bluuebunny/crossref_metadata_2025 huggingface dataset:
Modelling global water stress of the recent past: on the relative importance of trends in water demand and climate variability
Authors: Wada Y. , van Beek L. P. H. , Bierkens M. F. P.
Published: August 2011

Abstract. During the past decades, human water use more than doubled, yet available freshwater resources are finite. As a result, water scarcity has been prevalent in various regions of the world. Here, we present the first global assessment of past development of water scarcity considering not only climate variability but also growing water demand, desalinated water use and non-renewable groundwater abstraction over the period 1960–2001 at a spatial resolution of 0.5°. Agricultural water demand is estimated based on past extents of irrigated areas and livestock densities. We approximate past economic development based on GDP, energy and household consumption and electricity production, which is subsequently used together with population numbers to estimate industrial and domestic water demand. Climate variability is expressed by simulated blue water availability defined by freshwater in rivers, lakes and reservoirs by means of the global hydrological model PCR-GLOBWB. The results show a drastic increase in the global population living under water-stressed conditions (i.e., moderate to high water stress) due to the growing water demand, primarily for irrigation, which more than doubled from 1708/818 to 3708/1832 km3 yr−1 (gross/net) over the period 1960–2000. We estimate that 800 million people or 27 % of the global population were under water-stressed conditions for 1960. This number increased to 2.6 billion or 43 % for 2000. Our results indicate that increased water demand is the decisive factor for the heightened water stress, enhancing the intensity of water stress up to 200 %, while climate variability is often the main determinant of onsets for extreme events, i.e. major droughts. However, our results also suggest that in several emerging and developing economies (e.g., India, Turkey, Romania and Cuba) some of the past observed droughts were anthropogenically driven due to increased water demand rather than being climate-induced. In those countries, it can be seen that human water consumption is a major factor contributing to the high intensity of major drought events.
Single night postoperative prone posturing in idiopathic macular hole surgery
Authors: Malik Arshed , Dooley Ian , Mahmood Usman
Published: August 2011

Purpose

To evaluate the role of postoperative prone posturing for a single night in the outcome of trans pars plana vitrectomy (TPPV) with internal limiting membrane (ILM) peel and 20% perfluoroethane (C2F6) internal tamponade for idiopathic macular hole.

Methods

This prospective trial enrolled 14 eyes in 14 consecutive patients with idiopathic macular hole. All eyes underwent TPPV with vision blue assisted ILM peeling with and without phacoemulsification and intraocular lens (IOL) for macular hole. Intraocular gas tamponade (20% C2F6) was used in all cases with postoperative face-down posturing overnight and without specific posturing afterwards. LogMAR visual acuity, appearance by slit-lamp biomicroscopy, and ocular coherence tomography (OCT) scans were compared preoperatively and postoperatively to assess outcome.

Results

Among 14 eyes recruited, all eyes were phakic; 50% of patients underwent concurrent phacoemulsification with IOL. The macular holes were categorized preoperatively by OCT appearance, 4 (28.57%) were stage 2, 7 (50%) were stage 3, and 3 (21.43%) were stage 4. Mean macular hole size was 0.35 disk diameters. Symptoms of macular hole had been present for an average of 6.5 months. All holes (100%) were closed 3 and 6 months postoperatively. Mean visual acuity (logMAR) was improved to 0.61 at 3 months and was stable at 6 months after the surgery. None of the eyes had worse vision postoperatively.

Conclusions

Vitrectomy with ILM peeling and 20% C2F6 gas with a brief postoperative 1 night prone posturing regimen is a reasonable approach to achieve anatomic closure in idiopathic macular hole. Concurrent cataract extraction did not alter outcomes and was not associated with any additional complications.
Determinants of Tourist Spending in Cross-Sectional Studies and at Danish Destinations
Authors: Marcussen Carl H.
Published: August 2011

This article begins with a meta-analysis style review of the determinants of tourist spending according to more than 50 cross-sectional studies published in academic journal articles during the period 1995–2009. The studies are grouped using factor analysis based on the determinants included or not included in each study. Following the structured review, a conceptual model of the determinants of tourist spending is proposed. In the empirical part of the study, which is based on a survey with more than 11,000 respondents, the determinants of spending are analysed using multiple regression analysis. Eighteen determinants are tested in seven different models. All 18 determinants are significant in the ‘spending per person per night’ model. The additional six models include three subdivisions of this core ‘per person per night’ model into (ii) transport, (iii) accommodation and (iv) other spending. The other three are: (v) per travel party per night, (vi) per person per stay and (vii) per travel party per stay. The 18 sets of tested determinants are: type of accommodation, length of stay, travel party size, destination, travel distance, origin market, purpose of travel, mode of transport, activities, age group, packaging, income, purchase channel, information sources, gender, first-time versus repeat visit, motives and season.
The Calculation Approach for Leakages of International Tourism Receipts: The Turkish Case
Authors: Ünlüönen Kurban , Kiliçlar Arzu , Yüksel Sedat
Published: August 2011

Savings, taxes and imports, known as leakages, decrease the stimulus effect of new dollars in an economy. This study presents an applicable framework for calculating the net international tourism receipts of Turkey by eliminating leakages through an application of the satellite accounts approach, based on input–output tables. According to the results, the proportion of tourism income leakage for Turkey is estimated at 38.5%. Although this proportion is within the limits proposed by the World Tourism Organization, the leakages can be decreased through the adoption of various measures: in most cases, however, while these measures will serve to decrease the leakages, they will also cause a decrease in total tourism income.
The Energy Density Gap of Harmonic Maps between Finsler Manifolds
Authors: Han Jingwei , Yu Yao-yong , Yu Jing
Published: August 2011

We study the energy density function of nondegenerate smooth maps with vanishing tension field between two real Finsler manifolds. Firstly, we get a variation formula of energy density function by using moving frame. With this formula, we obtain a rigidity theorem of nondegenerate map with vanishing tension field from the Finsler manifold to the Berwald manifold.
Larval Epidermis of the Red Eye Tree Frog Agalychnis callidryas (Anura, Hylidae): Ultrastructural Investigation on the Kugelzellen, Specialized Forms of the Constitutive Skein Cell Line
Authors: Giachi Filippo , Tanteri Gianfranco , Malentacchi Cecilia , Delfino Giovanni
Published: August 2011

An ultrastructural study was carried out on the epidermis of Agalychnis callidryas tadpoles during limb development. Larval epidermis consisted of four cell layers: basal, lower intermediate, upper intermediate, and surface or apical layers. Basal cells represented the stem compartment of intermediate cells: both belong to the skein cell (SC) lineage, described in several anuran species, on account of the conspicuous intracytoplasmic tonofilament bundles. Apical cells were secretory in nature and released mucus on the body surface. Intermediate SCs exhibited a hydrated central cytoplasm and peripheral tonofilament bundles. They closely resembled the epidermal ball‐like cells, Kugelzellen (KZn) of Xenopus laevis tadpoles, and possibly shared their turgor‐stiffness properties. In A. callidryas, the stratification of intermediated SCs on their stem cell layer provided the chance to study their cytodifferentiation in a suitable sequence, until basal cell differentiation shifted toward the keratinocyte lineage in premetamorphic stages. Present data assign A. callidryas to the anuran species with a constitutive SC population in larval epidermis, and demonstrate that KZn express the ultimate specialization of such cell line. SCs were arranged in the fashion of a random‐rubble stone groundwork, and possessed long processes. These cytoplasmic outgrowths contained a tonofilament axial rod and held together contiguous cells. Ultrastructural findings suggest that this complex structure may impart compressive as well as sliding strengths to the larval epidermis, representing a possible adaption to the fresh water environment. Anat Rec, 2011. © 2011 Wiley‐Liss, Inc.
Localized Acid Instillation by a Wedged‐Catheter Method Reveals a Role for Vascular Gap Junctions in Spatial Expansion of Acid Injury
Authors: Parthasarathi Kaushik , Bhattacharya Jahar
Published: August 2011

Acid aspiration is a major cause of acute lung injury. However, the mechanisms that underlie this spatial expansion of the injury remain undefined. In current animal models of acid injury, intratracheal acid instillation replicates the lung injury. However intratracheal instillation causes a global effect, precluding studies of how the injury spreads. Here, we report an airway catheter‐based method for localized acid delivery in the isolated blood‐perfused rat lung. We co‐instilled hydrochloric acid with evans blue through the catheter into one lung and determined blood‐free extravascular lung water in tissue samples from regions that either received, or did not receive the instilled acid. Tissue samples from the noncatheterized contralateral lung were used as controls. Lung water increased both in the regions that received acid, as well as in adjacent regions that did not. Pretreating the lung with vascular infusions of the gap junctional blocker, glycerrhetinic acid, blunted the acid‐induced lung water increase at the adjacent regions. These findings indicate that endothelial gap junction communication causes spread of lung injury from regions that were directly acid injured, to adjacent sites that did not directly receive acid. Our new method for establishing localized acid injury provides evidence for a novel role for vascular gap junctions in the spatial expansion of acid injury. Anat Rec, 2011. © 2011 Wiley‐Liss, Inc.
Intracellular Detection of Cytosine Incorporation in Genomic DNA by Using 5‐Ethynyl‐2′‐Deoxycytidine
Authors: Guan Lirui , van der Heijden Godfried W. , Bortvin Alex , Greenberg Marc M.
Published: August 2011

5‐Ethynyl‐2′‐deoxycytidine triphosphate (EdCTP) was synthesized as a probe to be used in conjunction with fluorescent labeling to facilitate the analysis of the in vivo dynamics of DNA‐centered processes (DNA replication, repair and cytosine demethylation). Kinetic analysis showed that EdCTP is accepted as a substrate by Klenow exo− and DNA polymerase β. Incorporation of 5‐ethynyl‐2′‐deoxycytidine (EdC) into DNA by these enzymes is, at most, modestly less efficient than native dC. EdC‐containing DNA was visualized by using a click reaction with a fluorescent azide, following polymerase incorporation and T4 DNA ligase mediated ligation. Subsequent experiments in mouse male germ cells and zygotes demonstrated that EdC is a specific and reliable reporter of DNA replication, in vivo.
Heterogeneous Photocatalytic Reactions of Sulfur Aromatic Compounds
Authors: Samokhvalov Alexander
Published: August 2011

Sulfur aromatic compounds, such as mono‐, di‐, tri‐, and tetraalkyl‐substituted thiophene, benzothiophenes, dibenzothiophenes, are the molecular components of many fossils (petroleum, oil shale, tar sands, bitumen). Structural units of natural, cross‐linked heteroaromatic polymers present in brown coals, turf, and soil are similar to those of sulfur aromatic compounds. Many sulfur aromatic compounds are found in the streams of petroleum refining and upgrading (naphthas, gas oils) and in the consumer products (gasoline, diesel, jet fuels, heating fuels). Besides fossils, the structural fragments of sulfur aromatic compounds are present in molecules of certain organic semiconductors, pesticides, small molecule drugs, and in certain biomolecules present in human body (pheomelanin pigments). Photocatalysis is the frontier area of physical chemistry that studies chemical reactions initiated by absorption of photons by photocatalysts, that is, upon electronic rather than thermal activation, under “green” ambient conditions. This review provides systematization and critical review of the fundamental chemical and physicochemical information on heterogeneous photocatalysis of sulfur aromatic compounds accumulated in the last 20–30 years. Specifically, the following topics are covered: physicochemical properties of sulfur aromatic compounds, major classes of heterogeneous photocatalysts, mechanisms and reactive intermediates of photocatalytic reactions of sulfur aromatic compounds, and the selectivity of these reactions. Quantum chemical calculations of properties and structures of sulfur aromatic compounds, their reactive intermediates, and the structure of adsorption complexes formed on the surface of the photocatalysts are also discussed.
Mammal remains at Rantis Cave, Israel, and Middle–Late Pleistocene human subsistence and ecology in the Southern Levant
Authors: Marder Ofer , Yeshurun Reuven , Lupu Ronit , Bar‐Oz Guy , Belmaker Miriam , Porat Naomi , RON Hagai , Frumkin Amos
Published: August 2011

Rantis Cave is a recently discovered filled cave in central Israel, displaying a rich faunal accumulation of micromammals, ungulates and carnivores. U–Th dating assigns the beginning of accumulation to ca. 140 ka. The accumulation is culturally assigned to the late half of the Middle Paleolithic (MP) period. Single‐grain optically stimulated luminescence measurements attest to a complex sedimentological history. We present the cross‐disciplinary results of taphonomic and geomorphological analyses, which point to the cave serving as a natural pitfall trap for the large fauna, with little human or carnivore activity. The fauna is dominated byDamaamong the ungulates and byMicrotusamong the micromammals. These data in conjunction with ungulate tooth mesowear analysis suggest a xeric Mediterranean environment on the eastern margin of the southern Levantine foothills. The relative taxonomic abundance of ungulate taxa shows some differences from anthropogenic MP sites, possibly reflecting the prey choice patterns of MP hunters. Overall, the natural accumulation scenario for Rantis Cave provides a rare paleoenvironmental and paleoeconomic reference to the rich anthropogenic MP faunas of the Southern Levant, enabling the reconstruction of a rich and diverse environmental setting for this important human dispersal route. Copyright © 2011 John Wiley & Sons, Ltd.
GABA (γ‐aminobutyric acid), a non‐protein amino acid counters the β‐adrenergic cascade‐activated oncogenic signaling in pancreatic cancer: A review of experimental evidence
Authors: Al‐Wadei Hussein A. N. , Ullah Mohammad F. , Al‐Wadei Mohammed
Published: August 2011

GABA is a bioactive constituent of fruits, vegetables, cereals and is believed to play a role in defense against stress in plants. In animals, it acts as an inhibitory neurotransmitter in brain while also expressed in non‐neuronal cells. Studies have implicated the regulator of fight or flight stress responses, β‐AR signaling cascade, as mediators of cancer growth and progression in in vitro and in vivo models of pancreatic malignancies. Pancreatic cancer is the fourth leading cause of cancer mortality in western countries. This malignancy is generally unresponsive to conventional radio‐ and chemotherapy, resulting in mortality rate near 100% within 6 months of diagnosis. We review a series of experiments from our laboratory and those of others examining the contribution of this signaling network to pancreatic and other human malignancies. Stimulation of the β‐adrenergic receptor by lifestyle and environmental factors, as well as a pre‐existing risk of neoplasm, activates downstream effector molecules that lead to pro‐oncogenic signaling and thereby aid cancer growth. GABAergic signaling mediated by the serpentine receptor GABAB acts as an antagonist to β‐adrenergic cascade by intercepting adenylyl cyclase. These evidences enhance the pharmacological value of human diets rich in GABA for use as an adjuvant to standard therapies.
Städte und die beginnende Urbanisierung. Henri Lefebvre in der aktuellen Stadtforschung
Authors: Vogelpohl Anne
Published: August 2011

In recent years, Henri Lefebvre’s theories have gained almost canonical status in urban and spatial studies, particularly in Anglophone countries. Although scholars often quote Lefebvre, his theories, however, tend to confuse due to their complexity and opaque language. By reconstructing his terminology through a close reading, this paper aims to interrogate the characteristics and dynamics of Lefebvre’s terms and their current relevance with regard to empirical and theoretical urban studies. Besides the frequently applied concept of the production of space, Lefebvre’s thesis on the urbanization of society is a prominent part of his works. But ambiguities remain between the terms “city” and “urban” as well as between actual societal realities and virtual possibilities. Following Lefebvre, the “city” is described as a historical condition and as having nearly vanished with industrialization. In contrast, the “urban” is posited as the emergent society consisting of differences, so that the notion of the urbanized society is intrinsically tied to the differential space within which it evolves. The discussion focuses on the dialectical movement between terms as an approach to potential empirical applications in urban and spatial studies. Additionally, this elaboration serves as a basis for continuing the necessary development of Lefebvre’s theories.
FINITELY GENERATED GRADED MULTIPLICATION MODULES
Authors: ZAMANI NASER
Published: August 2011

Let R = ⊕i ∈ ℤRi be a ℤ-graded ring and M = ⊕i ∈ ℤMi be a graded R-module. Providing some results on graded multiplication modules, some equivalent conditions for which a finitely generated graded R-module to be graded multiplication will be given. We define generalised graded multiplication module and determine some of its certain graded prime submodules. It will be shown that any graded submodule of a finitely generated generalised graded multiplication R-module M has a kind of primary decomposition. Using this, we give a characterisation of graded primary submodules of M. These lead to a kind of characterisation of finitely generated generalised graded multiplication modules.
Highways, heroes, and secular martyrs: the symbolics of power and sacrifice
Authors: MANAGHAN TINA
Published: August 2011

This article examines the subtle and not so subtle shifts in Canadian political culture that have taken place in, through and alongside the so-called ‘return’ of the Canadian warrior. It begins from the contention that while the racialised dimensions of the post 9/11 Canadian security state have been well analysed elsewhere, the gendered dimensions have not been fully explored. This article explores the re-emergence of a sacrificial imaginary in Canadian culture through an examination of seemingly irreconcilable accounts that have emerged of the Canadian security state – one that reads ‘Canada’ through the story of the torture and repatriation of Canadian citizen, Maher Arar, and one that tells the story of ‘Canada at War’ through the warrior's return. It examines both in terms of the tensions and instabilities they reveal in the Western liberal imaginary and in terms of the ways in which they collectively operate to redefine the aesthetic borders of the Canadian political community. The article argues that the sacralisation of violence which has refound this political community has been enabled by a remasculinised aesthetic that delimits the ‘progressive liberalism’ which animated theCanada of Old– ostensibly in order to protect it.
UNE RACE TRYPANOTOLERANTE MÉCONNUE: LA BORGOU
Authors: Dehoux J.P. , Verhulst A.
Published: August 2011

RESUME

Le Borgou possède des qualités intéressantes d'adaptation et de productivité en milieu infesté de glossines. Localisée principalement au nord du Bénin et au nord-ouest du Nigéria, cette race trypanotolérante est cependant menacée par un métissage accru avec du sang zébu. Dans le cadre de la promotion et du développement du bétail trypanotolérant dans la lutte contre la trypanosomose animale, les capacités d'élevage de ce type de bétail devraient inciter les organismes régionaux et internationaux à mettre en place un programme de conservation de ce patrimoine génétique.
AVANCES EN LA CONSERVACION Y ESTUDIO DEL BOVINO CRIOLLO ARGENTINO PATAGONICO
Authors: Martinez R. D. , Rodriguez C. A.
Published: August 2011

En el presente trabajo se detallan los avances logrados en la recuperación del Bovino Criollo Patagónico a partir de una población asilvestrada, ubicada en el Parque Nacional“Los Glaciares”. Además, se informa de los primeros resultados experimentales obtenidos a partir de los animales extraidos de diferentes sectores de dicho Parque y que hoy se encuentran emplazados en establecimientos privados fuera del área protegida.
RESSOURCES GENETIQUES ANIMALES DU CAMEROUN
Authors: O. Messine , V.N. Tanya , D.A. Mbah , C.L. Tawah
Published: August 2011

The authors presented in this article a well documented review of the local cattle, sheep and goat populations in relation to the possibility of conservation planning. While the zebu and zebulike cattle populations are in the majority, it is possibly the Bos taurus populations that are of particular interest as they represent only about 1 % of the cattle population but are reputed to be trypanotolerant. Sheep and goats are kept in small family units (approximately 5 animals) mainly for slaughter purposes on special occasions (national and religious feasts) and for cash flow purposes. A short presentation of the prevailing local breed selection schemes and the introduction of non-indigenous genetic material, mainly for cross breeding purposes are also given.
The productivity of Polish Wrzosówka sheep in conditions of preservation
Authors: Kiec W.
Published: August 2011

The Polish Wrzosówka is an old breed of sheep native to Poland. The Wrzosówka sheep restoration programme was begun in Poland in the 1970s. A total of 160 ewes and 27 rams, characterised by great variation, formed the foundation stock. Currently, a total of 1 400 sheep are bred in 8 flocks. The Polish Wrzosówka is an aseasonal breed (3 lambings per year are possible) and is characterised by very high prolificacy of 175–180%. It is a furcoat sheep and its high-quality pelts are mainly used for velour production. The breed has very well developed maternal ability and is well adjusted to harsh environments conditions
Genetic relationships between Native Sheep breeds in Nigeria based on microsatellite DNA polymorphisms
Authors: Olufunmilayo Adebambo , Williams J.L. , Blott Sara , Urquhart B.
Published: August 2011

The genetic relationship among Nigeria's breeds of sheep and their crosses was studied using microsatellite DNA polymorphisms. DNA samples extracted from four Nigeria's breeds of sheep (West African Dwarf, the Balami, Uda and Yankassa) and their crosses were analysed using 30 Bovine microsatellite markers for diversity studies. Twenty of the markers were amplified by the sheep genome. Nineteen of the loci were polymorphic and were used to calculate genetic distances (Ds) between the breeds based on allele frequencies of the microsatellite. The phylogenetic relationships between the breeds were similarly estimated.

With the total number of loci studied, 285 alleles were generated and a high degree of heterozygosity was recorded (0.57 to 0.72). A relatively high degree of reliability could be placed on the tree topology with the relationship between breeds displaying a closer relationship between the Yankassa and Uda (Ds 0.356). The genetic distance was 0.432, 0.534 and 0.665 between the West African Dwarf (WAD) and the Yankassa, Uda and Balami respectively which also indicated a closer relationship between the Yankassa and the WAD compared to the essentially Northern breeds (Uda and Balami). This further confirms the evolutionary divergence of the breeds which makes them distinct entities.

The data suggests that microsatellite DNA markers are very useful tools for studying the genetic relationships among these sheep breeds. The highly polymorphic alleles could similarly be exploited in breed improvement and development.
Strategies for the conservation of the indigenous Kerry Cattle of Ireland
Authors: Olori V.E. , Wickham B.
Published: August 2011

The Kerry is the most numerous of the three surviving indigenous breeds of cattle in Ireland. With a total population currently under a thousand animals it is listed as endangered in the World Watch list. Conservation efforts currently focus on bothin situand ex situ conservation. This approach is possible because of the existence of a few enthusiastic pedigree breeders, a breed society and a herdbook with registrations dating back to the 19thcentury. The Kerry cattle population is small with overlapping generations. The main objective in its conservation is to minimise inbreeding and conserve genetic variation. The Irish Cattle Breeding Federation (ICBF) was recently mandated to support and co-ordinate the conservation efforts which are centred around minimum coancestry selection, a mating advisory service, semen and embryo cryoconservation. To this end, a mean relationship system was developed for the routine computation of inbreeding and provision of a mating advisory system. Four bulls are identified annually for semen collection and storage. A second scheme aims to identify 15 cows for embryo cryoconservation over a three-year period. Future conservation efforts will benefit from the collation of Kerry cattle breeding and production information in a central database. This and a study of the dynamics of the Kerry cattle population are future priorities for ICBF in an effort to prevent the extinction of the Kerry cattle.
Breed characteristics of Mecheri sheep
Authors: Karunanithi K. , Purushothaman M.R. , Thiruvenkadan A.K. , Singh G. , Sadana D.K. , Murugan M.
Published: August 2011

This study was carried out on 2 309 households in 60 villages with the objective of documenting the performance of Mecheri sheep in their native environment. The study revealed that Mecheri sheep were distributed in Salem, Erode, Karur, Namakkal and parts of Dharmapuri districts of Tamil Nadu. This tract lies in the north-western agro-climatic zone of Tamil Nadu and the climate is generally hot, semi-arid and tropical in nature.

The average flock size of Mecheri sheep was 24, of which, there were 1 ram, 17 ewes and 6 lambs. Mecheri sheep of medium size with a compact body and covered with short hairs, which are not shorn. They are light brown in colour. Their profile reveals a slightly Roman nose. Both males and females are polled. The pooled means for height at withers, chest girth and body length at above 24 months of age were 67±0.4, 74±0.4 and 66±0.4 cm, respectively. The body weight of the animals at birth 3, 6, 9 and 12 months of age was 2.82±0.01, 10.9±0.1, 15.6±0.1, 17.6±0.2 and 21.1±0.1, kg respectively. The dressing percentage of males and females was 54.4±0.4 and 51.8±0.5, respectively. Average ages at first oestrus, mating and lambing were 12.1±0.1, 12.4±0.1 and 17.4±0.1 months, respectively. The average lambing interval was 226±0.7 days and the average litter size was one.
Mild depressive symptoms, self-reported disability, and slowing across multiple functional domains
Authors: Albert Steven M. , Bear-Lehman Jane , Burkhardt Ann
Published: August 2011

Background: Subthreshold depressive symptoms are common in older adults. The threshold for the clinical significance of such symptoms is unclear. Mechanisms linking depressed mood to increased risk of disability need further investigation.

Methods: Among older adults who did not meet criteria for depression, respondents reporting no anhedonia and dysphoria over the past two weeks were compared to respondents reporting occasional symptoms with respect to self-reported disability and cognitive, psychomotor, and physical performance tests.

Results: Of 312 community-resident participants without dementia, 35.3% (n = 110) reported one or both of the two depressive symptoms at mild severity (no more than “several days” in the past two weeks). Older adults with mild depressive symptoms reported more physician-diagnosed medical conditions (2.2 vs. 1.8, p < 0.01) and mobility problems (3.0 vs. 1.8, 0–7 scale, p < 0.001), and were slower in gait (0.80 vs. 0.73 m/sec, p < 0.01) and speed of cognitive processing (Trail B, 166.1 vs. 184.7 sec, p < 0.001). In regression models that adjusted for sociodemographic and medical status, subthreshold symptoms were not a significant correlate of slowing in gait speed or cognitive performance. However, subthreshold depressive symptoms were associated with self-reported mobility limitation in models that adjusted for observed performance.

Conclusions: Mild depressive symptoms in this sample were not an independent correlate of slowed performance. However, the presence of mild depressive symptoms was associated with poorer appraisal of mobility after adjustment for objective measures of mobility.
Simulating adsorption of U(VI) under transient groundwater flow and hydrochemistry: Physical versus chemical nonequilibrium model
Authors: Greskowiak Janek , Hay Michael B. , Prommer Henning , Liu Chongxuan , Post Vincent E. A. , Ma Rui , Davis James A. , Zheng Chunmiao , Zachara John M.
Published: August 2011

Coupled intragrain diffusional mass transfer and nonlinear surface complexation processes play an important role in the transport behavior of U(VI) in contaminated aquifers. Two alternative model approaches for simulating these coupled processes were analyzed and compared: (1) the physical nonequilibrium approach that explicitly accounts for aqueous speciation and instantaneous surface complexation reactions in the intragrain regions and approximates the diffusive mass exchange between the immobile intragrain pore water and the advective pore water as multirate first‐order mass transfer and (2) the chemical nonequilibrium approach that approximates the diffusion‐limited intragrain surface complexation reactions by a set of multiple first‐order surface complexation reaction kinetics, thereby eliminating the explicit treatment of aqueous speciation in the intragrain pore water. A model comparison has been carried out for column and field scale scenarios, representing the highly transient hydrological and geochemical conditions in the U(VI)‐contaminated aquifer at the Hanford 300A site, Washington, USA. It was found that the response of U(VI) mass transfer behavior to hydrogeochemically induced changes in U(VI) adsorption strength was more pronounced in the physical than in the chemical nonequilibrium model. The magnitude of the differences in model behavior depended particularly on the degree of disequilibrium between the advective and immobile phase U(VI) concentrations. While a clear difference in U(VI) transport behavior between the two models was noticeable for the column‐scale scenarios, only minor differences were found for the Hanford 300A field scale scenarios, where the model‐generated disequilibrium conditions were less pronounced as a result of frequent groundwater flow reversals.
Developing community infrastructure for hydrologic modeling
Authors: Arrigo Jennifer
Published: August 2011

Third Workshop on the Community Hydrologic Modeling Platform (CHyMP): A Strategic and Implementation Plan; Irvine, California, 15–17 March 2011; The objective of the Community Hydrologic Modeling Platform (CHyMP), a grassroots effort begun in 2008, is to build the cyberinfrastructure and human infrastructure for community‐driven, integrated model development and comprehensive data set compilation, as well as a framework for model distribution, high‐performance computing access, and technical support. CHyMP recognizes that it is difficult to evaluate and access many existing hydrologic models and the data needed to calibrate them, and these shortcomings impede scientific progress. The third CHyMP workshop, “A Strategic and Implementation Plan,” funded by the U.S. National Science Foundation and the University of California Center for Hydrologic Modeling, brought together more than 30 participants from universities, government agencies, and the private sector to focus on defining steps to begin implementing CHyMP. Participants discussed four aspects critical to community modeling: the data required, the need for benchmarking and intercomparison exercises, the importance of evaluating platforms for such exercises, and the vision of a national water modeling framework.
Density functional study of multiplicity-changing valence and Rydberg excitations of p-block elements: Delta self-consistent field, collinear spin-flip time-dependent density functional theory (DFT), and conventional time-dependent DFT
Authors: Yang Ke , Peverati Roberto , Truhlar Donald G. , Valero Rosendo
Published: August 2011

A database containing 17 multiplicity-changing valence and Rydberg excitation energies of p-block elements is used to test the performance of density functional theory (DFT) with approximate density functionals for calculating relative energies of spin states. We consider only systems where both the low-spin and high-spin state are well described by a single Slater determinant, thereby avoiding complications due to broken-symmetry solutions. Because the excitations studied involve a spin change, they require a balanced treatment of exchange and correlation, thus providing a hard test for approximate density functionals. We test three formalisms for predicting the multiplicity-changing transition energies. First is the ΔSCF method; we also test time-dependent density functional theory (TDDFT), both in its conventional form starting from the low-spin state and in its collinear spin-flip form starting from the high-spin state. Very diffuse basis functions are needed to give a qualitatively correct description of the Rydberg excitations. The scalar relativistic effect needs to be considered when quantitative results are desired, and we include it in the comparisons. With the ΔSCF method, most of the tested functionals give mean unsigned errors (MUEs) larger than 6 kcal/mol for valence excitations and MUEs larger than 3 kcal/mol for Rydberg excitations, but the performance for the Rydberg states is much better than can be obtained with time-dependent DFT. It is surprising to see that the long-range corrected functionals, which have 100% Hartree–Fock exchange at large inter-electronic distance, do not improve the performance for Rydberg excitations. Among all tested density functionals, ΔSCF calculations with the O3LYP, M08-HX, and OLYP functionals give the best overall performance for both valence and Rydberg excitations, with MUEs of 2.1, 2.6, and 2.7 kcal/mol, respectively. This is very encouraging since the MUE of the CCSD(T) coupled cluster method with quintuple zeta basis sets is 2.0 kcal/mol; however, caution is advised since many popular density functionals give poor results, and there can be very significant differences between the ΔSCF predictions and those from TDDFT.
Development of a compact fast CCD camera and resonant soft x-ray scattering endstation for time-resolved pump-probe experiments
Authors: Doering D. , Chuang Y.-D. , Andresen N. , Chow K. , Contarato D. , Cummings C. , Domning E. , Joseph J. , Pepper J. S. , Smith B. , Zizka G. , Ford C. , Lee W. S. , Weaver M. , Patthey L. , Weizeorick J. , Hussain Z. , Denes P.
Published: August 2011

The designs of a compact, fast CCD (cFCCD) camera, together with a resonant soft x-ray scattering endstation, are presented. The cFCCD camera consists of a highly parallel, custom, thick, high-resistivity CCD, readout by a custom 16-channel application specific integrated circuit to reach the maximum readout rate of 200 frames per second. The camera is mounted on a virtual-axis flip stage inside the RSXS chamber. When this flip stage is coupled to a differentially pumped rotary seal, the detector assembly can rotate about 100°/360° in the vertical/horizontal scattering planes. With a six-degrees-of-freedom cryogenic sample goniometer, this endstation has the capability to detect the superlattice reflections from the electronic orderings showing up in the lower hemisphere. The complete system has been tested at the Advanced Light Source, Lawrence Berkeley National Laboratory, and has been used in multiple experiments at the Linac Coherent Light Source, SLAC National Accelerator Laboratory.
Mode of bindings of zinc oxide nanoparticles to myoglobin and horseradish peroxidase: A spectroscopic investigations
Authors: Mandal Gopa , Bhattacharya Sudeshna , Ganguly Tapan
Published: August 2011

The interactions between two heme proteins myoglobin (HMb) and horseradish peroxidase (HRP) with zinc oxide (ZnO) nanoparticles are investigated by using UV–vis absorption, steady state fluorescence, synchronous fluorescence, time-resolved fluorescence, FT-IR, atomic force microscopy (AFM) and circular dichroism (CD) techniques under physiological condition of pH∼7.4. The presence of mainly static mode in fluorescence quenching mechanism of HMb and HRP by ZnO nanoparticle indicates the possibility of formation of ground state complex. The processes of bindings of ZnO nanoparticles with the two proteins are spontaneous molecular interaction procedures. In both cases hydrogen bonding plays a major role. The circular dichroism (CD) spectra reveal that a helicity of the proteins is reduced by increasing ZnO nanoparticle concentration although the α-helical structures of HMb and HRP retain their identity. On binding to the ZnO nanoparticles the secondary structure of HRP molecules (or HMb molecules) remains unchanged while there is a substantial change in the environment of the tyrosin active site in case of HRP molecules and tryptophan active site in case of HMb molecules. Tapping mode atomic force microscopy (AFM) was applied for the investigation the structure of HRP adsorbed in the environment of nanoparticles on the silicon and on the bare silicon. HRP molecules adsorb and aggregate on the mica with ZnO nanoparticle. The aggregation indicates an attractive interaction among the adsorbed molecules. The molecules are randomly distributed on the bare silicon wafer. The adsorption of HRP in the environment of ZnO nanoparticle changes drastically the domains due to a strong interaction between HRP and ZnO nanoparticles. Similar situation is observed in case of HMb molecules. These findings demonstrate the efficacy of biomedical applications of ZnO nanoparticles as well as in elucidating their mechanisms of action as drugs in both human and plant systems.
Reynolds number manipulation of mean nanowire lengths and nanowire suspension quantification
Authors: Beaux Miles F. , Hass Jamie , Bridges Nathan , Kwon Nam Hoon , McIlroy David N.
Published: August 2011

A process has been developed for post fabrication manipulation of silica nanowire lengths with reproducible mean length target ability by manual grinding in liquid media. The process is based on the relationship between nanowire Reynolds number and the laminar or turbulent motion of nanowires in a media. Mean lengths of nanowires prepared by this process are predicted to be inversely proportional to the density over viscosity of the media used. Experimental results giving the mean length measurements are in very good agreement with the predicted dependence on medium density and viscosity.
Multi-reference Fock space coupled-cluster method in the intermediate Hamiltonian formulation for potential energy surfaces
Authors: Musiał Monika , Bartlett Rodney J.
Published: August 2011

The effective and intermediate Hamiltonian multi-reference coupled-cluster (CC) method with singles and doubles for the doubly ionized (0,2) sector of Fock space (FS) is formulated and implemented. The intermediate Hamiltonian realization of the (0,2) FS problem provides a robust computational scheme for solving the FS-CC equations free from the intruder state problem. By introducing an efficient factorization strategy, we obtain a very efficient tool that can be used for computing double ionization potentials but more significantly to describe multi-reference problems in CC theory, illustrated by twisted ethylene and the potential energy curve for F2. The latter separates smoothly to two F atoms, while the former avoids the cusp behavior at the 90° dihedral. We also explore the double ionization potentials for several small molecules, H2O, CO, C2H2, and C2H4.
Revisiting falloff curves of thermal unimolecular reactions
Authors: Troe J. , Ushakov V. G.
Published: August 2011

Master equations for thermal unimolecular reactions and the reverse thermal recombination reactions are solved for a series of model reaction systems and evaluated with respect to broadening factors. It is shown that weak collision center broadening factors $F_{cent}^{wc}$Fcentwc can approximately be related to the collision efficiencies βc through a relation $F_{cent}^{wc}$Fcentwc ≈ max {βc0.14, 0.64(±0.03)}. In addition, it is investigated to what extent weak collision falloff curves in general can be expressed by the limiting low and high pressure rate coefficients together with central broadening factors Fcent only. It is shown that there cannot be one “best” analytical expression for broadening factors F(x) as a function of the reduced pressure scale x = k0/k∞. Instead, modelled falloff curves of various reaction systems, for given k0, k∞, and Fcent, fall into a band of about 10% width in F(x). A series of analytical expressions for F(x), from simple symmetric to more elaborate asymmetric broadening factors, are compared and shown to reproduce the band of modelled broadening factors with satisfactory accuracy.
Probing the physiology of ASH neuron in Caenorhabditis elegans using electric current stimulation
Authors: Chokshi Trushal Vijaykumar , Bazopoulou Daphne , Chronis Nikos
Published: August 2011

Electrical stimulation has been widely used to modulate and study the in vitro and in vivo functionality of the nervous system. Here, we characterized the effect of electrical stimulation on ASH neuron in Caenorhabditis elegans and employed it to probe the neuron’s age dependent properties. We utilized an automated microfluidic-based platform and characterized the ASH neuronal activity in response to an electric current applied to the worm’s body. The electrically induced ASH neuronal response was observed to be dependent on the magnitude, polarity, and spatial location of the electrical stimulus as well as on the age of the worm.
Excited-state geometries and vibrational frequencies studied using the analytical energy gradients of the direct symmetry-adapted cluster–configuration interaction method. I. HAX-type molecules
Authors: Ehara Masahiro , Oyagi Fumito , Abe Yoko , Fukuda Ryoichi , Nakatsuji Hiroshi
Published: August 2011

In this series of studies, we systematically apply the analytical energy gradients of the direct symmetry-adapted cluster–configuration interaction singles and doubles nonvariational method to calculate the equilibrium geometries and vibrational frequencies of excited and ionized states of molecules. The harmonic vibrational frequencies were calculated using the second derivatives numerically computed from the analytical first derivatives and the anharmonicity was evaluated from the three-dimensional potential energy surfaces around the local minima. In this paper, the method is applied to the low-lying valence singlet and triplet excited states of HAX-type molecules, HCF, HCCl, HSiF, HSiCl, HNO, HPO, and their deuterium isotopomers. The vibrational level emission spectra of HSiF and DSiF and absorption spectra of HSiCl and DSiCl were also simulated within the Franck–Condon approximation and agree well with the experimental spectra. The results show that the present method is useful and reliable for calculating these quantities and spectra. The change in geometry in the excited states was qualitatively interpreted in the light of the electrostatic force theory. The effect of perturbation selection with the localized molecular orbitals on the geometrical parameters and harmonic vibrational frequencies is also discussed.
Unusual mechanism of capillary condensation in pores modified with chains forming pillars
Authors: Borówko M. , Patrykiejew A. , Sokołowski S.
Published: August 2011

Density functional approach is applied to study the phase behavior of Lennard-Jones(12,6) fluid in pillared slit-like pores. Our focus is in the evaluation of phase transitions in fluid adsorbed in the pore of a fixed width. If the length of pillars is sufficiently large, we observe additional phase transitions of the first and second order due to the symmetry breaking of the distribution of chain segments and fluid species with respect to the slit-like pore center. Re-entrant symmetry changes and additional critical, critical end points and tricritical points then are observed. The scenario of phase changes is sensitive to the energy of fluid-solid interaction, the amount, and the length of the pillars. Quantitative trends and qualitative changes of the phase diagrams topology are examined depending on the values of these parameters.
Fabrication of silver tips for scanning tunneling microscope induced luminescence
Authors: Zhang C. , Gao B. , Chen L. G. , Meng Q. S. , Yang H. , Zhang R. , Tao X. , Gao H. Y. , Liao Y. , Dong Z. C.
Published: August 2011

We describe a reliable fabrication procedure of silver tips for scanning tunneling microscope (STM) induced luminescence experiments. The tip was first etched electrochemically to yield a sharp cone shape using selected electrolyte solutions and then sputter cleaned in ultrahigh vacuum to remove surface oxidation. The tip status, in particular the tip induced plasmon mode and its emission intensity, can be further tuned through field emission and voltage pulse. The quality of silver tips thus fabricated not only offers atomically resolved STM imaging, but more importantly, also allows us to perform challenging “color” photon mapping with emission spectra taken at each pixel simultaneously during the STM scan under relatively small tunnel currents and relatively short exposure time.
SrTiO3 modified TiO2 electrodes and improved dye-sensitized TiO2 solar cells
Authors: Wu Sujuan , Gao Xingsen , Qin Minghui , Liu J.-M. , Hu Shejun
Published: August 2011

The SrTiO3-coated TiO2 (TiO2/SrTiO3) electrodes prepared by radio frequency magnetron sputtering are used to improve the performance of dye-sensitized TiO2 solar cells by means of surface modification. The structural and performance characterizations reveal that the TiO2/SrTiO3 electrodes, in comparison with fresh TiO2 electrodes, have low density of oxygen vacancies, passivated surface states, and suppressed interfacial recombination effect, thus resulting in improved performance parameters of the cells. An optimized coating of SrTiO3 layer on the TiO2 film surface allows an enhancement of the power conversion efficiency from 4.78% to 5.91%.