Comparison between empirical protein force fields for the simulation of the adsorption behavior of structured LK peptides on functionalized surfaces

All-atom empirical molecular mechanics protein force fields, which have been developed to represent the energetics of peptide folding behavior in aqueous solution, have not been parameterized for protein interactions with solid material surfaces. As a result, their applicability for representing the adsorption behavior of proteins with functionalized material surfaces should not be assumed. To address this issue, we conducted replica-exchange molecular dynamics simulations of the adsorption behavior of structured peptides to functionalized surfaces using three protein force fields that are widely used for the simulation of peptide adsorption behavior: CHARMM22, AMBER94, and OPLS-AA. Simulation results for peptide structure both in solution and when adsorbed to the surfaces were compared to experimental results for similar peptide-surface systems to provide a means of evaluating and comparing the performance of these three force fields for this type of application. Substantial differences in both solution and adsorbed peptide conformations were found amongst these three force fields, with the CHARMM22 force field found to most closely match experimental results.     

Linking temperate demersal fish species to habitat: scales,patterns and future directions

Adoption of the ecosystem approach to fisheries management relies on recognition of the link between fish and other components of the ecosystem, namely their physical and biological habitat. However, identifying the habitat requirements of marine fishes and hence determining their distribution in space and time is scientifically complex. We analysed the methodologies and findings of research on temperate, demersal fish habitat requirements to highlight the main developments in this field and to identify potential shortfalls. Many studies were undertaken over large spatial scales (≥100s km²) and these generally correlated abundances of fish to abiotic variables. Biological variables were accounted for less often. Small spatial scale (≤m²), experimental studies were comparatively sparse and commonly focused on biotic variables. Whilst the number of studies focusing on abiotic variables increased with increasing spatial scale, the proportion of studies finding significant relationships between habitat and fish distribution remained constant. This mismatch indicates there is no justification for the tendency to analyse abiotic habitat variables at large spatial scales. Innovative modelling techniques and habitat mapping technologies are developing rapidly, providing new insights at the larger spatial scales. However, there is a clear need for a reduction in study scale, or increase in resolution additional to the integration of biotic variables. We argue that development of sound predictive science in the field of demersal fish habitat determination is reliant on a change in focus along these lines. This is especially important if spatial management strategies, such as Marine Protected Areas (MPA) or No Take Zones (NTZ), are to be used in future ecosystem‐based approaches to fisheries management.     

Influence of imidacloprid seed treatments on rice germination and early seedling growth

BACKGROUND: Seed treatments with the chloronicotinyl insecticide imidacloprid (Gaucho 600 FS) were evaluated to determine whether differences in concentration and exposure regime influence the germination and early growth of rice. RESULTS: Continuous exposure to imidacloprid (4 days at 2000 mg AI L(-1)) significantly (P < 0.001) reduced normal germination by an average of 18% across the 15 cultivars examined. Nine days after sowing, plants showed no adverse effects from continuous imidacloprid treatment during germination, with shoot lengths and root system dry weights equalling, or occasionally exceeding (P < 0.05), those of untreated plants. Short-term imidacloprid exposure (2 h at 2000 mg L(-1)) at initial seed wetting did not affect germination (P > 0.05), and short-term (1 h) exposure of 48 h pregerminated seed to imidacloprid (2000 mg L(-1)) similarly had no significant effect on early subsequent growth. Plants arising from 48 h pregerminated seed exposed to imidacloprid (1 h) at concentrations up to 4000 mg L(-1) immediately before sowing were not significantly different from control plants at either 9 or 25 days post-sowing. CONCLUSION: Results show that imidacloprid will have no adverse effects on plant growth if applied to pregerminated rice shortly before sowing. Continuous exposure of seed during germination had more pronounced effects, and the initial response of different cultivars was highly variable. Cultivars with high levels of sensitivity (such as IR72) require further testing before continuous exposure to imidacloprid during germination can be recommended.     

Knowledge, attitudes and practices of farmers on rodent pests and their management in the lowlands of the Sierra Madre Biodiversity Corridor, Philippines

A survey of the knowledge, attitudes and practices (KAP) of 100 rice farmers and 50 coconut farmers was conducted in the coastal lowland agro-ecosystems of the Sierra Madre Biodiversity Corridor, Luzon, Philippines to identify current rodent management practices and to understand the extent of rat damage and the attitudes of farmers to community actions for rodent management. Pests were most commonly listed as one of the three most important rice and coconut production constraints. Other major crop production constraints were typhoons and insufficient water. Farmers consider rats to be the major pest of coconut and of rice during the wet season rice crop, with average yield losses of 3.0% and 13.2%, respectively. Rice and coconut farmers practised a wide range of rodent management techniques. These included scrub clearance, hunting and trapping. Of the 42 rice farmers and 3 coconut farmers that applied rodenticides to control rodents, all used the acute rodenticide, zinc phosphide. However, only ten rice farmers (23.8%) applied rodenticides prior to the booting stage and only seven farmers (15.6%) conducted pre-baiting before applying zinc phosphide. The majority of farmers belonged to farmer organisations and believed that rat control can only be done by farmers working together. However, during the last cropping season, less than a third of rice farmers (31.2%) applied rodent management as a group. In order to reduce the impact of rodents on the farmers of the coastal lowlands of the Sierra Madre Biodiversity Corridor, integrated management strategies need to be developed that specifically target the pest rodents in a sustainable manner, and community actions for rodent management should be promoted.     

A decade of leafminer invasion in China: lessons learned

Liriomyza trifolii (Burgess) is a highly invasive species that has become established in agricultural and ornamental crops throughout the world. L. trifolii was first recorded in China in 2005 in Guangdong Province. Subsequently, its known distribution in China has rapidly expanded to another 11 provinces (Zhejiang, Jiangsu, Shanghai, Fujian, Guangxi, Shandong, Hainan, Hebei, Henan, Hubei and Anhui), where it is currently causing considerable damage and economic losses. Experimental research and field surveys have contributed to our understanding of the ecology of L. trifolii and particularly the process of invasion and its interactions with other established, exotic Liriomyza leafminer species. A number of factors have contributed to the successful establishment of L. trifolii and displacement of interspecific competitors. In China, L. trifolii has become a particularly devastating pest in areas with intensive farming with extensive monocultures and a reliance on insecticide use. Integrated pest management incorporating judicious applications of insecticide combined with biological and cultural controls is likely to provide the best long‐term management strategy for L. trifolii. We provide information regarding 10 years of L. trifolii invasion in China and discuss areas of future research to enhance our overall understanding of the biology and ecology of L. trifolii and to improve management programmes for this widespread invasive insect pest. © 2017 Society of Chemical Industry     

Selective control of mite and collembolan pests of pastures and grain crops in Australia

Control of invertebrate pests in broad-acre agriculture largely relies on the application of broad-spectrum pesticides, however resistance problems and environmental concerns are driving a search for alternatives including more selective products. Here we explore the feasibility of using novel chemical groupings in the control of problematic pests that attack germinating pastures and grain crops in Australia. A modified laboratory bioassay is described for testing the response of several invertebrate pests to pesticides that have contact and systemic/translaminar properties. Two contact pesticides (fenitrothion and gamma-cyhalothrin) and three pesticides with strong systemic/translaminar properties (lambda-cyhalothrin, abamectin and diafenthiuron) showed promise for control of the collembolan Sminthurus viridis and four mite pests (Halotydeus destructor, Balaustium medicagoense, Penthaleus falcatus and Bryobia sp.). No single pesticide emerged as the most efficacious against all these pests, highlighting the need for correct pest identification before making control recommendations. Incorporating these new chemical options into pest control programs may help to control emerging pests and counter pesticide resistance issues. Selective pesticides in particular are likely to be compatible with integrated control programs that promote the establishment and maintenance of beneficial natural enemies.     

Dynamics of magnetic domain walls under their own inertia

The motion of magnetic domain walls induced by spin-polarized current has considerable potential for use in magnetic memory and logic devices. Key to the success of these devices is the precise positioning of individual domain walls along magnetic nanowires, using current pulses. We show that domain walls move surprisingly long distances of several micrometers and relax over several tens of nanoseconds, under their own inertia, when the current stimulus is removed. We also show that the net distance traveled by the domain wall is exactly proportional to the current pulse length because of the lag derived from its acceleration at the onset of the pulse. Thus, independent of its inertia, a domain wall can be accurately positioned using properly timed current pulses.     

Heterogeneity of Staphylococcus pseudintermedius isolates from atopic and healthy dogs

Staphylococcus pseudintermedius is part of the normal canine flora but frequently causes pyoderma in canine atopic dermatitis (AD). This study aimed to determine whether particular S. pseudintermedius strains were associated with AD and/or pyoderma. Ninety‐six S. pseudintermedius isolates from the ear, nares, perineum and lesions of 21 atopic and 16 healthy dogs were lysed with proteinase K and digested with 40 U SmaI. Restriction products were separated using pulsed‐field gel electrophoresis (PFGE) with an Oxford S. aureus control and lambda‐ladder DNA concatomer markers. A dendrogram was constructed by the unweighted pair group method. All isolates showed a ≥56% similarity coefficient. Nine distinct PFGE clusters were identified, as follows: five from both atopic and healthy dogs; three from atopic dogs only; and one from healthy dogs only. Nine clusters were isolated from the nares, eight from the perineum, five from the ears and six from pyoderma lesions. There were no significant differences in the frequency of isolation from atopic or healthy skin, body sites or infected lesions for any of the clusters. Two of six healthy dogs and 18 of 20 atopic dogs with multiple isolates had closely related isolates (less than three band differences) at more than one sampling site. Isolates from pyoderma lesions were closely related to at least one mucosal isolate in 11 of 16 dogs. Staphylococcus pseudintermedius isolates appear to be heterogeneous, and colonization or infection of atopic skin was not associated with any particular strain or cluster of strains.     

Meniscal Mineralization in Domestic Cats

Objective: To (1) determine prevalence of radiographically detectable meniscal mineralization in domestic cats and (2) to evaluate the association between meniscal mineralization and degenerative joint disease (DJD). Study Design: Prospective study. Animals: Client‐owned cats (n=100) and 30 feline cadavers. Methods: Randomly selected client‐owned cats were used to determine the prevalence of meniscal mineralization. Stifles from feline cadavers were used to evaluate the relationship between meniscal mineralization (using high‐resolution X‐ray), radiographic DJD, and cartilage damage. Menisci were evaluated histologically. Results: Forty‐six percent of the client‐owned cats had meniscal mineralization detected in 1 or both stifles. Pain scores were not significantly different between stifles with meniscal mineralization and those with no radiographic pathology (P=.38). Thirty‐four of 57 cadaver stifles had meniscal mineralization, which was always located in the cranial horn of the medial meniscus. Percentage mineralization of the menisci was significantly correlated with the cartilage damage score of the medial femoral (r²=0.6; P<.0001) and tibial (r²=0.5; P<.0001) condyles as well as with the total joint cartilage damage (r²=0.36; P<.0001) score and DJD score (r²=0.8; P<.0001). Conclusion: Meniscal mineralization is a common condition in domestic cats and seems to indicate medial compartment DJD. Clinical Relevance: Clinical significance of meniscal mineralization is uncertain. Further work is needed to determine if the meniscal mineralization is a cause, or a consequence of joint degeneration.