bluuebunny/crossref_metadata_2025_split huggingface dataset:
Extremely rapid acclimation of Escherichia coli to high temperature over a few generations of a fed‐batch culture during slow warming
Authors: Guyot Stéphane , Pottier Laurence , Hartmann Alain , Ragon Mélanie , Hauck Tiburski Julia , Molin Paul , Ferret Eric , Gervais Patrick 
Published: December 2013

AbstractThis study aimed to demonstrate that adequate slow heating rate allows two strains of Escherichia coli rapid acclimation to higher temperature than upper growth and survival limits known to be strain‐dependent. A laboratory (K12‐TG1) and an environmental (DPD3084) strain of E. coli were subjected to rapid (few seconds) or slow warming (1°C 12 h−1) in order to (re)evaluate upper survival and growth limits. The slow warming was applied from the ancestral temperature 37°C to total cell death 46–54°C: about 30 generations were propagated. Upper survival and growth limits for rapid warming (46°C) were lower than for slow warming (46–54°C). The thermal limit of survival for slow warming was higher for DPD3084 (50–54°C). Further experiments conducted on DPD3084, showed that mechanisms involved in this type of thermotolerance were abolished by a following cooling step to 37°C, which allowed to imply reversible mechanisms as acclimation ones. Acquisition of acclimation mechanisms was related to physical properties of the plasma membrane but was not inhibited by unavoidable appearance of aggregated proteins. In conclusion, E.coli could be rapidly acclimated within few generations over thermal limits described in the literature. Such a study led us to propose that rapid acclimation may give supplementary time to the species to acquire a stable adaptation through a random mutation.
Assessing Different Possibilities for the Reuse of an Open‐pit Quarry Using the Choquet Integral
Authors: Bottero Marta , Ferretti Valentina , Pomarico Silvia 
Published: December 2013

ABSTRACTMultiple criteria decision analysis is a valuable and increasingly widely‐used tool to support decision‐making processes where there is a choice to be made between different options. This approach is particularly useful in the context of sustainability assessment where a complex and interconnected range of environmental, social and economic issues must be taken into consideration and where objectives are often competing.It has been generally agreed that when dealing with sustainability issues, neither an economic reductionism nor an ecological one is possible. Because in general, economic sustainability has an ecological cost, and because ecological sustainability has an economic cost, an integrative framework such as multicriteria evaluation is needed for tackling sustainability issues properly. In this sense, the analysis of the possible interactions among the elements is of particular importance for assessing the sustainability of a certain transformation.Within this context, a very important role is played by the ‘non‐additive measurement theory’, that makes use of the Choquet integral. This last represents the generalization of the weighted average method and provides a computational structure for aggregating information, taking into account interactivity between criteria.The present paper proposes a multicriteria approach that is able to support decision makers in the choice of the best solution for the reuse of an abandoned open‐pit quarry. Five alternative options have been compared based on different indicators that have been aggregated using the Choquet integral in order to obtain the global sustainability level of each solution and to better highlight the trade‐offs between the aspects involved in the decision. Copyright © 2013 John Wiley & Sons, Ltd.
Vehicle routing problems with regular objective functions on a path
Authors: Yu Wei , Liu Zhaohui 
Published: December 2013

AbstractWe investigate the problem of scheduling a fleet of vehicles to visit the customers located on a path to minimize some regular function of the visiting times of the customers. For the single‐vehicle problem, we prove that it is pseudopolynomially solvable for any minsum objective and polynomially solvable for any minmax objective. Also, we establish the NP‐hardness of minimizing the weighted number of tardy customers and the total weighted tardiness, and present polynomial algorithms for their special cases with a common due date. For the multivehicle problem involving n customers, we show that an optimal solution can be found by solving or O(n) single‐vehicle problems. © 2013 Wiley Periodicals, Inc. Naval Research Logistics 61: 34–43, 2014
Stability analysis for singularly perturbed differential equations by the upwind difference scheme
Authors: Li Zi Cai , Wei Yimin , Huang Hung Tsai , Chiang John Y. 
Published: December 2013

AbstractFor solving singularly perturbed differential equations (SPDE), the upwind difference scheme (UDS) and the fitted difference method are chosen. The local refinements of grids are adopted in singular layers with the minimal meshspacing , where h is the maximal meshspacing, and a very small parameter. The traditional condition number in 2‐norm is given by . For the infinitesimal in application, the huge Cond issues a dilemma regarding whether the numerical solutions by the UDS can be trusted. Although the UDS has been used for several decades, such a dilemma has not been clarified yet. The goal of this article is to clarify this dilemma. To this end, we solicit the effective condition number Cond_eff in Li et al. Numer Linear Algebra Appl 15 (2008), 575–690 Effective condition for Numerical Partial Different Equation, 2013, and develop a new actual condition number from the maximum principle. Both of them may offer much smaller bounds of the solution errors caused by perturbation, e.g., rounding, truncation, or discritization errors. We study the Dirichlet problems of SPDE by the UDS in a rectangle. When the Dirichlet boundary condition on the downwind side is homogeneous, we derive . When the entire Dirichlet boundary conditions are homogeneous, the extraordinary bound, , is achieved. Moreover, we derive the actual condition numbers as and for the homogeneous and the nonhomogeneous SPDE, respectively. Note that these bounds do not depend on ε; this is distinct from the traditional Cond. Based on the analysis of this article, the existing dilemma caused by Cond has been removed, to grant a good stability of the UDS for SPDE. © 2013 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 30: 1595–1613, 2014
Constant pH molecular dynamics of proteins in explicit solvent with proton tautomerism
Authors: Goh Garrett B. , Hulbert Benjamin S. , Zhou Huiqing , Brooks Charles L. 
Published: December 2013

ABSTRACTpH is a ubiquitous regulator of biological activity, including protein‐folding, protein‐protein interactions, and enzymatic activity. Existing constant pH molecular dynamics (CPHMD) models that were developed to address questions related to the pH‐dependent properties of proteins are largely based on implicit solvent models. However, implicit solvent models are known to underestimate the desolvation energy of buried charged residues, increasing the error associated with predictions that involve internal ionizable residue that are important in processes like hydrogen transport and electron transfer. Furthermore, discrete water and ions cannot be modeled in implicit solvent, which are important in systems like membrane proteins and ion channels. We report on an explicit solvent constant pH molecular dynamics framework based on multi‐site λ‐dynamics (CPHMDMSλD). In the CPHMDMSλD framework, we performed seamless alchemical transitions between protonation and tautomeric states using multi‐site λ‐dynamics, and designed novel biasing potentials to ensure that the physical end‐states are predominantly sampled. We show that explicit solvent CPHMDMSλD simulations model realistic pH‐dependent properties of proteins such as the Hen‐Egg White Lysozyme (HEWL), binding domain of 2‐oxoglutarate dehydrogenase (BBL) and N‐terminal domain of ribosomal protein L9 (NTL9), and the pKa predictions are in excellent agreement with experimental values, with a RMSE ranging from 0.72 to 0.84 pKa units. With the recent development of the explicit solvent CPHMDMSλD framework for nucleic acids, accurate modeling of pH‐dependent properties of both major class of biomolecules—proteins and nucleic acids is now possible. Proteins 2014; 82:1319–1331. © 2013 Wiley Periodicals, Inc.
Promoting the assembly of carbon onions: An atomistic approach
Authors: Adhikari Bibek , Muthuraman Balaji , Mathioudakis Christos , Fyta Maria 
Published: December 2013

AbstractAtomistic simulations at two levels, classical and quantum‐mechanical, are performed to probe the binding possibilities of the smallest multi‐shelled concentric fullerenes, known as “carbon onions”. We focus on the binding behavior of adjacent carbon onions and promote their binding through the addition of vacancies, as well as through doping with boron and nitrogen atoms. Molecular dynamics (MD) simulations are used to address the effect of different conditions of temperature and pressure on the binding of the onions and the thermal stability of the assembled structure. At a smaller scale, density‐functional theory (DFT) based calculations reveal the electronic structure of the coalesced carbon onions, their charge density and frontier orbitals. The effect of van der Waals forces is also evaluated using a tight‐binding scheme. Our main finding is that binding of adjacent carbon onions is promoted through the addition of vacancies and/or dopants on the outer surface of the carbon onions. The results are evaluated with respect to the relative distance between the adjacent carbon onions, the number of vacancies, and the amount or type of doping. We aim to optimize the conditions for assembling these nanoscale building blocks and understand their corresponding electronic properties in view of their potential in nano‐assembling novel functional nanomaterials. (a) Two adjacent small carbon onions repel each other, while the carbon onions merge when tuning the external conditions and introducing vacancies on the structures as revealed from quantum mechanical (b) and classical simulations (c), respectively.
Lambda transitions in materials science: Recent advances in CALPHAD and first‐principles modelling
Authors: Körmann Fritz , Breidi Abed Al Hasan , Dudarev Sergei L. , Dupin Nathalie , Ghosh Gautam , Hickel Tilmann , Korzhavyi Pavel , Muñoz Jorge A. , Ohnuma Ikuo 
Published: December 2013

AbstractThis paper provides a comprehensive overview of state‐of‐the‐art computational techniques to thermodynamically model magnetic and chemical order–disorder transitions. Recent advances as well as limitations of various approaches to these so‐called lambda transitions are examined in detail, focussing on calphad models and first‐principles methods based on density functional theory (DFT). On the one hand empirical implementations –based on the Inden–Hillert–Jarl formalism –are investigated, including a detailed interpretation of the relevant parameters, physical limiting cases and potential extensions. In addition, Bragg–Williams‐based approaches as well as cluster‐variation methods of chemical order–disorder transitions are discussed. On the other hand, it is shown how magnetic contributions can be introduced based on various microscopic model Hamiltonians (Hubbard model, Heisenberg model and beyond) in combination with DFT‐computed parameters. As a result of the investigation we were able to indicate similarities between the treatment of chemical and magnetic degrees of freedom as well as the treatment within the calphad and DFT approaches. Potential synergy effects resulting from this overlap have been derived and alternative approaches have been suggested, in order to improve future thermodynamic modelling of lambda transitions.
Self‐assembly of poly(3‐hexylthiophene) nanowire networks by a mixed‐solvent approach for organic field‐effect transistors
Authors: Zhu Zongpeng , Wei Bin , Wang Jun 
Published: December 2013

AbstractOrganic field‐effect transistors (OFETs) based on interconnected nanowire networks of P3HT have been successfully fabricated by using a mixed‐solvent method. The nanowire network density can be tuned by controlling the anisole/chlorobenzene ratio of mixed solvents. The obtained field‐effect mobility, threshold voltage and the ratio of on‐state current and off‐state current (Ion/Ioff) was 0.0435 cm2/V s, –10 V and 1.75 × 104, respectively. The three‐dimensional and interconnected nanowire structure of the networks can enhance the charge transport in P3HT.magnified image(© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Patterns of habitat use and selection by the capybara (Hydrochoerus hydrochaeris): a landscape‐scale analysis
Authors: Corriale María José , Herrera Emilio A. 
Published: December 2013

AbstractHabitat selection analysis provides useful information on how animals become distributed in response to spatial heterogeneity. Here, we analyze the habitat use and selection of different water bodies (marsh, swamps and round shallow lakes) by capybaras (Hydrochoerus hydrochaeris) and their relation to environmental variables during contrasting climate‐hydrological seasons in the Esteros del Iberá (Corrientes, Argentina). We evaluated the intensity of use by capybaras through the total number of individuals (abundance) in each water body, the number and mean size of social groups, and the physical and vegetation characteristics of the environment. The capybaras used marsh and swamps according to availability in both seasons, while they used rounded shallow lakes less than their available would suggest in summer. The use intensity of different rounded shallow lakes estimated based on group size did not show significant differences. In contrast, significant differences were observed when evaluated by the number of individuals in each rounded shallow lake. Different intensity of use was closely associated with environmental and vegetation characteristics. The results show that habitat suitability for capybaras is associated with vegetation cover and “embalsados” in the low‐lying area rather than with the morphometry of the rounded shallow lakes. The pattern of habitat selection may depend on forage quality, water availability for thermoregulation and mating, and presence of shelter and resting sites. On the other hand, the present study shows how the size, shape and the abundance of different types of water bodies affect population abundance and density.
Design and Surface/Interfacial Properties of Asymmetric Triazine Carboxyl Betaine Surfactants
Authors: Jing Lishuai , Qiao Weihong , Luo Limei , Peng Huan 
Published: December 2013

AbstractThe design, synthesis and interfacial behaviors of six asymmetric carboxyl betaine surfactants (BCm−n, m, n = 8, 10, 12, or 14, m ≠ n) derived from s‐triazine, which were prepared from cyanuric chloride, aliphatic amines, N,N‐dimethylpropane‐1,3‐diamine, followed by the reaction with sodium chloroacetate, are reported. The structures were confirmed by MS, 1H NMR and FT‐IR. Compared with symmetric surfactants (BCn−n, n = 8, 10, 12, or 14) we previously synthesized, the asymmetric series show superior surface activity. The γCMC of surfactants BC10−8, BC12−8, BC14−8 and BC12−10 is all below 30 mN/m. The minimum alkane carbon number of these ten surfactants is determined to be between 10 and 14. The interfacial behaviors between the alkanes and the solutions of triazine carboxyl betaine surfactants show that surfactants with a total carbon number in hydrophobic chains between 16 and 22 exhibit the ability to reduce the interfacial tension to an ultra‐low value (10−3 mN/m). The surfactants with longer hydrocarbon chains display strong affinity to the alkanes with longer chains.
Wavelength-dispersive X-ray Fluorescence Spectrometric Determination of Sc, V, Cr, Co, Ni, Cu, Zn, Rb, Sr, Y, Zr, Nb, Ba, Pb, and Th in Komatiites
Authors: Viswanathan S. , Rao K. Surya Prakash , Mahabaleswar B. 
Published: December 2013

Abstract
Komatiites are mantle-derived ultramafic volcanic rocks. Komatiites have been discovered in several States of India, notably in Karnataka. Studies on the distribution of trace-elements in the komatiites of India are very few. This paper proposes a simple, accurate, precise, rapid, and non-destructive wavelength-dispersive x-ray fluorescence (WDXRF) spectrometric technique for determining Sc, V, Cr, Co, Ni, Cu, Zn, Rb, Sr, Y, Zr, Nb, Ba, Pb, and Th in komatiites, and discusses the accuracy, precision, limits of detection, x-ray spectral–line interferences, inter-element effects, speed, advantages, and limitations of the technique.
The accuracy of the technique is excellent (within 3%) for Sc, V, Cr, Co, Ni, Cu, Zn, Rb, Sr, Zr, Nb, Ba, Pb, and Th and very good (within 4%) for Y. The precision is also excellent (within 3%) for Sc, V, Cr, Co, Ni, Cu, Zn, Rb, Sr, Y, Zr, Nb, Ba, Pb, and Th. The limits of detection are: 1 ppm for Sc and V; 2 ppm for Cr, Co, and Ni; 3 ppm for Cu, Zn, Rb, and Sr; 4 ppm for Y and Zr; 6 ppm for Nb; 10 ppm for Ba; 13 ppm for Pb; and 14 ppm for Th. The time taken for determining Sc, V, Cr, Co, Ni, Cu, Zn, Rb, Sr, Y, Zr, Nb, Ba, Pb, and Th in a batch of 24 samples of komatiites, for a replication of four analyses per sample, by one operator, using a manual WDXRF spectrometer, is only 60 hours.
Landslide Hazard Zonation in and around Thodupuzha–Idukki–Munnar Road, Idukki District, Kerala: A Geospatial Approach
Authors: Abraham P. Biju , Shaji E. 
Published: December 2013

Abstract
Landslide hazard zonation in and around Thodupuzha – Idukki – Munnar road (TM Road) in Idukki district, Kerala, India has been carried out using geospatial techniques. Being a landslide prone area a hazard zonation is attempted using terrain fragility concept. Based on the traverse mapping, slide prone areas and palaeo-slides along the TM road were identified. Precambrian crystallines consisting of hornblende-biotite gneiss, biotite gneiss, granite gneiss, charnockite and pink granites form the main rock types. Factor maps of various terrain parameters such as slope, landuse, relative relief, drainage pattern, drainage density, landform, and surface material were prepared and their integration carried out on a GIS platform. Based on geospatial analyses, the study area (438 sq. km) is ranked into four classes of relative fragility viz. highly fragile (8.25 sq. km), fragile (41.25 sq. km), moderately fragile (232 sq. km) and stable (156.5 sq. km). The first two categories together form 11% of the area, the most hazardous regions, which require immediate mitigation measures for slope protection. The study forms a basis for evolving a strategy for the development of the entire TM road of Idukki district. The fragility concept used in this study is a fast and cost effective model for identifying landslide prone areas, especially in the Western Ghats.
Managed Aquifer Recharge (MAR) by the Construction of Sub-surface Dams in the Semi-arid Regions: A Case Study of the Kalangi River Basin, Andhra Pradesh
Authors: Raju N. Janardhana , Reddy T.V.K. , Muniratnam P. , Gossel Wolfgang , Wycisk Peter 
Published: December 2013

Abstract
Overuse of groundwater in coastal areas, due to high population and agricultural activity results in seawater intrusion into the coastal aquifer. This paper presents the control measures taken to manage aquifer recharge (MAR) and also to overcome the problem of seawater intrusion into the coastal aquifer along the Kalangi river, Nellore district of Andhra Pradesh, India having connectivity with Pulicat (saltwater) lake estuary. Due to overexploitation of groundwater and less rainfall in past years, adjacent seawater has started intruding in the Kalangi river sub-surface and deteriorating groundwater quality up to 11.6 km from the confluence of the river with Pulicat lake. To prevent this situtation, sub-surface dams were constructed in traditional manner using local earth material in three different places across the Kalangi river near Sullurpet town. The water storage capacities calculated after the sub-surface dams’ construction are 1.28 mcft at GK Engineering College, 6.23 mcft at Challamagudi and 3.143 mcft at Holy Cross School sites.
The Holy Cross School sub-surface dam is the first full scale dam-cum-check dam constructed to prevent salt water intrusion in the Kalangi river at Sullurpet, Nellore district, Andhra Pradesh. At the Kalangi river estuary portion (at the mouth of sea) a groyne was reconstructed over old groyne site with the introduction of clay bed and wooden sheet piles at down stream. Apart from prevention of sea water entry into Kalangi river sub-surface (during seasons) the groyne top level was raised to prevent mixing of high sea water tides with fresh water and ensuring additional storage of fresh water at upstream side. The reconstructed groyne was serving the purpose of obstructing the surface seawater entry in the Kalangi river and water quality has improved in the river as well as in the wells. After construction of sub-surface dam, as per the Simpson ratio classification, there is substantial improvement of water quality in the SHAR infiltration well situated near the Holy Cross School sub-surface dam.
Impact of Industrial Effluents on Groundwater around Pali City, Rajasthan Using Field and Satellite Data
Authors: Bhadra B. K. , Pathak Suparn , Sharma J. R. 
Published: December 2013

Abstract
Groundwater pollution due to industrial effluents from textile units around Pali city area is the major concern to the local villagers and the district administration. Indiscriminate discharge of these effluents in the past two decades caused severe damage to the agricultural land and groundwater resources within 3 km buffer zone of the Bandi river. Remote Sensing and GIS techniques are found to be better tools in assessing the damage in agricultural crops during 1997 and 2006 with the help of high resolution satellite images. Groundwater fluctuation trend with annual rainfall pattern during 1985 and 2005 indicate good recharge in the study area. Detailed analysis of groundwater quality parameters (TDS, Cl and SO4) and heavy metals (Cu, Pb, Zn, Fe, Cd and Cr) for 1997-98 indicates maximum concentration around Chatelao village and Dholera Jagir in the downstream direction of Bandi river. However, temporal analysis of groundwater samples collected in January, 2009 shows marginal decrease in concentration of TDS, Cl, SO4, Pb and Cu in both groundwater as well as river effluents. Slight improvement in water quality especially heavy metals in the last 12 years (1998-2009) may be attributed to the appropriate measures (treatment of wastewater and solid waste disposal) taken by the establishment of three Common Effluent Treatment Plants (CETP) in Pali city area. However, a few stringent actions may be taken to avoid direct discharge of the effluents into Bandi river.