Atomistic Simulation of Stacked Nucleosome Core Particles: Tail Bridging, the H4 Tail, and Effect of Hydrophobic Forces

We report the first atomistic simulation of two stacked nucleosome core particles (NCPs), with an aim to understand, in molecular detail, how they interact, the effect of salt concentration, and how different histone tails contribute to their interaction, with a special emphasis on the H4 tail, known to have the largest stabilizing effect on the NCP-NCP interaction. We do not observe specific K16-mediated interaction between the H4 tail and the H2A-H2B acidic patch, in contrast with the findings from crystallographic studies, but find that the stacking was stable even in the absence of this interaction. We perform simulations with the H4 tail (partially/completely) removed and find that the region between LYS-16 and LYS-20 of the H4 tail holds special importance in mediating the inter-NCP interaction. Performing similar tail-clipped simulations with the H3 tail removed, we compare the roles of the H3 and H4 tails in maintaining the stacking. We discuss the relevance of our simulation results to the bilayer and other liquid-crystalline phases exhibited by NCPs in vitro and, through an analysis of the histone-histone interface, identify the interactions that could possibly stabilize the inter-NCP interaction in these columnar mesophases. Through the mechanical disruption of the stacked nucleosome system using steered molecular dynamics, we quantify the strength of inter-NCP stacking in the presence and absence of salt. We disrupt the stacking at some specific sites of internucleosomal tail-DNA contact and perform a comparative quantification of the binding strengths of various tails in stabilizing the stacking. We also examine how hydrophobic interactions may contribute to the overall stability of the stacking and find a marked difference in the role of hydrophobic forces as compared with electrostatic forces in determining the stability of the stacked nucleosome system.

Complex potentials and singular integral equation for curve crack problem in antiplane elasticity

Four types of the fundamental complex potential in antiplane elasticity are introduced: (a) a point dislocation, (b) a concentrated force, (c) a dislocation doublet and (d) a concentrated force doublet. It is proven that if the axis of the concentrated force doublet is perpendicular to the direction of the dislocation doublet, the relevant complex potentials are equivalent. Using the obtained complex potentials, a singular integral equation for the curve crack problem is introduced. Some particular features of the obtained singular integral equation are discussed, and numerical solutions and examples are given.

Ab initio pair potentials at metal-ceramic interfaces

A systematic approach is proposed to obtain the interfacial interatomic potentials. By inverting ab initio adhesive energy curves for the metal-MgO ceramic interfaces, We derive interfacial potentials between Ag and O2-, Ag and Mg2+, Al and O2-, Al and Mg2+. The interfacial potentials, obtained from this method, demonstrate general features of bondings between metal atoms and ceramic ions.

Nano-Tribological Study on a Super-Hydrophobic Film Formed on Rough Aluminum

A novel super-hydrophobic stearic acid (STA) film with a water contact angle of 166° was prepared by chemical adsorption on aluminum wafer coated with polyethyleneimine (PEI) film. The micro-tribological behavior of the super-hydrophobic STA monolayer was compared with that of the polished and PEI-coated Al surfaces. The effect of relative humidity on the adhesion and friction was investigated as well. It was found that the STA monolayer showed decreased friction, while the adhesive force was greatly decreased by increasing the surface roughness of the Al wafer to reduce the contact area between the atomic force microscope (AFM) tip and the sample surface to be tested. Thus the friction and adhesion of the Al wafer was effectively decreased by generating the STA monolayer, which indicated that it could be feasible and rational to prepare a surface with good adhesion resistance and lubricity by properly controlling the surface morphology and the chemical composition. Both the adhesion and friction decreased as the relative humidity was lowered from 65% to 10%, though the decrease extent became insignificant for the STA monolayer.

Quantum and variational monte-carlo interaction potentials for li2 (x1-sigma-g+)

Optimized trial functions are used in quantum Monte Carlo and variational Monte Carlo calculations of the Li₂(X ¹Σ⁺_g) potential curve. The trial functions used are a product of a Slater determinant of molecular orbitals multiplied by correlation functions of electron—nuclear and electron—electron separation. The parameters of the determinant and correlation functions are optimized simultaneously by reducing the deviations of the local energy E_L (E_L  Ψ⁻¹_THΨ_T, where Ψ_T denotes a trial function) over a fixed sample. At the equilibrium separation, the variational Monte Carlo and quantum Monte Carlo methods recover 68% and 98% of the correlation energy, respectively. At other points on the curves, these methods yield similar accuracies.

DNS and LES of turbulent channel flow with hydrophobic surface

Hydrophobic surface benefits for drag reduction. Min and Kim[1] do the first Direct Numerical Simulation on drag reduction in turbulent channel flow. And Fukagata and Kasagi[2] make some theoretical analysis based on Dean[3]'s formula and some observations in the DNS results. Using their theory, they conclude that drag reduction is possible in large Reynolds number. Both Direct Numerical Simulation (DNS) and Large Eddy Simulation (LES) are performed in our research. How the LES behaving in the turbulent channel flow with hydrophobic surface is examined. Original Smagorinsky model and its Dynamical model are used in LES. The slip velocities predicted by LES using Dynamical model are in good agreement with DNS as shown in the Figure. Although the percentage of drag reduction predicted by LES shows some discrepancies, it is in the error limit for industrial flow. First order and second order moments of LES are also examined and compared with DNS's results. The first-order moments is calculated well by LES. But there are some discrepancies of second-order moments between LES and DNS. [GRAPHICS]

Subdiffusion of nonlinear waves in quasiperiodic potentials

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A summary of the inventory survey of Nigeria inland waters and preliminary estimates of their fish yield potentials

A summary of the inventory survey of Nigeria inland waters is presented. The survey reveals that Kano State tops the list in reservoir development with an existing water surface area of about 42,773 ha, while Anambra State has the least with about 38 hectares. No reservoir was recorded for Lagos and Rivers States. However, in aspects of existing fish ponds, a total of about 471 ha was recorded for Plateau State and about 5 ha for Niger State. Preliminary estimates of Nigeria's fish yield potentials based on established production records of comparable water bodies in the tropics, at different levels of management, show that the available water mass in the country, estimated at about 12.5 million hectares, could yield a minimum of about 334,214 metric tonnes (m.t.) of fish per annum with little or no management and a maximum of about 511,703 metric tonnes per annum with adequate management. Comparison of the potential yields from inland sources with the projected fish production in Nigeria (1981-1985) based on supply and demand statistics shows that potential yield from inland sources even at a low level of management is relatively higher than the projected inland production and more than double the observed production. The variation between the potential and the observed fish yields in the country has been attributed to the absolute lack of management strategies for our various inland waters. The paper elaborates on possible management strategies for various categories of inland waters as a prelude towards increased fish production in the country

Potentials for fisheries in the Niger Delta: Another green light for self sufficiency in regional food production

A discussion is presented on the potential for fishery development in the Niger Delta region, considering engineering activities and food production potentials of the freshwater zone and immediate hinterland, the brackishwater mangrove swamps and the estuaries. An examination of current trends in the environment indicates that a possible solution to improved exploitation of the region lies in hydraulic engineering, the manipulation of environmental conditions through varying freshwater and seawater inputs so as to increase aquatic and wetland productivity

Present status and potentials of inshore and offshore pelagic fisheries in the capture and processing industries of Nigeria

Apart from activities of some foreign-based vessels, commercial exploitation of pelagic fishery resources in Nigeria has been limited to inland and inshore waters. Estimated potential for the inshore pelagic fishery is 70,000-90,000 tonnes while the small pelagic resources in the near offshore as well as tuna and tuna-like fishes further offshore have potentials of about 10,000 metric tonnes each. Despite the abundance of tuna within and adjoining the Nigerian EEZ, and its importance in the international market, only foreign-flagged vessels take advantage. In addition, the inshore pelagic fisheries in Nigeria have for long remained underexploited. The most common processing method has remained the age-old traditional smoke-drying, which is inadequate resulting in colossal waste through denaturation and incessant infestations by insects and moulds among other causes. The use of modern smoking techniques coupled with effective distribution systems can undoubtedly reduce waste. However, these are often not within the reach of most artisanal processors. It is proposed that the organised private sector should invest on simple but proven processing equipment such as smoking kilns. The inshore pelagic fish species and other small fishes can sustain cottage canning industries sited in fishing villages/settlements while larger canning factories should be based on offshore resources. Modalities for successful investments are highlighted, while a major consideration is given to joint ventures

Artisanal canoe fishing industry of the Rivers State: its economic viability and investment potentials

Consequent upon the present national call in Nigeria for all to go back to agriculture including fishing, most retrenched workers and unemployed youths from the riverine areas are taking up fishing as a legitimate and gainful livelihood. To sustain this tempo and attract more investment, the economic viability of such projects must be known. This study is an attempt to document the profitability and investment potential of artisanal canoe fishing. Socio-economic information including catches, operational cost and returns were obtained through a personal interview questionnaire survey of 240 randomly selected artisanal canoe fishermen from Bonny, Brass and Degema Local Government Areas (LGA) of the State and analyzed. With an investment cost of about 8,135, 8,490 and 6,571 and operation cost of 750, 776 and 627, the analysis showed an average monthly gross income of 1,869, 3,221 and 1,775 for the three local government areas respectively. A benefit-cost-ratio of 1:8, net present value of 400, 603 and internal rate of return greater than 50% were obtained. Since capital invested in fisheries is not tied up for long before benefits start flowing, coupled with the high IRR, it is concluded that artisanal canoe fishing would be an economically viable venture if well managed

The potentials for commercial production of fish feeds in Nigeria

Studies in fish feed technology revealed that there is a potential for big time investment into fish feed production and marketing in view of the growing awareness of fish farming in Nigeria. Intensification of aquaculture is one of the primary methods of food (finfish) production which requires technical knowledge and expertise in the formulation and manufacture of adequate feeds for the cultured species. Studies also revealed that all sort of food items were used by fish farmers ranging from animal dung, groundnut cake etc, to culture fish to table size because of non-availability of rightly prepared feeds. Inadequate knowledge of detailed requirements of tropical cultured species was found to pose a hindrance to formulation despite the fact that a lot has been accumulated in terms of biochemical and nutritive values of food sources in Nigeria. The investigation further revealed the challenges posed to researchers in aquaculture, fish nutritionists and fisheries biologists among others to elucidate the complete requirements of local fish species in terms of their protein, lipid and carbohydrate requirements such that their patents could be made available to companies like PFIZER, IBRU etc, and individuals alike to make commercialization of fish feeds a reality