetic epidemiology of the epidemic in the United Kingdom. We demonstrate that the epidemic in the United Kingdom was composed of many cocirculating lineages, among which at least 13 were exclusively or predominantly United Kingdom clusters. The estimated divergence times of two of the clusters predate the detection of pandemic H1N1/09 virus in the United Kingdom, suggesting that the pandemic H1N1/09 virus was already circulating in the United Kingdom before the first clinical case. Crucially, three clusters contain isolates from the second wave of infections in the United Kingdom, two of which represent chains of transmission that appear to have persisted within the United Kingdom between the first and second waves. This demonstrates that whole-genome analysis can track in fine detail the behavior of individual influenza virus lineages during the course of a single epidemic or pandemic.