Molecular docking and geographical information systems as tools to assess the potential impact of veterinary medicines on non-target organisms and the environment

Veterinary medicines (VMs) from agricultural industry can enter the environment in a number of ways. This includes direct exposure through aquaculture, accidental spillage and disposal, and indirect entry by leaching from manure or runoff after treatment. Many compounds used in animal treatments have ecotoxic properties that may have chronic or sometimes lethal effects when they come into contact with non-target organisms. VMs enter the environment in mixtures, potentially having additive effects. Traditional ecotoxicology tests are used to determine the lethal and sometimes reproductive effects on freshwater and terrestrial organisms. However, organisms used in ecotoxicology tests can be unrepresentative of the populations that are likely to be exposed to the compound in the environment. Most often the tests are on single compound toxicity but mixture effects may be significant and should be included in ecotoxicology testing. This work investigates the use, measured environmental concentrations (MECs) and potential impact of sea lice treatments on salmon farms in Scotland. Alternative methods for ecotoxicology testing including mixture toxicity, and the use of in silico techniques to predict the chronic impact of VMs on different species of aquatic organisms were also investigated. The Scottish Environmental Protection Agency (SEPA) provided information on the use of five sea lice treatments from 2008-2011 on Scottish salmon farms. This information was combined with the recently available data on sediment MECs for the years 2009-2012 provided by SEPA using ArcGIS 10.1. In depth analysis of this data showed that from a total of 55 sites, 30 sites had a MEC higher than the maximum allowable concentration (MAC) as set out by SEPA for emamectin benzoate and 7 sites had a higher MEC than MAC for teflubenzuron. A number of sites that were up to 16 km away from the nearest salmon farm reported as using either emamectin benzoate or teflubenzuron measured positive for the two treatments. There was no relationship between current direction and the distribution of the sea lice treatments, nor was there any evidence for alternative sources of the compounds e.g. land treatments. The sites that had MECs higher than the MAC could pose a risk to non-target organisms and disrupt the species dynamics of the area. There was evidence that some marine protected sites might be at risk of exposure to these compounds. To complement this work, effects on acute mixture toxicity of the 5 sea lice treatments, plus one major metabolite 3-phenoxybenzoic acid (3PBA), were measured using an assay using the bioluminescent bacteria Aliivibrio fischeri. When exposed to the 5 sea lice treatments and 3PBA A. fischeri showed a response to 3PBA, emamectin benzoate and azamethiphos as well as combinations of the three. In order to establish any additive effect of the sea lice treatments, the efficacy of two mixture prediction equations, concentration addition (CA) and independent action ii(IA) were tested using the results from single compound dose response curves. In this instance IA was the more effective prediction method with a linear regression confidence interval of 82.6% compared with 22.6% of CA. In silico molecular docking was carried out to predict the chronic effects of 15 VMs (including the five used as sea lice control). Molecular docking has been proposed as an alternative screening method for the chronic effects of large animal treatments on non-target organisms. Oestrogen receptor alpha (ERα) of 7 non-target bony fish and the African clawed frog Xenopus laevis were modelled using SwissModel. These models were then ‘docked’ to oestradiol, the synthetic oestrogen ethinylestradiol, two known xenoestrogens dichlorodiphenyltrichloroethane (DDT) and bisphenol A (BPA), the antioestrogen breast cancer treatment tamoxifen and 15 VMs using Auto Dock 4. Based on the results of this work, four VMs were identified as being possible xenoestrogens or anti-oestrogens; these were cypermethrin, deltamethrin, fenbendazole and teflubenzuron. Further investigation, using in vitro assays, into these four VMs has been suggested as future work. A modified recombinant yeast oestrogen screen (YES) was attempted using the cDNA of the ERα of the zebrafish Danio rerio and the rainbow trout Oncorhynchus mykiss. Due to time and difficulties in cloning protocols this work was unable to be completed. Use of such in vitro assays would allow for further investigation of the highlighted VMs into their oestrogenic potential. In conclusion, VMs used as sea lice treatments, such as teflubenzuron and emamectin benzoate may be more persistent and have a wider range in the environment than previously thought. Mixtures of sea lice treatments have been found to persist together in the environment, and effects of these mixtures on the bacteria A. fischeri can be predicted using the IA equation. Finally, molecular docking may be a suitable tool to predict chronic endocrine disrupting effects and identify varying degrees of impact on the ERα of nine species of aquatic organisms.

Temporal differences across a bio-geographical boundary reveal slow response of sub-littoral benthos to climate change

The English Channel is located at the biogeographical boundary between the northern Boreal and southern Lusitanian biozones and therefore represents an important area to study the effects of global warming on marine organisms. While the consequences of climatic change in the western English Channel have been relatively well documented for fish, plankton and inter-tidal benthic communities, data highlighting the same effects on the distribution of sub-littoral benthic organisms does, to date, not exist. The present study resurveyed a subset of sites originally surveyed from 1958 to 1959 along the UK coast of the English Channel. The main aims of this resurvey were to describe the present status of benthic communities and to investigate potential temporal changes, in particular distributional changes in western stenothermal ‘cold’ water and southern Lusitanian ‘warm’ water species. The increase in water temperature observed since the historic survey was predicted to have caused a contraction in the distribution of cold water species and an extension in the distribution of warm water species. The temporal comparison did not show any clear broad-scale distributional changes in benthic communities consistent with these predictions. Nevertheless, 2 warm water species, the sting winkle Ocenebra erinacea and the introduced American slipper limpet Crepidula fornicata, did show range extensions and increased occurrence, possibly related to climatic warming. Similarly, warm water species previously not recorded by the historic survey were found. The absence of broad-scale temporal differences in sub-tidal communities in response to climatic warming has been reported for other areas and may indicate that these communities respond far more slowly to environmental changes compared to plankton, fish and inter-tidal organisms.

Temporal differences across a bio-geographical boundary reveal slow response of sub-littoral benthos to climate change

The English Channel is located at the biogeographical boundary between the northern Boreal and southern Lusitanian biozones and therefore represents an important area to study the effects of global warming on marine organisms. While the consequences of climatic change in the western English Channel have been relatively well documented for fish, plankton and inter-tidal benthic communities, data highlighting the same effects on the distribution of sub-littoral benthic organisms does, to date, not exist. The present study resurveyed a subset of sites originally surveyed from 1958 to 1959 along the UK coast of the English Channel. The main aims of this resurvey were to describe the present status of benthic communities and to investigate potential temporal changes, in particular distributional changes in western stenothermal ‘cold’ water and southern Lusitanian ‘warm’ water species. The increase in water temperature observed since the historic survey was predicted to have caused a contraction in the distribution of cold water species and an extension in the distribution of warm water species. The temporal comparison did not show any clear broad-scale distributional changes in benthic communities consistent with these predictions. Nevertheless, 2 warm water species, the sting winkle Ocenebra erinacea and the introduced American slipper limpet Crepidula fornicata, did show range extensions and increased occurrence, possibly related to climatic warming. Similarly, warm water species previously not recorded by the historic survey were found. The absence of broad-scale temporal differences in sub-tidal communities in response to climatic warming has been reported for other areas and may indicate that these communities respond far more slowly to environmental changes compared to plankton, fish and inter-tidal organisms.

Evidence from genetic and Lagrangian drifter data for transatlantic transport of small juvenile green turtles

[EN] Aim: A key life-history component for many animals is the need for movement between different geographical locations at particular times. Green turtle (Chelonia mydas) hatchlings disperse from their natal location to spend an early pelagic stage in the ocean, followed by a neritic stage where small juveniles settle in coastal areas. In this study, we combined genetic and Lagrangian drifter data to investigate the connectivity between natal and foraging locations. In particular, we focus on the evidence for transatlantic transport.

Tanzanian Food Origins and Protected Geographical Indications

As the world`s population is constantly growing, food security will remain on the policy Agenda, particularly in Africa. At the same time, global food systems experience a new wave focusing on local foods and food sovereignty featuring high quality food products of verifiable geographical origin. This article argues that Geographical Indications (GI´s) hold the potential to help transform the Tanzanian agriculture-dependent economy through the tapping of value from unique products, attributing taste and colour to place or regional geography. This study aims to identify the existence and characteristics of food origin products in Tanzania that have potential for GI certification. The hypothesis was that there are origin products in Tanzania whose unique characteristics are linked to the area of production. Geographical indications can be useful policy instruments contributing to food security and sovereignty and quality within an efficient marketing system with the availability of government support, hence the need to identify key candidates for GI certification. Five Tanzanian origin products were selected from 14 candidate agricultural products through a scoping study. Rice from Kyela, Aloe vera, Coffee and Sugar from Kilimanjaro and Cloves from Zanzibar are some of the product cases investigated and provides for in-depth case study, as ´landscape´ products incorporating ´taste of place´. Interviews were conducted to collect quantitative and qualitative data. Data was collected on the production area, product quality perceived by the consumer in terms of taste, flavour, texture, aroma, appearance (colour, size) and perceptions of links between geography related factors (soil, land weather characteristics) and product qualities. A qualitative case study analysis was done for each of the (five) selected Tanzanian origin products investigated with plausible prospects for Tanzania to leapfrog into exports of Geographical Indications products. Framework conditions for producers creating or capturing market value as stewards of cultural and landscape values, environments, and institutional requirements for such creation or capturing to happen, including presence of export opportunities, are discussed. Geographical indication is believed to allow smallholders to create employment and build monetary value, while stewarding local food cultures and natural environments and resources, and increasing the diversity of supply of natural and unique quality products and so contribute to enhanced food security.

Variations in chemoprophylaxis for meningococcal disease: a retrospective case note review, analysis of routine prescribing data and questionnaire of general practitioners

BACKGROUND: Invasive meningococcal disease is a significant cause of mortality and morbidity in the UK. Administration of chemoprophylaxis to close contacts reduces the risk of a secondary case. However, unnecessary chemoprophylaxis may be associated with adverse reactions, increased antibiotic resistance and removal of organisms, such as Neisseria lactamica, which help to protect against meningococcal disease. Limited evidence exists to suggest that overuse of chemoprophylaxis may occur. This study aimed to evaluate prescribing of chemoprophylaxis for contacts of meningococcal disease by general practitioners and hospital staff. METHODS: Retrospective case note review of cases of meningococcal disease was conducted in one health district from 1st September 1997 to 31st August 1999. Routine hospital and general practitioner prescribing data was searched for chemoprophylactic prescriptions of rifampicin and ciprofloxacin. A questionnaire of general practitioners was undertaken to obtain more detailed information. RESULTS: Prescribing by hospital doctors was in line with recommendations by the Consultant for Communicable Disease Control. General practitioners prescribed 118% more chemoprophylaxis than was recommended. Size of practice and training status did not affect the level of additional prescribing, but there were significant differences by geographical area. The highest levels of prescribing occurred in areas with high disease rates and associated publicity. However, some true close contacts did not appear to receive prophylaxis. CONCLUSIONS: Receipt of chemoprophylaxis is affected by a series of patient, doctor and community interactions. High publicity appears to increase demand for prophylaxis. Some true contacts do not receive appropriate chemoprophylaxis and are left at an unnecessarily increased risk

Resistance to phosphine in Sitophilus oryzae in Australia: A national analysis of trends and frequencies over time and geographical spread

In Australia, along with many other parts of the world, fumigation with phosphine is a vital component in controlling stored grain insect pests. However, resistance is a factor that may limit the continued efficacy of this fumigant. While strong resistance to phosphine has been identified and characterised, very little information is available on the causes of its development and spread. Data obtained from a unique national resistance monitoring and management program were analysed, using Bayesian hurdle modelling, to determine which factors may be responsible. Fumigation in unsealed storages, combined with a high frequency of weak resistance, were found to be the main criteria that led to the development of strong resistance in Sitophilus oryzae. Independent development, rather than gene flow via migration, appears to be primarily responsible for the geographic incidence of strong resistance to phosphine in S. oryzae. This information can now be utilised to direct resources and education into those areas at high risk and to refine phosphine resistance management strategies.

A review on systematic and taxonomic of the Persian Gulf fish species, based on geographical distribution pattern and habitat diversity, using by GIS

During the period from 2011 - 2015 with the aim of this study was to systematically review and in particular the revised classification of the Persian Gulf (and the Strait of Hormuz) and to obtain new information about the final confirmed list of fish species of Iranian waters of the Persian Gulf (and Hormuz Strait), samples of museums, surveys and sampling, and comparative study of all available sources and documentation was done. Classification systematic of sharks and batoids and bony fishes. Based on the results, the final list of approved fish of the Persian Gulf (including the Strait of Hormuz and Gulf of Oman border region) are 907 species in 157 families, of which 93 species of fish with 28 cartilaginous families (including 18 families with 60 species and 10 families with 34 species of shark and batoids); and 129 families with 814 species of bony fishes are. The presence of 11 new family with only one representative species in the area include Veliferidae, Zeidae, Sebastidae, Stomiidae, Dalatiidae, Zanclidae, Pempheridae, Lophiidae Kuhliidae, Etmoptridae and Chlorophthalmidae also recently introduced and approved. The two families based Creediidae Clinidae and their larvae samples for newly identified area. 62 families with mono-species and 25 families with more than 10 species are present including Gobiidae (53), Carangide (48), Labride (41), Blenniidae (34), Apogonidae (32) and Lutjanidae (31) of bony fishes, Carcharhinidae (26) of sharks and Dasyatidae (12) in terms of number of species of batoids most families to have their data partitioning. Also, 13 species as well as endemic species introduced the Persian Gulf and have been approved in terms of geographical expansion of the Persian Gulf are unique to the area.Two species of the family Poeciliidae and Cyprinodontidae have species of fresh water to the brackish coastal habitats have found a way;in addition to 11 types of families Carcharhinidae, Clupeidae, Chanidae, Gobidae, Mugilidae, Sparidae also as a species, with a focus on freshwater river basins in the south of the country have been found. In this study, it was found that out of 907 species have been reported from the study area, 294 species (32.4 %) to benthic habitats (Benthic habitats) and 613 species (67.6 %) in pelagic habitats (Pelagic habitats) belong. Coral reefs and rocky habitats in the range of benthic fish (129 species - 14.3 %) and reef associated fishes in the range of pelagic fishes (432 species – 47.8 %), the highest number and percentage of habitat diversity (Species habitats) have been allocated. As well as fish habitats with sea grass and algae beds in benthic habitat (17 species- 1.9 %) and pelagic - Oceanic (Open sea) in the whole pelagic fish (30 species – 3.3 %), the lowest number and percentage of habitat diversity into account. From the perspective of animal geography (Zoogeography) and habitat overlaps and similarities (Habitat overlapping) fish fauna of the Persian Gulf compared with other similar seas (tropical and subtropical, and warm temperate) in the Indian Ocean area - calm on the surface, based on the presence of certain species that the fish fauna of the Persian Gulf to the Red Sea and the Bay of Bengal (East Arabian Sea) compared to other regions in the Indian Ocean (Pacific) is closer (about 50%), and the Mediterranean (East area) and The Hawaiian Islands have the lowest overlap and similarity of habitat and species (about 10%).

Atlas versus range maps: robustness of chorological relationships to distribution data types in European mammals

Aim Chorological relationships describe the patterns of distributional overlap among species. In addition to revealing biogeographical structure, the resulting clusters of species with similar geographical distributions can serve as natural units in conservation planning. Here, we assess the extent to which temporal, methodological and taxonomical differences in the source of species’ distribution data can affect the relationships that are found.

Timeline and geographical distribution of Helicoverpa armigera (Hübner) (Lepidoptera, Noctuidae: Heliothinae) in Brazil.

Abstract This study presents registers of Helicoverpa armigera (Hübner) occurrence to assess its spatial and temporal distribution in Brazil. We used data from collections, especially from the Southern Region, systematic collections in Rio Grande do Sul, occasional collections of caterpillars and adults in different regions of Brazil, as well as literature registers. We conclude that the introduction of H. armigera in Brazil probably occurred before October 2008. We also register that in August 2012 H. armigera was already present from the extreme southern part (Rio Grande do Sul) to the extreme northern part (Amapá) of Brazil.

Iis--integrated Interactome System: A Web-based Platform For The Annotation, Analysis And Visualization Of Protein-metabolite-gene-drug Interactions By Integrating A Variety Of Data Sources And Tools.

High-throughput screening of physical, genetic and chemical-genetic interactions brings important perspectives in the Systems Biology field, as the analysis of these interactions provides new insights into protein/gene function, cellular metabolic variations and the validation of therapeutic targets and drug design. However, such analysis depends on a pipeline connecting different tools that can automatically integrate data from diverse sources and result in a more comprehensive dataset that can be properly interpreted. We describe here the Integrated Interactome System (IIS), an integrative platform with a web-based interface for the annotation, analysis and visualization of the interaction profiles of proteins/genes, metabolites and drugs of interest. IIS works in four connected modules: (i) Submission module, which receives raw data derived from Sanger sequencing (e.g. two-hybrid system); (ii) Search module, which enables the user to search for the processed reads to be assembled into contigs/singlets, or for lists of proteins/genes, metabolites and drugs of interest, and add them to the project; (iii) Annotation module, which assigns annotations from several databases for the contigs/singlets or lists of proteins/genes, generating tables with automatic annotation that can be manually curated; and (iv) Interactome module, which maps the contigs/singlets or the uploaded lists to entries in our integrated database, building networks that gather novel identified interactions, protein and metabolite expression/concentration levels, subcellular localization and computed topological metrics, GO biological processes and KEGG pathways enrichment. This module generates a XGMML file that can be imported into Cytoscape or be visualized directly on the web. We have developed IIS by the integration of diverse databases following the need of appropriate tools for a systematic analysis of physical, genetic and chemical-genetic interactions. IIS was validated with yeast two-hybrid, proteomics and metabolomics datasets, but it is also extendable to other datasets. IIS is freely available online at: http://www.lge.ibi.unicamp.br/lnbio/IIS/.

[gait Speed, Grip Strength And Self-rated Health Among The Elderly: Data From The Fibra Campinas Network, São Paulo, Brazil].

The article seeks to investigate patterns of performance and relationships between grip strength, gait speed and self-rated health, and investigate the relationships between them, considering the variables of gender, age and family income. This was conducted in a probabilistic sample of community-dwelling elderly aged 65 and over, members of a population study on frailty. A total of 689 elderly people without cognitive deficit suggestive of dementia underwent tests of gait speed and grip strength. Comparisons between groups were based on low, medium and high speed and strength. Self-related health was assessed using a 5-point scale. The males and the younger elderly individuals scored significantly higher on grip strength and gait speed than the female and oldest did; the richest scored higher than the poorest on grip strength and gait speed; females and men aged over 80 had weaker grip strength and lower gait speed; slow gait speed and low income arose as risk factors for a worse health evaluation. Lower muscular strength affects the self-rated assessment of health because it results in a reduction in functional capacity, especially in the presence of poverty and a lack of compensatory factors.

Correlation Between Cephalometric Data And Severity Of Sleep Apnea.

Obstructive sleep apnea syndrome has a high prevalence among adults. Cephalometric variables can be a valuable method for evaluating patients with this syndrome. To correlate cephalometric data with the apnea-hypopnea sleep index. We performed a retrospective and cross-sectional study that analyzed the cephalometric data of patients followed in the Sleep Disorders Outpatient Clinic of the Discipline of Otorhinolaryngology of a university hospital, from June 2007 to May 2012. Ninety-six patients were included, 45 men, and 51 women, with a mean age of 50.3 years. A total of 11 patients had snoring, 20 had mild apnea, 26 had moderate apnea, and 39 had severe apnea. The distance from the hyoid bone to the mandibular plane was the only variable that showed a statistically significant correlation with the apnea-hypopnea index. Cephalometric variables are useful tools for the understanding of obstructive sleep apnea syndrome. The distance from the hyoid bone to the mandibular plane showed a statistically significant correlation with the apnea-hypopnea index.

Censored Linear Regression Models For Irregularly Observed Longitudinal Data Using The Multivariate-t Distribution.

In acquired immunodeficiency syndrome (AIDS) studies it is quite common to observe viral load measurements collected irregularly over time. Moreover, these measurements can be subjected to some upper and/or lower detection limits depending on the quantification assays. A complication arises when these continuous repeated measures have a heavy-tailed behavior. For such data structures, we propose a robust structure for a censored linear model based on the multivariate Student's t-distribution. To compensate for the autocorrelation existing among irregularly observed measures, a damped exponential correlation structure is employed. An efficient expectation maximization type algorithm is developed for computing the maximum likelihood estimates, obtaining as a by-product the standard errors of the fixed effects and the log-likelihood function. The proposed algorithm uses closed-form expressions at the E-step that rely on formulas for the mean and variance of a truncated multivariate Student's t-distribution. The methodology is illustrated through an application to an Human Immunodeficiency Virus-AIDS (HIV-AIDS) study and several simulation studies.

[evaluation Of Data On Live Birth Certificates From The Information System On Live Births (sinasc) In Campinas, São Paulo, 2009].

To assess the completeness and reliability of the Information System on Live Births (Sinasc) data. A cross-sectional analysis of the reliability and completeness of Sinasc's data was performed using a sample of Live Birth Certificate (LBC) from 2009, related to births from Campinas, Southeast Brazil. For data analysis, hospitals were grouped according to category of service (Unified National Health System, private or both), 600 LBCs were randomly selected and the data were collected in LBC-copies through mothers and newborns' hospital records and by telephone interviews. The completeness of LBCs was evaluated, calculating the percentage of blank fields, and the LBCs agreement comparing the originals with the copies was evaluated by Kappa and intraclass correlation coefficients. The percentage of completeness of LBCs ranged from 99.8%-100%. For the most items, the agreement was excellent. However, the agreement was acceptable for marital status, maternal education and newborn infants' race/color, low for prenatal visits and presence of birth defects, and very low for the number of deceased children. The results showed that the municipality Sinasc is reliable for most of the studied variables. Investments in training of the professionals are suggested in an attempt to improve system capacity to support planning and implementation of health activities for the benefit of maternal and child population.