The Limiting Density of Unit Root Test Statistics: A Unifying Technique

In this note we introduce a simple principle to derive a constructive expression for the density of the limiting distribution, under the null hypothesis, of unit root statistics for an AR(1)-process in a variety of situations. We consider the case of unknown mean and reconsider the well-known situation where the mean is zero. For long-range dependent errors we indicate how the principle might apply again. We also show that in principle the method also works for a near unit root case. Weak convergence and subsequent Karhunen-Loeve expansion of the weak limit of the partial sum process of the errors plays an important role, along with the evaluation of a certain normal type integral with complex mean and variance. For independent and long range dependent errors this weak limit is ordinary and fractional Brownian motion respectively.
AMS 1991 subject classification. Primary 62M10; secondary 62E20.     

Modification of dextran through the grafting of N‐vinyl‐2‐pyrrolidone and studies of physicochemical phenomena in terms of metal‐ion uptake,swelling capacity,and flocculation

The optimum conditions for grafting N‐vinyl‐2‐pyrrolidone onto dextran initiated by a peroxydiphosphate/thiourea redox system were determined through the variation of the concentrations of N‐vinyl‐2‐pyrrolidone, hydrogen ion, potassium peroxydiphosphate, thiourea, and dextran along with the time and temperature. The grafting ratio increased as the concentration of N‐vinyl‐2‐pyrrolidone increased and reached the maximum value at 24 × 10^?2 mol/dm³. Similarly, when the concentration of hydrogen ion increased, the grafting parameters increased from 3 × 10^?3 to 5 × 10^?3 mol/dm³ and attained the maximum value at 5 × 10^?3 mol/dm³. The grafting ratio, add‐on, and efficiency increased continuously with the concentration of peroxydiphosphate increasing from 0.8 × 10^?2 to 2.4 × 10^?2 mol/dm³. When the concentration of thiourea increased from 0.4 × 10^?2 to 2.0 × 10^?2 mol/dm³, the grafting ratio attained the maximum value at 1.2 × 10^?2 mol/dm³. The grafting parameters decreased continuously as the concentration of dextran increased from 0.6 to 1.4 g/dm³. An attempt was made to study some physicochemical properties in terms of metal‐ion sorption, swelling, and flocculation. Dextran‐g‐N‐vinyl‐2‐pyrrolidone was characterized with infrared spectroscopy and thermogravimetric analysis. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008     

Swelling Deswelling Behavior of PS‐PNIPAAM Copolymer Particles and PNIPAAM Brushes Grafted from Polystyrene Particles & Monoliths

Two sets of emulsion particles have been synthesized. In the first set, surfactant free emulsion was used to directly synthesize PS‐PNIPAAM copolymer particles. In the second set, polystyrene particles with an ATRP initiator shell were first synthesized and subsequently grafted with PNIPAAM brushes. Swelling/deswelling behavior of both sets of particles was studied with respect to temperature and time. Monoliths with two different porosities were also formed by grafting and crosslinking of PNIPAAM chains on the aggregated particles and characterized. In all cases, swelling kinetics is sufficiently fast to use these supports for separation driven by temperature changes only. However, hindrance and cross‐linking is sensibly reducing the material performance.

     

Computational Investigation Identified Potential Chemical Scaffolds for Heparanase as Anticancer Therapeutics

Heparanase (Hpse) is an endo-β-D-glucuronidase capable of cleaving heparan sulfate side chains. Its upregulated expression is implicated in tumor growth, metastasis and angiogenesis, thus making it an attractive target in cancer therapeutics. Currently, a few small molecule inhibitors have been reported to inhibit Hpse, with promising oral administration and pharmacokinetic (PK) properties. In the present study, a ligand-based pharmacophore model was generated from a dataset of well-known active small molecule Hpse inhibitors which were observed to display favorable PK properties. The compounds from the InterBioScreen database of natural (69,034) and synthetic (195,469) molecules were first filtered for their drug-likeness and the pharmacophore model was used to screen the drug-like database. The compounds acquired from screening were subjected to molecular docking with Heparanase, where two molecules used in pharmacophore generation were used as reference. From the docking analysis, 33 compounds displayed higher docking scores than the reference and favorable interactions with the catalytic residues. Complex interactions were further evaluated by molecular dynamics simulations to assess their stability over a period of 50 ns. Furthermore, the binding free energies of the 33 compounds revealed 2 natural and 2 synthetic compounds, with better binding affinities than reference molecules, and were, therefore, deemed as hits. The hit compounds presented from this in silico investigation could act as potent Heparanase inhibitors and further serve as lead scaffolds to develop compounds targeting Heparanase upregulation in cancer.     

Field Investigations for Sustainable Groundwater Utilization in the Konan Basin

The Konan groundwater basin of Kochi Prefecture, Japan, is experiencing freshwater shortages for the past few years, particularly during the winter season. The present study aimed at analyzing the problem and exploring increased groundwater withdrawals to meet burgeoning freshwater demands in various sectors. The trend analysis of waterconsumption indicates that the groundwater demandwould increase by 43 and 52% by the years 2010 and2025, respectively, compared to 32 100 m³ d^-1 at present.The streamflow of the Monobe River reduces to a minimumin winter and it shows a decreasing trend in recentyears. The geologic investigation results indicatethat unconfined (phreatic) aquifers comprisingalluvial sand and gravel and/or diluvial silty sandand gravel are dominant, and that the northwestern andwestern portions of the basin have greater potentialfor groundwater. Groundwater flows essentially fromnorth to south into the ocean. Groundwater levelfluctuations over the basin vary appreciably in spaceand time, indicating a wide variation of naturalrecharge. Field observations confirm the hypothesisthat stream-aquifer interaction also significantlycontributes to groundwater recharge, besides therainfall infiltration. Further, the pumping testsresults demonstrate that though the aquifers arelow-yielding, enhanced groundwater withdrawals couldbe possible. The aquifer hydraulic conductivity ischaracterized as high and ranges from 65 to 804 m d^-1(mean = 229 m d^-1), thereby suggesting great aquiferheterogeneity. Finally, it is concluded that thelong-term sustainability of the scarce groundwaterresource of the Konan basin is doubtful, and that acomprehensive analysis of the groundwater system isessential prior to formulating plans for the futuregroundwater development and management.     

Determining Hydraulic Characteristics of Production Wells using Genetic Algorithm

Proper well management requires the determination of characteristic hydraulic parameters of production wells such as well loss coefficient (C) and aquifer loss coefficient (B), which are conventionally determined by the graphical analysis ofstep-drawdowntest data. However, in the present study, the efficacy of a non-conventional optimization technique called Genetic Algorithm (GA), which ensures near-optimal or optimal solutions, is assessedin determining well parameters from step-drawdown test data. Computer programs were developed to optimize the well parametersby GA technique for two cases: (i) optimization of B and C only, and (ii) optimization of B, C and p (exponent) as well as to evaluate the well condition. The reliability and robustness of the developed computer programs were tested usingnine sets of published and unpublished step-drawdown data from varying hydrogeologic conditions. The well parameters obtained by the GA technique were compared with those obtained by the conventional graphical method in terms of root mean square error(RMSE) and visual inspection. It was revealed that the GA technique yielded more reliable well parameters with significantlylow values of RMSE for almost all the datasets, especially in caseof three-variable optimization. The optimal values of the parametersB, C and p for the nine datasets were found to range from 0.382 to 2.292 min m^-2, 0.091 to 3.262, and 1.8 to 3.6, respectively. Because of a wide variation of p, the GA techniqueresulted in considerably different but dependable and robust well parameters as well as well specific capacity and well efficiency compared to the graphical method. The condition of three wells was found to be good, one well bad and that of the remaining five wells satisfactory. The performance evaluation of the developed GA code indicated that a proper selection of generation number and population size is essential to ensure efficient optimization. Furthermore,a sensitivity analysis of the obtained optimal parameters demonstrated that the GA technique resulted in a unique set ofthe parameters for all the nine datasets. It is concluded thatthe GA technique is an effective and reliable numerical tool for determining the characteristic hydraulic parameters of production wells.     

Groundwater management and development by integrated remote sensing and geographic information systems: prospects and constraints

Groundwater is one of the most valuable natural resources, which supports human health, economic development and ecological diversity. Overexploitation and unabated pollution of this vital resource is threatening our ecosystems and even the life of future generations. With the advent of powerful personal computers and the advances in space technology, efficient techniques for land and water management have evolved of which RS (remote sensing) and GIS (geographic information system) are of great significance. These techniques have fundamentally changed our thoughts and ways to manage natural resources in general and water resources in particular. The main intent of the present paper is to highlight RS and GIS technologies and to present a comprehensive review on their applications to groundwater hydrology. A detailed survey of literature revealed six major areas of RS and GIS applications in groundwater hydrology: (i) exploration and assessment of groundwater resources, (ii) selection of artificial recharge sites, (iii) GIS-based subsurface flow and pollution modeling, (iv) groundwater-pollution hazard assessment and protection planning, (v) estimation of natural recharge distribution, and (vi) hydrogeologic data analysis and process monitoring. Although the use of these techniques in groundwater studies has rapidly increased since early nineties, the success rate is very limited and most applications are still in their infancy. Based on this review, salient areas in need of further research and development are discussed, together with the constraints for RS and GIS applications in developing nations. More and more RS- and GIS-based groundwater studies are recommended to be carried out in conjunction with field investigations to effectively exploit the expanding potential of RS and GIS technologies, which will perfect and standardize current applications as well as evolve new approaches and applications. It is concluded that both the RS and GIS technologies have great potential to revolutionize the monitoring and management of vital groundwater resources in the future, though some challenges are daunting before hydrogeologists/hydrologists.