bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Importance of the DFT method on the computation of the second hyperpolarizability of semiconductor clusters of increasing size: A critical analysis on prolate aluminum phosphide clusters
Authors: Karamanis Panaghiotis 
Published: July 2011

AbstractThe importance of the density functional theory (DFT) methods on the computation of cluster hyperpolarizabilities is discussed. The performance of the conventional BLYP, BP86, BPW91, B3LYP, B3PW91, and B3P86 functionals in the computation of the second hyperpolarizability of aluminum phosphide prolate clusters up to 60 atoms is compared with the “half and half functionals” BHandH and BHandHLYP and to the long‐range corrected functionals LC‐(BLYP, BP86, BPW91), CAM‐B3LYP, and wB97XD. The presented results demonstrate that when long‐range corrections are incorporated on pure and hybrid functionals their performance is vastly affected. What is more, the obtained DFT results are compared with second‐order Møller–Plesset perturbation theory (MP2) all electron calculations. It is shown that all the long‐range outcomes are bracketed by the MP2 and Hatree–Fock (HF) values. The relative ordering of the obtained longitudinal hyperpolarizabilities follows strictly the trend MP2 > CAM‐B3LYP > wB97XD > LC‐(BLYP, BP86, BPW91) > HF. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
Japanese sentence pattern learning with the use of illustrative examples extracted from the web
Authors: Han Dongli , Song Xin 
Published: July 2011

AbstractIt is quite difficult for a foreigner to compose a Japanese sentence comparing with the case of speaking Japanese. Two main factors are supposed to be leading to this situation. One is the scale of Japanese vocabulary and another is the variousness of Japanese sentence patterns. As most Kanji characters are common in Chinese and Japanese, the more confusing issue for native Chinese‐speaking foreigners is the latter one. There are many sentence patterns in Japanese to express different meanings in various situations. In this paper, we first make a survey on existing strategies to support foreigners to compose Japanese sentences, and then develop a system for native Chinese‐speaking foreigners to learn Japanese sentence patterns with the use of illustrative examples extracted from the Web in a practical and convenient way. Finally, we conduct some experiments to examine the effectiveness of our approach. © 2011 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Viscoelastic properties, morphology, and thermal stability of rigid and plasticized poly(vinyl chloride)/poly(methyl methacrylate) blends
Authors: Aouachria Kamira , Belhaneche‐Bensemra Naima , Massardier‐Nageotte V. 
Published: July 2011

AbstractViscoelastic properties, morphology, and thermal stability of rigid and plasticized poly(vinyl chloride)/poly (methyl methacrylate) (PVC/PMMA) blends were studied. For that purpose, blends of variable composition from 0 to 100 wt% were prepared in the presence (15, 30, and 50 wt%) and in the absence of di(2‐ethylhexyl) phthalate as plasticizer. Their miscibility was investigated by using dynamic mechanical thermal analysis (DMTA) and scanning electron microscopy (SEM). The DMTA and SEM results showed that the two polymers are miscible. Thermogravimetric studies on these blends were carried out in a flowing atmosphere of air from ambient temperature to 550°C. The results showed that the thermal degradation of rigid and plasticized PVC/PMMA in this broad range of temperature is a three‐step process and that PMMA exerted a stabilizing effect on the thermal degradation of PVC during the first step by reducing the rate of dehydrochlorination. J. VINYL ADDIT. TECHNOL., 2011. © 2011 Society of Plastics Engineers
Wavefunction methods for noncovalent interactions
Authors: Hohenstein Edward G. , Sherrill C. David 
Published: July 2011

AbstractNoncovalent interactions remain poorly understood despite their importance to supramolecular chemistry, biochemistry, and materials science. They are an ideal target for theoretical study, where interactions of interest can be probed directly, free from competing secondary interactions. However, the most popular tools of computational chemistry are not particularly reliable for noncovalent interactions. Here we review recent works in wavefunction‐based quantum chemistry techniques aimed at greater accuracy and faster computations for these systems. We describe recent developments in high‐accuracy benchmarks, a variety of recent wavefunction methods with promise for noncovalent interactions, various approximations to speed up these methods, and recent advances in wavefunction‐based symmetry‐adapted perturbation theory, which provides not only interaction energies but also their decomposition into physically meaningful components. Together, these advances are currently extending robust, accurate computations of noncovalent interactions from systems with around one dozen heavy atoms up to systems with several dozens of heavy atoms. © 2011 John Wiley & Sons, Ltd.This article is categorized under:

Electronic Structure Theory > Ab Initio Electronic Structure Methods
Alternative in vitro assays in nanomaterial toxicology
Authors: Hartung Thomas , Sabbioni Enrico 
Published: July 2011

AbstractNanomaterials are acclaimed for their novel properties, for which broad new uses are being discovered with increasing frequency. It is obvious that, as the properties change, unwanted properties (toxicity) are to be expected as well. Current toxicology, however, is already overwhelmed with the challenge of addressing new chemicals, not to mention the enormous number of old chemicals never properly assessed. Limitations of traditional approaches range from animal welfare issues, which were a strong driving force for alternative approaches (the 3Rs concept) over the last two decades, to aspects of throughput and accuracy of the predicted toxicities. The latter has prompted discussion about a revolutionary change in chemical safety assessment, now known as Toxicology for the 21st Century (Tox‐21c). The multitude of possible formulations of nanomaterials to be assessed for novel toxic properties makes these alternative approaches especially attractive, given the well recognized limitations of traditional animal‐based approaches—limitations that might be even more pronounced for nanomaterials, which have notably altered biokinetics. WIREs Nanomed Nanobiotechnol 2011 3 545–573 DOI: 10.1002/wnan.153This article is categorized under:

Toxicology and Regulatory Issues in Nanomedicine > Toxicology of Nanomaterials
Nanoscale thermal analysis for nanomedicine by nanocalorimetry
Authors: Yi Feng , La Van David A. 
Published: July 2011

AbstractMicrofabricated nanocalorimeters sensitively measure the thermal properties of nanomaterials and can be used for biomedical and in vitro measurements. This review examines the capabilities of nanocalorimeters including specific applications to nanomedicine such as measurements of nanomaterial stability, protein crystallization, ligand–protein binding, phase transitions, phase separations, interfacial reactions, and sorption–desorption phenomena. Widespread adoption of nanotechnology into clinical medicine will require a more complete understanding of the basic properties of nanomaterials, the relationship between nanomaterial processing, and physical properties and a deeper understanding of how nanomaterial physical properties control biological interactions. Nanocalorimetry is suitable where high sensitivity and high‐rate thermal and thermodynamic measurements are needed. Because of their small size and rapid measurement speed, nanocalorimeters can be used for single measurements or with high throughput automation. WIREs Nanomed Nanobiotechnol 2012, 4:31–41. doi: 10.1002/wnan.155This article is categorized under:

Diagnostic Tools > Biosensing
Therapeutic Approaches and Drug Discovery > Emerging Technologies
Nanotechnology Approaches to Biology > Nanoscale Systems in Biology
Potential role of atomic force microscopy in systems biology
Authors: Ramachandran Srinivasan , Teran Arce Fernando , Lal Ratnesh 
Published: July 2011

AbstractSystems biology is a quantitative approach for understanding a biological system at its global level through systematic perturbation and integrated analysis of all its components. Simultaneous acquisition of information data sets pertaining to the system components (e.g., genome, proteome) is essential to implement this approach. There are limitations to such an approach in measuring gene expression levels and accounting for all proteins in the system. The success of genomic studies is critically dependent on polymerase chain reaction (PCR) for its amplification, but PCR is very uneven in amplifying the samples, ineffective in scarce samples and unreliable in low copy number transcripts. On the other hand, lack of amplifying techniques for proteins critically limits their identification to only a small fraction of high concentration proteins. Atomic force microscopy (AFM), AFM cantilever sensors, and AFM force spectroscopy in particular, could address these issues directly. In this article, we reviewed and assessed their potential role in systems biology. WIREs Syst Biol Med 2011 3 702–716 DOI: 10.1002/wsbm.154This article is categorized under:

Laboratory Methods and Technologies > Genetic/Genomic Methods
Laboratory Methods and Technologies > Proteomics Methods
Modeling of spatially‐restricted intracellular signaling
Authors: Neves Susana R. 
Published: July 2011

AbstractUnderstanding the signaling capabilities of a cell presents a major challenge, not only due to the number of molecules involved, but also because of the complex network connectivity of intracellular signaling. Recently, the proliferation of quantitative imaging techniques has led to the discovery of the vast spatial organization of intracellular signaling. Computational modeling has emerged as a powerful tool for understanding how inhomogeneous signaling originates and is maintained. This article covers the current imaging techniques used to obtain quantitative spatial data and the mathematical approaches used to model spatial cell biology. Modeling‐derived hypotheses have been experimentally tested and the integration of modeling and imaging approaches has led to non‐intuitive mechanistic insights. WIREs Syst Biol Med 2012, 4:103–115. doi: 10.1002/wsbm.155This article is categorized under:

Models of Systems Properties and Processes > Mechanistic Models
Enriching the Genetic Counseling Recruitment Pipeline: A National Cross‐Sectional Study of Public High School Counselors
Authors: Kumaravel Sharanya N. , Tabangin Meredith E. , Sebera Kerry E. , Warren Nancy Steinberg 
Published: July 2011

AbstractEarly awareness of careers is helpful in recruiting students into a career pipeline. School counselors are among the top resources that students turn to when seeking advice about choosing their career. Studies show that high school is the ideal time to generate interest in the genetic counseling career, especially for minorities. This novel study of 291 high school counselors working in ethnically diverse public school districts in the United States examined to what extent members of this important group discuss genetic counseling as a career option with their students. The findings indicate that the majority of school counselors in this study (83%) did not discuss genetic counseling with their students, citing a lack of resources and lack of student interest as the major barriers. Suggestions of ways to increase high school counselors’ awareness of the genetic counseling career in order to enhance the goal of enriching recruitment of ethnic minorities into the genetic counseling pipeline are presented.
Existence of self-dual non-topological solutions in the Chern–Simons Higgs model
Authors: Choe Kwangseok , Kim Namkwon , Lin Chang-Shou 
Published: July 2011

In this paper we investigate the existence of non-topological solutions of the Chern–Simons Higgs model in

\mathbb{R}^{2}

. A long standing problem for this equation is: Given

N

vortex points and

\beta > 8\pi (N + 1)

, does there exist a non-topological solution in

\mathbb{R}^{2}

such that the total magnetic flux is equal to

\beta / 2

? In this paper, we prove the existence of such a solution if

\beta \notin \{8\pi N\frac{k}{k−1}|k = 2,…,N\}

. We apply the bubbling analysis and the Leray–Schauder degree theory to solve this problem.

Résumé

Lʼobjectif de cet article est de prouver lʼexistence de solutions non-topologiques du modèle de Chern–Simons Higgs dans

\mathbb{R}^{2}

. Un problème de longue date existe pour cette équation : Soit

N

points vortex et

\beta > 8\pi (N + 1)

, existe-t-il une solution non-topologique dans

\mathbb{R}^{2}

telle que le flux magnétique total est égal à

\beta / 2

? Dans cet article, nous prouvons lʼexistence dʼune solution pour

\beta \notin \{8\pi N\frac{k}{k−1}|k = 2,…,N\}

. Nous appliquons lʼanalyse par bulles et la theorie de Leray–Schauder pour résoudre ce problème.
Anesthesia in presymptomatic Alzheimer's disease: A study using the triple‐transgenic mouse model
Authors: Tang Junxia X. , Mardini Feras , Caltagarone Breanna M. , Garrity Sean T. , Li Rosie Q. , Bianchi Shannon L. , Gomes Olubusola , Laferla Frank M. , Eckenhoff Roderic G. , Eckenhoff Maryellen F. 
Published: July 2011

BackgroundExperimental evidence suggests that anesthetics accelerate symptomatic neurodegenerative disorders such as Alzheimer's disease (AD). Because AD pathology precedes symptoms, we asked ourselves whether anesthetic exposure in the presymptomatic interval accelerated neuropathology and appearance of symptoms.MethodsTriple‐transgenic AD mice were exposed to general aesthetics, either halothane or isoflurane, at 2, 4, and 6 months of age, they then underwent water maze cognitive testing 2 months later, and subsequently their brains were analyzed using enzyme‐linked immunosorbent assay, immunoblots, and immunohistochemistry for amyloid and tau pathology and biomarkers.ResultsLearning and memory improved after halothane exposure in the 2‐month‐old group relative to controls, but no changes were noted in the isoflurane group. When gender was examined in all age groups, females exposed to halothane performed better as compared with those exposed to isoflurane or controls. Therefore, improvement in the 2‐month exposure group is most likely because of a gender effect. Level of phospho‐tau in the hippocampus was significantly increased 2 months after anesthesia, especially in the 6‐month exposure group, but changes in amyloid, caspase, microglia, or synaptophysin levels were not detected.ConclusionsThese results indicate that exposure to two different inhalation‐type anesthetics during the presymptomatic phase of AD does not accelerate cognitive decline, after 2 months, and may cause a stress response, marked by hippocampal phosphorylated tau, resulting in preconditioning against the ongoing neuropathology, primarily in female mice.
Pectin and high-amylose maize starch increase caecal hydrogen production and relieve hepatic ischaemia–reperfusion injury in rats
Authors: Nishimura Naomichi , Tanabe Hiroki , Sasaki Yumi , Makita Yui , Ohata Misako , Yokoyama Saori , Asano Mami , Yamamoto Tatsuro , Kiriyama Shuhachi 
Published: July 2011

We investigated whether the feeding of high H2-generating dietary fibre and resistant starch (RS) could suppress hepatic ischaemia–reperfusion (IR) injury, which results from oxidative stress, in rats fed a pectin (Pec) or high-amylose maize starch (HAS) diet. Male Sprague–Dawley rats were fed a control (C) diet, with or without Pec (0–5 % Pec) or HAS (0–30 % HAS) supplementation for 7 d. Portal H2concentration showed a significant dose-dependent increase with the amount of Pec or HAS supplementation. Plasma alanine and aspartate aminotransferase activities remarkably increased in the C rats (5 % cellulose) due to IR treatment, while it decreased significantly or showed tendencies to decrease in 5 % Pec and 20 % HAS diet-fed rats. The hepatic oxidised glutathione (GSSG):total glutathione ratio increased significantly in IR rats maintained on the C diet compared with sham-operated rats. On the other hand, reduced glutathione (GSH):total glutathione and GSH:GSSG ratios decreased significantly. The GSSG:total glutathione ratio that increased due to IR treatment decreased significantly on HAS and Pec intake, while GSH:total glutathione and GSH:GSSG ratios increased significantly. Hepatic sinusoids of IR rats fed the C diet were occluded, but those of IR rats fed the Pec diet were similar to those in the sham-operated rats. In conclusion, we found that Pec or HAS, which enhance H2generation in the large intestine, alleviated hepatic IR injury. The present study demonstrates another physiological significance of dietary fibre and RS.
Efficacy of the cyclooctadepsipeptide PF1022A againstHeligmosomoides bakeri in vitroandin vivo
Authors: NWOSU UZOMA , VARGAS MIREILLE , HARDER ACHIM , KEISER JENNIFER 
Published: July 2011

SUMMARYThe cyclooctadepsipeptide PF1022A derived from the fungus,Mycelia sterilia, is characterized by a broad spectrum of activity against different parasitic gastrointestinal nematodes of livestock. In the present work the anthelmintic activity of PF1022A againstHeligmosomoides bakeri, a widely used laboratory model was studied. Albendazole, ivermectin and levamisole served as reference.In vitro, PF1022A showed low activity on embryonation but significantly inhibited egg hatch (10 and 100μg/ml), whereas albendazole (10 and 100μg/ml) revealed statistically significant inhibitions of both embryonation and egg hatch. PF1022A (1–100μg/ml) completely inhibited larval movement at most examination points. Comparable significant anthelmintic activity on the larval stages ofH. bakeriwas observed with levamisole (48–100%), while slightly lower activities were observed with ivermectin (20–92%) and albendazole (0–87%) at 1–100μg/ml. PF1022A and levamisole significantly inhibited motility and egg release of adult worms, while albendazole and ivermectin failed to demonstrate activity. Significant worm burden reductions were achieved with PF1022A, levamisole and ivermectinin vivo. For example, at 0·125 mg/kg PF1022A a worm burden reduction of 91·8% was observed. The use of drug combinations did not further enhance thein vitroandin vivoactivity of PF1022A. In conclusion, further investigations are warranted with PF1022A, as the drug is characterized by significant larvicidal and nematocidal activityin vitroandin vivo.
Identification of a Nosema bombycis (Microsporidia) spore wall protein corresponding to spore phagocytosis
Authors: CAI SHUNFENG , LU XINGMENG , QIU HAIHONG , LI MINGQIAN , FENG ZHENZHEN 
Published: July 2011

SUMMARYLife-cycle stages of the microsporidia Nosema bombycis, the pathogen causing silkworm pebrine, were separated and purified by an improved method of Percoll-gradient centrifugation. Soluble protein fractions of late sporoblasts (spore precursor cells) and mature spores were analysed by two-dimensional polyacrylamide gel electrophoresis (2D-PAGE). Protein spots were recovered from gels and analysed by mass spectrometry. The most abundant differential protein spot was identified by database search to be a hypothetical spore wall protein. Using immunoelectron microscopy, we demonstrated that HSWP5 is localized to the exospore of mature spores and renamed it as spore wall protein 5 (NbSWP5). Further spore phagocytosis assays indicated that NbSWP5 can protect spores from phagocytic uptake by cultured insect cells. This spore wall protein may function both for structural integrity and in modulating host cell invasion.
Clarithromycin, a cytochrome P450 inhibitor, can reverse mefloquine resistance in Plasmodium yoelii nigeriensis- infected Swiss mice
Authors: TRIPATHI RENU , PANDEY SWAROOP KUMAR , RIZVI AMBER 
Published: July 2011

SUMMARYDuring the last 2 decades there have been numerous reports of the emergence of mefloquine resistance in Southeast Asia and nearly 50% resistance is reported in Thailand. A World Health Organization report (2001) considers mefloquine as an important component of ACT (artesunate+mefloquine) which is the first line of treatment for the control of uncomplicated/multi-drug resistant (MDR) Plasmodium falciparum malaria. In view of the emergence of resistance towards this drug, it is proposed to develop new drug combinations to prolong the protective life of this drug. Prior studies have suggested that mefloquine resistance can be overcome by a variety of agents such as ketoconazole, cyproheptadine, penfluridol, Icajine and NP30. The present investigation reports that clarithromycin (CLTR), a new macrolide, being a potent inhibitor of Cyt. P450 3A4, can exert significant resistance reversal action against mefloquine resistance of plasmodia. Experiments were carried out to find out the curative dose of CLTR against multi-drug resistant P. yoelii nigeriensis. Mefloquine (MFQ) and clarithromycin (CLTR) combinations have been used for the treatment of this MDR parasite. Different dose combinations of these two drugs were given to the infected mice on day 0 (prophylactic) and day 1 with established infection (therapeutic) to see the combined effect of these combinations against the MDR malaria infection. With a dose of 32 mg/kg MFQ and 225 mg/kg CLTR, 100% cure was observed, while in single drug groups, treated with MFQ or CLTR, the cure was zero and 40% respectively. Therapeutically, MFQ and CLTR combinations 32+300 mg/kg doses cleared the established parasitaemia on day 10. Single treatment with MFQ or CLTR showed considerable suppression of parasitaemia on day 14 but neither was curative. Follow-up of therapeutically treated mice showed enhanced anti-malarial action as reflected by their 100% clearance of parasitaemia. The present study reveals that CLTR is a useful antibiotic to be used as companion drug with mefloquine in order to overcome mefloquine resistance in plasmodia.
Prevalence and co-infection of Toxoplasma gondii and Neospora caninum in Apodemus sylvaticus in an area relatively free of cats
Authors: THOMASSON D. , WRIGHT E. A. , HUGHES J. M. , DODD N. S. , COX A. P. , BOYCE K. , GERWASH O. , ABUSHAHMA M. , LUN Z.-R. , MURPHY R. G. , ROGAN M. T. , HIDE G. 
Published: July 2011

SUMMARYThe protozoan parasite Toxoplasma gondii is prevalent worldwide and can infect a remarkably wide range of hosts despite felids being the only definitive host. As cats play a major role in transmission to secondary mammalian hosts, the interaction between cats and these hosts should be a major factor determining final prevalence in the secondary host. This study investigates the prevalence of T. gondii in a natural population of Apodemus sylvaticus collected from an area with low cat density (<2·5 cats/km2). A surprisingly high prevalence of 40·78% (95% CI: 34·07%–47·79%) was observed despite this. A comparable level of prevalence was observed in a previously published study using the same approaches where a prevalence of 59% (95% CI: 50·13%–67·87%) was observed in a natural population of Mus domesticus from an area with high cat density (>500 cats/km2). Detection of infected foetuses from pregnant dams in both populations suggests that congenital transmission may enable persistence of infection in the absence of cats. The prevalences of the related parasite, Neospora caninum were found to be low in both populations (A. sylvaticus: 3·39% (95% CI: 0·12%–6·66%); M. domesticus: 3·08% (95% CI: 0·11%–6·05%)). These results suggest that cat density may have a lower than expected effect on final prevalence in these ecosystems.