bluuebunny/crossref_metadata_2025_split huggingface dataset:
KFC2: A knowledge‐based hot spot prediction method based on interface solvation, atomic density, and plasticity features
Authors: Zhu Xiaolei , Mitchell Julie C. 
Published: May 2011

AbstractHot spots constitute a small fraction of protein–protein interface residues, yet they account for a large fraction of the binding affinity. Based on our previous method (KFC), we present two new methods (KFC2a and KFC2b) that outperform other methods at hot spot prediction. A number of improvements were made in developing these new methods. First, we created a training data set that contained a similar number of hot spot and non‐hot spot residues. In addition, we generated 47 different features, and different numbers of features were used to train the models to avoid over‐fitting. Finally, two feature combinations were selected: One (used in KFC2a) is composed of eight features that are mainly related to solvent accessible surface area and local plasticity; the other (KFC2b) is composed of seven features, only two of which are identical to those used in KFC2a. The two models were built using support vector machines (SVM). The two KFC2 models were then tested on a mixed independent test set, and compared with other methods such as Robetta, FOLDEF, HotPoint, MINERVA, and KFC. KFC2a showed the highest predictive accuracy for hot spot residues (True Positive Rate: TPR = 0.85); however, the false positive rate was somewhat higher than for other models. KFC2b showed the best predictive accuracy for hot spot residues (True Positive Rate: TPR = 0.62) among all methods other than KFC2a, and the False Positive Rate (FPR = 0.15) was comparable with other highly predictive methods. Proteins 2011. © 2011 Wiley‐Liss, Inc.
Built‐in fields in stacked InGaN/GaN quantum dots
Authors: Schulz Stefan , O'Reilly Eoin P. 
Published: May 2011

AbstractThe built‐in potential ϕtot of an isolated and of three stacked lens‐shaped c‐plane In0.2Ga0.8N/GaN quantum dots (QDs) is calculated using a surface integral approach. There remains disagreement about the sign of the shear strain piezoelectric coefficient e15, with more recent analysis suggesting e15 < 0. We show that with e15 < 0, the potential ϕtot changes sign outside an isolated QD, in contrast to the case with e15 > 0. This behaviour affects ϕtot in a system of stacked QDs. For small barrier thicknesses between the QDs, the potential in the central QD is strongly reduced compared to an isolated QD, independent of the sign of e15. Using e15 < 0 and small barrier thicknesses, the potential in the remaining two QDs is also slightly reduced, while for larger barrier thicknesses almost no reduction is observed.
La0.7Sr0.3MnO3 thin films deposited by pulsed laser ablation for spintronic applications
Authors: Martino Maurizio , Cesaria Maura , Caricato Anna Paola , Maruccio Giuseppe , Cola Adriano , Farella Isabella 
Published: May 2011

AbstractAmong spintronic materials, mixed‐valence manganite La 0.7Sr0.3MnO3 (LSMO) is widely investigated due to its half‐metal nature. LSMO thin films were grown by pulsed laser deposition (PLD) onto amorphous silica substrates heated at nearly 600 °C. An ArF excimer laser was chosen to induce ablation due to its more energetic photons compared to the other quoted excimer laser sources. Different oxygen pressures were considered in order to study the influence of oxygen on the LSMO optical and electrical properties. In this respect, the visible transparency percentage of the deposited films is found good enough for spin‐OLED applications. The absorption coefficient shows an absorption band tunable as a function of the oxygen content. Its energetic location and evolution with the oxygen content demonstrate it originates from radiative transitions between the spin‐majority bands separated by the Jahn–Teller distortion. All of this lets relate the deposition oxygen pressure to the Mn3+ ion content in each film and interpret electrical data. The 200 and 100 nm thick samples exhibit weak metallic transport behavior at room temperature with a resistivity of 4.8 and 6.9 Ω cm, respectively. Concerning the resistivity response versus temperature, the measured low metal–insulator transition temperature (150 K) is related to the sample structural features as involved by the depositions. Two different transport mechanisms describe the conductivity regime of the deposited samples, namely the small polaron variable range hopping (VRH) and the Arrhenius law.
Diurnal cycle of precipitable water vapor over Spain
Authors: Ortiz de Galisteo J. P. , Cachorro V. , Toledano C. , Torres B. , Laulainen N. , Bennouna Y. , de Frutos A. 
Published: May 2011

AbstractKnowledge of the diurnal cycle of precipitable water vapor (PWV) is very limited owing to the lack of data with sufficient temporal resolution. Currently, GPS receivers have proven to be a suitable technique to determine PWV diurnal variations. In this study, the annual and seasonal diurnal cycles of PWV have been obtained from GPS data for 10 locations over Spain. The minimum value of PWV is reached approximately at the same time at all the stations, ∼0430–0530 UTC, whereas the maximum is reached in the second half of the day, but with a larger dispersion of its occurrence between stations. The annual sub‐daily variability ranges from 0.41 to 1.35 mm (3–7%). The highest values are recorded at the stations on the Mediterranean coast, with a doubling of the values of the stations on the Atlantic coast or inland. The winter cycle is quite similar at all locations, whereas in summer local effects are felt strongly, making the diurnal cycle quite different between stations. The PWV mean diurnal cycle is strongest in summer and weakest in spring, with a sub‐daily variability of 1.34 and 0.66 mm respectively. Harmonic analysis shows that the first two harmonics can explain 97% of the variance. The diurnal (24 h) harmonic explains 85% of the variance, has mean amplitude of 0.40 mm, and the peak time is from early afternoon to evening. The semi‐diurnal (12 h) harmonic is weaker, with an amplitude of 0.13 mm, and peak time between 0400 and 1000 UTC. The diurnal cycle of temperature alone would be a proxy for PWV cycle during the night, but not during the daytime. The breeze regime is the main factor responsible for the phase lag between PWV and temperature cycles during daytime. No clear correlation between the daily cycle of precipitation and PWV has been found. Copyright © 2011 Royal Meteorological Society
Linear theory of the sea breeze in a thermal wind
Authors: Drobinski Philippe , Rotunno Richard , Dubos Thomas 
Published: May 2011

AbstractThis article investigates the linear dynamics of the sea breeze in an along‐shore thermal wind shear. The present analysis shows that the sea‐breeze circulation is tilted towards the slanted isentropes associated with the thermal wind. At a critical value of the thermal wind shear, the tilt of the sea‐breeze circulation becomes equal to the slope of the background isentropes. The present analysis also shows a spatial shift between the heating pattern and the sea‐breeze circulation. The present linear theory is then applied to interpret measurements made in the vicinity of New York City where there is a warm‐season synoptic southwesterly jet. It is compared with observations and past numerical simulations. Agreement is found with respect to the enhanced along‐coast wind that follows the tilted isentropes, the order of magnitude of the isentrope tilt and the clockwise rotating wind hodograph showing the jet maximum peaking at 1800 solar time. There is a disagreement between theory and observations on the phase lag between the jet maximum and the cross‐shore pressure gradient maximum. However, this disagreement can reasonably be attributed to either the angle made by the synoptic jet to the coastline and/or the presence of friction. The inland spatial shift of the breeze indicated by the theory might also be indirectly confirmed by the coastal inland wind observations of a larger diurnal amplitude for a stronger synoptic jet. Copyright © 2011 Royal Meteorological Society
Multichannel RRKM study on the mechanism and kinetics of the CH3Cl + OH reaction
Authors: Dehestani Maryam , Shojaie Fahimeh 
Published: May 2011

AbstractThe kinetics and mechanism of the reaction of OH with CH3Cl have been theoretically studied. The potential energy surface for each possible pathway has been investigated by the G2MP2 method. The rate constants for channels leading to several products have been calculated by multichannel‐Rice‐Ramsperger‐Kassel‐Marcus (RRKM) theory over a temperature range 200–2000 K. The results show the major channel is hydrogen abstraction mechanism. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
Distributed cross‐layer optimization for wireless regional area network‐based cognitive radio networks
Authors: Guo Wenxuan , Huang Xinming 
Published: May 2011

ABSTRACTThis paper presents a study of a cross‐layer design through joint optimization of spectrum allocation and power control for cognitive radio networks (CRNs). The spectrum of interest is divided into independent channels licensed to a set of primary users (PUs). The secondary users are activated only if the transmissions do not cause excessive interference to PUs. In particular, this paper studies the downlink channel assignment and power control in a CRN with the coexistence of PUs and secondary users. The objective was to maximize the total throughput of a CRN. A mathematical model is presented and subsequently formulated as a binary integer programming problem, which belongs to the class of non‐deterministic polynomial‐time hard problems. Subsequently, we develop a distributed algorithm to obtain sub‐optimal results with lower computational complexity. The distributed algorithm iteratively improves the network throughput, which consists of several modules including maximum power calculation, excluded channel sets recording, base station throughput estimation, base station sorting, and channel usage implementation. Through investigating the impacts of the different parameters, simulation results demonstrates that the distributed algorithm can achieve a better performance than two other schemes. Copyright © 2011 John Wiley & Sons, Ltd.
Understanding online groups through social media
Authors: Barbier Geoffrey , Tang Lei , Liu Huan 
Published: May 2011

AbstractMultiple fields including sociology, anthropology, and business are interested in understanding group behavior. Applying data mining techniques to social media can help provide insights into group behavior and divulge a group's characteristics by identifying a group, developing a profile for a group, revealing the sentiment of a group, and detailing a group's composition. The ability to accomplish these tasks has practical business and scientific applications such as understanding customers better and providing new insights into influence propagation, as well as the ability to accurately categorize groups over time. This paper highlights some ongoing research efforts aiming at understanding groups through social media. © 2011 John Wiley & Sons, Inc. WIREs Data Mining Knowl Discov 2011 1 330–338 DOI: 10.1002/widm.37This article is categorized under:

Algorithmic Development > Web Mining
Application Areas > Society and Culture
Fundamental Concepts of Data and Knowledge > Data Concepts
Fundamental Concepts of Data and Knowledge > Human Centricity and User Interaction
Acceptability of Prenatal Diagnosis by a Sample of Parents of Sickle Cell Anemia Patients in Cameroon (Sub‐Saharan Africa)
Authors: Wonkam Ambroise , Njamnshi Alfred K. , Mbanya Dora , Ngogang Jeanne , Zameyo Caryl , Angwafo Fru F. 
Published: May 2011

AbstractLittle is known about attitudes of parents of Sickle Cell Anemia patients in sub‐Saharan Africa regarding prenatal genetic diagnosis and termination of an affected pregnancy. In this study, structured face‐to‐face interviews were conducted with a sample of 130 parents in Cameroon that had at least one living child with Sickle Cell Anemia. The majority of participants lived in urban areas (89%), were female (80%), Christian (93%), married (60.2%) in monogamous households (81.1%), were employed (61.7%), and had at least a secondary or tertiary education (82%). The majority of parents accepted the principle of prenatal genetic diagnosis for Sickle Cell Anemia (89.8%) and termination of pregnancy (62.5%). Acceptance of the principle of pregnancy termination increased with unemployment (p < .01) and single marital status (p < .05). The results of this study suggest Cameroonian parents with children affected with Sickle Cell Anemia generally accept the principles of prenatal diagnosis and in some cases termination of a pregnancy affected with Sickle Cell Anemia. Additional findings, policy and practice implications, and research recommendations are presented.
Characteristics of Eutectic Compositions of Restructured Palm Oil Olein, Palm Kernel Oil and Their Mixtures
Authors: Gold Isona L. , Ukhun M. E. , Akoh C. C. 
Published: May 2011

AbstractThe physico‐chemical characteristics of blends of palm olein and palm kernel oil which were further modified by chemical interesterification were studied. The slip melting points of non‐interesterified blends were 19.7, 16.2, 14.5, 14.5 and 14.4 °C while those of the chemically interesterified blends were 17.7, 16.2, 19.8, 18.7 and 18.7 °C at 40, 30, 20, 10 and 0% palm kernel oil, respectively. Chemical interesterification lowered the solid fat content of the pure samples and blends across different temperatures except 90% palm olein at 15 °C where the solid fat content was higher than for non‐interesterified samples. Palm kernel oil, palm olein and their blends before and after chemical interesterification, crystallized mainly in the β′ form. However, chemical interesterification modified the microstructure from a combination of fat particles with void regions of crystalline materials to fat particles without regions of void crystalline materials. Palm olein and palm kernel oil blends are mainly used for food preparation in Nigeria. This study has shown that there are no significant differences in the physical and chemical properties of non‐chemically interesterified and chemically interesterified blends of palm olein and palm kernel oil. This implies that blending of palm olein and palm kernel oil without chemical interesterification can provide the fluidity desirable at ambient temperatures for food applications in the tropics.
Genetisch bedingte Entwicklungsstörungen der Genitalwege
Authors: Wieacker P. , Ledig S. , Bogdanova N. 
Published: May 2011

Zusammenfassung
Anomalien der Genitalwege können zu Sterilität und Infertilität führen. In dieser Übersicht werden Störungen der Müller- und Wolff-Strukturen, die für die Entwicklung der weiblichen und männlichen Genitalwege verantwortlich sind, diskutiert.
Genetische Ursachen der prämaturen Ovarialinsuffizienz und Ovardysgenesie
Authors: Ledig S. , Wieacker P. 
Published: May 2011

Zusammenfassung
Die prämature Ovarialinsuffizienz (POI) ist durch eine Amenorrhö vor dem 40. Lebensjahr und einen hypergonadotropen Hypogonadismus gekennzeichnet. Die Prävalenz für Frauen mit 40 Jahren liegt bei 1%. Die Ovardysgenesie, welche durch einen kompletten Follikelverlust vor der Geburt charakterisiert ist, kann als die schwerste Manifestation einer POI angesehen werden. Die POI tritt in der Mehrzahl isoliert auf, kann aber auch Teil einer syndromalen Erkrankung sein. Neben exogenen Faktoren kommen auch genetische Faktoren wie Chromosomenaberrationen, monogenetische Defekte und eine polygen-multifaktorielle Genese in Frage. Inzwischen sind mehr als 30 Gene bekannt, deren Mutationen zur POI führen. Dennoch ist in der Mehrzahl der Fälle die Ätiologie der POI weiterhin unbekannt.
Störungen der männlichen Gonadendifferenzierung
Authors: Wieacker P. , Ledig S. 
Published: May 2011

Zusammenfassung
Die XY-Gonadendysgenesie ist ein heterogenes Krankheitsbild und kann durch eine Entwicklungsstörung der Urogenitalleiste zur bipotenten Gonade oder durch eine Störung der bipotenten Gonade zum Hoden bedingt sein. Dementsprechend können Gene der frühen Gonadendifferenzierung wie WT1 und SF1 von solchen der Testis-Differenzierung wie SRY, SOX9, DMRT, DAX1, WNT4, DHH, CBX2, TSPYL1, ATRX und ARX unterschieden werden. Bei der kompletten XY-Gonadendysgenesie sind die Müller-Strukuren, aber keine Wolff-Strukturen vorhanden, und es besteht ein hypergonadotroper Hypogonadismus. Bei der partiellen XY-Gonadendysgenesie können Residuen von Müller- und Wolff-Strukturen sowie eine Virilisierung des äußeren Genitales vorhanden sein. In ungefähr einem Drittel der Fälle von XY-Gonadendysgenesie besteht eine syndromale Form, wobei Leitsymptome auf die zugrunde liegende Ursache hinweisen. Mutationen in Genen, die typischerweise zu syndromalen Formen der XY-Gonadendysgenesie führen, können allerdings auch eine nichtsyndromale Form hervorrufen.
Pervasive Cognitive Impairment in Acute Rehabilitation Inpatients Without Brain Injury
Authors: Woods Adam J. , Mark Victor W. , Pitts Anthony C. , Mennemeier Mark 
Published: May 2011

ObjectiveTo establish feasibility for the hypothesis that patients in acute rehabilitation who are hospitalized for disorders not known to involve cerebral injury can have significant cognitive impairment.DesignA comparison of performances on neuropsychological tests between 2 samples of subjects: inpatients in an acute rehabilitation hospital without known cerebral disease and normal community‐dwelling persons.SettingAcute inpatient rehabilitation hospital.Patients and ParticipantsNineteen hospitalized patients without delirium who were screened for pre‐existing cerebral and psychiatric illness, dementia, and dependency in basic self‐care skills before hospitalization. Eighteen community‐dwelling persons who were not different in terms of age and education served as the control group.MethodsParticipants completed 10 commonly used neuropsychological tests of executive, language, and memory functions. Data were analyzed by using multivariate analysis of variance.Main Outcome MeasurementsRaw scores on the 10 neuropsychological tests.ResultsHospitalized patients performed significantly worse on 9 of 10 tests than community‐dwelling participants. Older hospitalized participants had significantly greater cognitive impairment than younger hospitalized participants, which suggested increased susceptibility to effects of hospitalization on cognition.ConclusionsPatients hospitalized without brain injury, and especially elderly patients, should be carefully monitored for cognitive deficits that may affect posthospitalization quality of living. Further research is needed to determine whether the cognitive deficits in such patients persist after discharge and affect functional independence, and to identify mechanisms for the deficits. Furthermore, the use of hospitalized participants without brain injury as control subjects in neuropsychological studies of brain injury should be balanced with an additional comparison group of matched, neurologically healthy, normal subjects who live in the community to control for cognitive impairments that are associated with acute hospitalization.
Periodicity of hermitianK-groups
Authors: Berrick A. J. , Karoubi M. , Østvær P. A. 
Published: May 2011

AbstractBott periodicity for the unitary and symplectic groups is fundamental to topologicalK-theory. Analogous to unitary topologicalK-theory, for algebraicK-groups with finite coefficients, similar results are consequences of the Milnor and Bloch-Kato conjectures, affirmed by Voevodsky, Rost and others. More generally, we prove that periodicity of the algebraicK-groups for any ring implies periodicity for the hermitianK-groups, analogous to orthogonal and symplectic topologicalK-theory.The proofs use in an essential way higherKSC-theories, extending those of Anderson and Green. They also provide an upper bound for the higher hermitianK-groups in terms of higher algebraicK-groups.We also relate periodicity to étale hermitianK-groups by proving a hermitian version of Thomason's étale descent theorem. The results are illustrated in detail for local fields, rings of integers in number fields, smooth complex algebraic varieties, rings of continuous functions on compact spaces, and group rings.
Hippocampus, space, and memory
Authors: Olton David S. , Becker James T. , Handelmann Gail E. 
Published: May 2011

AbstractWe examine two different descriptions of the behavioral functions of the hippocampal system. One emphasizes spatially organized behaviors, especially those using cognitive maps. The other emphasizes memory, particularly working memory, a short-term memory that requires iexible stimulus-response associations and is highly susceptible to interference. The predictive value of the spatial and memory descriptions were evaluated by testing rats with damage to the hippocampal system in a series of experiments, independently manipulating the spatial and memory characteristics of a behavioral task. No dissociations were found when the spatial characteristics of the stimuli to be remembered were changed; lesions produced a similar deficit in both spatial and nonspatial test procedures, indicating that the hippocampus was similarly involved regardless of the spatial nature of the task. In contrast, a marked dissociation was found when the memory requirements were altered. Rats with lesions were able to perform accurately in tasks that could be solved exclusively on the basis of reference memory. They performed at chance levels and showed no signs of recovery even with extensive postoperative training in tasks that required working memory. In one experiment all the characteristics of the reference memory and working memory procedures were identical except the type of memory required. Consequently, the behavioral dissociation cannot be explained by differences in attention, motivation, response inhibition, or the type of stimuli to be remembered. As a result of these experiments we propose that the hippocampus is selectively involved in behaviors that require working memory, irrespective of the type of material (spatial or nonspatial) that is to be processed by that memory.
Neurolinguistics must be computational
Authors: Arbib Michael A. , Caplan David 
Published: May 2011

AbstractWe provide a threefold taxonomy of models in neurolinguistics: faculty models, which embrace the work of classical connectionists and holists and of such modern workers as Geschwind; process models, which are exemplified by the work of Luria, and which fractionate psycholinguistic tasks and ascribe the components to particular brain regions; and representational models, which use specific linguistic representations to build a psycholinguistic analysis of aphasic performance. We argue that further progress requires that neurolinguistics become more computational, using techniques from Artificial Intelligence to model the cooperative computation underlying language processing at a level of detail consonant with linguistic representations. Finally, we note that current neurolinguistics makes virtually no contact with the synapse-cell-circuit level of analysis characteristic of twentieth-century neuroscience. We suggest that the cooperative computation models we envisage provide the necessary intermediary between current neurolinguistic analysis and the utilization of the fruits of modern neuroanatomy, neurochemistry, and neurophysiology.