bluuebunny/crossref_metadata_2025_split huggingface dataset:
Identification of Novel Histamine H4 Ligands by Virtual Screening on Molecular Dynamics Ensembles
Authors: Kiss Róbert , Jójárt Balázs , Schmidt Éva , Kiss Béla , Keserű György M. 
Published: March 2014

AbstractWe report the identification of novel histamine H4 receptor ligands by ensemble docking on homology model conformers derived from molecular dynamics simulations. Selected receptor models from the trajectories demonstrated superior virtual screening performance compared to the initial models. The ensemble of the best models was able to retrieve a diverse set of known H4 ligands. Prospective virtual screening against these models and subsequent in vitro experimental validation identified novel H4 ligands. Compound 3 showing highest affinity and ligand efficiency represents an interesting scaffold for further medicinal chemistry exploration.
Numerical simulation on the cracking and failure law of compacted clay lining in landfill closure cover system
Authors: Xue Qiang , Zhao Ying , Li Zhen‐ze , Liu Lei 
Published: March 2014

SUMMARYAccording to the mass conservation equation of solid phase, water transport, air migration and enthalpy balance equations in a deformable and unsaturated porous medium, and the mechanics model, a thermal‐hydro‐mechanical (THM) coupling mathematical model is developed in order to accurately predict the crack propagation of the compacted clay lining (CCL) in a landfill closure cover system. Numerical simulation analysis of the cracking and failure of the CCL in a landfill closure cover system under complex conditions (landfill gas pressure, variation of soil surface temperature, moisture loss of coverage soil, and uneven settlement of landfilled MSW (municipal solid waste)) is performed. The results show that the cracks are discovered firstly on the soil surface and then extend to the deeper cover system and became bigger. The cracks had broken through the closure cover system at 30 days. Over the depth range of 0.06 m, the change rate of settlement is found to be the highest because of the strong influence of temperature. The rise of temperature around the cracks is fast when the CCL is broken through by the cracks. There is a hollow area near the cracks over the depth range from 0.15 to 0.7 m, and the temperature stabilize at around 11°C without any obvious reduction. Under the condition of evaporation, the main crack in the CCL is similar to a pumping well, which causes more rapid moisture content reduction around the cracks. Vertical deformation increases linearly with depth in the process of deformation and cracking of CCL induced by uneven settlement of landfilled MSW. Copyright © 2014 John Wiley & Sons, Ltd.
The influence of stents on microbial colonization of the airway in children after slide tracheoplasty: A 14‐year single‐center experience
Authors: Rijnberg Friso M. , Butler Colin R. , Speggiorin Simone , Fierens Anja , Wallis Colin , Nouraei Reza , McLaren Clare A. , Roebuck Derek J. , Hewitt Richard , Elliott Martin J. 
Published: March 2014

SummaryObjectivesThis study describes the microbial colonization profile of the airway in children after slide tracheoplasty (STP) with and without stents, and compares colonization to children undergoing cardiothoracic surgical procedures without airway related disease.MethodsA 14‐year retrospective single case note review was performed on patients undergoing STP and stent insertion. Nose and throat (NT) and bronchoalveolar lavage (BAL) specimens were analyzed for microbial profile and expressed as cumulative mean microorganisms per patient (MMP).ResultsForty‐three patients (median age ± SD 15.02 ± 31.76 months) underwent STP and 141 patients underwent cardiothoracic but no airway surgery (median age ± SD 31.7 ± 47.2 months). Sixteen patients required a stent after STP. One‐hundred seventy‐two positive microbial specimens were identified. The predominant 6 microorganisms were (1) Staphylococcus aureus; (2) Pseudomonas aeruginosa; (3) Haemophilus influenzae not type B; (4) Coliforms; (5) Streptococcus pneumoniae; and (6) Candida Albicans, and accounted for 128 (74%) of all positive specimens found. Children with stents had more MMP compared to children without stents after STP [4.06 ± 2.38 and 2.04 ± 2.24 MMP (P < 0.001), respectively]. Both groups of children after STP had more MMP compared to the control group (P < 0.001). Children with stents had more microbial colonization of their lower respiratory tract compared to their upper respiratory tract (3.36 ± 2.02 and 1.36 ± 0.93 MMP (P < 0.01) respectively). Staphylococcus aureus colonization of the lower respiratory tract was significantly higher in children with stents compared to children without stents after STP [0.5 and 0.15 MMP (P < 0.05) respectively].ConclusionsThis study indicates airway surgery and the subsequent use of stents to be a significant risk factor for microbial colonization of the airway in children. More specifically airway stents appear to increase colonization in the distal airway, which appears unrelated to that of the upper respiratory tract. Pediatr Pulmonol. 2015; 50:79–84. Pediatr Pulmonol. 2015; 50:???–???. © 2014 Wiley Periodicals, Inc.
GaN microwave varactors with insulated electrodes
Authors: Gaevski Mikhail , Deng Jianyu , Gaska Remis , Shur Michael , Simin Grigory 
Published: March 2014

AbstractWe report on GaN microwave varactors with capacitively coupled isolated electrodes. Metal‐insulator‐semiconductor (MIS) varactors have 4–5 orders of magni‐tude lower leakage currents than similar devices with Schottky contacts. Low leakage capacitively coupled contacts enable microwave switches and power limiters with low loss, high RF power and excellent temperature stability up to at least 200 °C. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Threading screw dislocations in GaN by the Heyd‐Scuseria‐Ernzerhof hybrid functional
Authors: Matsubara Masahiko , Pizzagalli Laurent , Bellotti Enrico 
Published: March 2014

AbstractThreading screw dislocations in wurtzite GaN are studied using Heyd‐Scuseria‐Ernzerhof hybrid functional with in generalized Kohn‐Sham scheme. Several types of core structures, both stoichiometric and non‐stoichiometric, are constructed from the unconventional dislocation line position. We computed the formation energies and compared their stabilities systematically. For the open core type structure, the equilibrium diameter is ˜ 4.9 Å. With the intermediate value of Ga chemical potential, the Ga‐filled type dislocation core, where N atoms near the dislocation line are removed and only Ga atoms exist, becomes the most stable structure. This dislocation core does not introduce deep empty states into the band gap, but introduces deep filled states originated from the Ga–Ga wrong bonds of Ga atoms located along the dislocation core. This leads to the band gap narrowing and degrades the electronic properties such as breakdown voltage. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Strain relaxation and dislocation reduction in AlGaN step‐graded buffer for crack‐free GaN on Si (111)
Authors: Leung Benjamin , Han Jung , Sun Qian 
Published: March 2014

AbstractGaN growth on Si (111) with reduced dislocation density and wafer bow requires the implementation of strain‐compensation techniques to counter the thermal expansion mismatch‐related tensile stresses. The ability to design the optimal buffer layer strategy for GaN growth on Si (111) relies on the knowledge of the relaxation processes that occur during the growth. In the AlGaN step‐graded buffer, the processes are complex, making it difficult to optimize the layer thicknesses, number of layers and compositions. Here, investigation of the relaxation processes as related to the microstructural evolution within the layers is performed. It is found that the use of x‐ray diffraction measurements of both line width broadening and relaxation reveal the characteristics of the dominant relaxation process of inclination of edge‐type dislocation. The methods and results presented here are expected to aid in the optimization for growth of improved quality and wafer bow‐free GaN on Si (111). (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Evaluation of a Clinical Genetics Service – A Quality Initiative
Authors: Elliott Alison M. , Chodirker Bernard N. , Bocangel Patricia , Mhanni Aizeddin A. 
Published: March 2014

AbstractPaper‐based surveys are an effective means of evaluating the quality of a clinical service. As part of ongoing quality improvement initiatives within our Genetics Program, new patients were invited to participate in a paper‐based survey. Issues related to the quality of counseling based on educational/informational aspects (e.g. whether testing was explained fully, testing options, the meaning of normal/abnormal testing), competency, respect and nondirectiveness of counseling in addition to clinical environment/setting were evaluated. Data related to demographics, discipline seen within the program and whether the patient was seen by a physician or genetic counselor were also captured. Five hundred questionnaires were distributed. One hundred and forty‐seven questionnaires were returned, with a response rate of 29.4 %. The majority of patients seen were prenatal (pregnant) patients and comprised a heterogeneous group including those seen for advanced maternal age and abnormal maternal serum screening. Overall, 98.6 % of respondents felt their appointment in genetics was a positive experience. Issues related to confidentiality, pros and cons of testing, meaning of an abnormal test result and time allotted for decision making were significantly different in some disciplines between genetic counselor and geneticist. However, when controlling for referral indication, these differences lost significance with the exception of issues relating to confidentiality and perceived time allotted to organize thoughts and questions. This survey provided valuable information to allow for improvement in the quality of the provision of service.
Undecanoic and 10‐Undecenoic Acid‐Based Amidobetaines and Amidoamine Oxides
Authors: Akula Shivaraju , Nayak Rati Ranjan , Kanjilal Sanjit 
Published: March 2014

AbstractThree types of undecanoic and 10‐undecenoic acid‐based surfactants were synthesized in the present work: amphoteric amidobetaines, cationic amidobetaine chlorides and nonionic amidoamine oxides. Structural characterizations of synthesized compounds were based on nuclear magnetic resonance (NMR) (1H and 13C) and mass spectrometry. Surface properties, such as critical micelle concentration (CMC), surface tension at cmc (γcmc), efficiency of surface adsorption (pC20), surface excess (Γmax) and minimum area per molecule (Amin) at the air–water interface, were determined by surface tension methods. Fluorescence probing techniques were also employed for the measurement of CMC, as well as steady state anisotropy (r) at the micellar core. The CMC of the studied surfactants follow the order: amidobetaine > amidobetaine chloride > amidoamine oxide. The influence of the terminal double bond in the hydrophobic alkyl chain on CMC was also assessed, and a significant increase in CMC was found due to the introduction of the double bond in the cases of amidobetaine chlorides and amidoamine oxides. These two types of surfactants showed higher rigidity at the micellar core compared to their corresponding unsaturated counterparts. However, such influence of unsaturation on the hydrophobic moiety was not observed in the case of amidobetaines. In all three types of surfactants, the saturated surfactant exhibited a lower γcmc and Amin, but higher Γmax, r and pC20 compared to its unsaturated counterpart.
That-variation in German and Spanish L2 English
Authors: WULFF STEFANIE , LESTER NICHOLAS , MARTINEZ-GARCIA MARIA T. 
Published: March 2014

abstractIn certain English finite complement clauses, inclusion of the complementizerthatis optional. Previous research has identified various factors that influence when native speakers tend to produce or omit the complementizer, including syntactic weight, clause juncture constraints, and predicate frequency. The present study addresses the question to what extent German and Spanish learners of English as a second language (L2) produce and omit the complementizer under similar conditions. 3,622 instances of English adjectival, object, and subject complement constructions were retrieved from theInternational Corpus of Englishand the German and Spanish components of theInternational Corpus of Learner English. A logistic regression model suggests that L2 learners’ and natives’ production is largely governed by the same factors. However, in comparison with native speakers, L2 learners display a lower rate of complementizer omission. They are more impacted by processing-related factors such as complexity and clause juncture, and less sensitive to verb-construction cue validity.
Sitka spruce insects: past, present and future
Authors: Evans Hugh F. 
Published: March 2014

SynopsisThe status of insects on Sitka spruce in Britain is examined in relation to the attributes of this tree as a widely planted exotic. Both time in Britain and particularly the area planted influence insect species diversity. The abundance and status of selected insects of pest importance are examined. Future trends receive attention, particularly in relation to potential importation of pest insects and this is examined for a number of species from Europe and North America.
Existence and multiplicity of solutions of Schrödinger—Poisson systems with radial potentials
Authors: Li Anran , Su Jiabao , Zhao Leiga 
Published: March 2014

In this paper, we deal with the nonlinear Schrödinger–Poisson systemwhere λ > 0, V and Q are radial functions, which can be vanishing or coercive at ∞. With assumptions on f just in a neighbourhood of the origin, existence and multiplicity of non-trivial radial solutions are obtained via variational methods. In particular, if f is sublinear and odd near the origin, we obtain infinitely many solutions of (SP)λ for any λ < 0.
Preclinical Alzheimer's disease
Authors: Gil-Gregorio P , Yubero-Pancorbo R 
Published: March 2014

SummaryRecently, diagnostic criteria for preclinical Alzheimer's disease have been proposed. These describe and define three stages of disease. Stage I is focused on asymptomatic cerebral amyloidosis. Stage II includes evidence of synaptic dysfunction and/or early degeneration. Finally, stage III of the disease is characterized by the beginning of cognitive decline.
High-fidelity Human Patient Simulators Compared with Human Actors in an Unannounced Mass-Casualty Exercise
Authors: Schulz Christian M. , Skrzypczak Matthias , Raith Stefan , Hinzmann Dominik , Krautheim Veronika , Heuser Fabian , Mayer Valentin , Kreuzer Christoph , Himsl Meike , Holl Michael , Lipp Christina , Kochs Eberhard F. , Wagner Klaus J. 
Published: March 2014

AbstractHigh-fidelity simulators (HFSs) have been shown to prompt critical actions at a level equal to that of trained human actors (HAs) and increase perceived realism in intrahospital mass-casualty incident (MCI) exercises. For unannounced prehospital MCI exercises, however, no data are available about the feasibility of incorporating HFSs. This case report describes the integration of HFSs in such an unannounced prehospital MCI drill with HAs and provides data about the differences concerning triage, treatment, and transport of HFSs and HAs with identical injury patterns. For this purpose, 75 actors and four high-fidelity simulators were subdivided into nine groups defined by a specific injury pattern. Four HFSs and six HAs comprised a group suffering from traumatic brain injury and blunt abdominal trauma. Triage results, times for transport, and number of diagnostic and therapeutic tasks were recorded. Means were compared by t test or one-way ANOVA.Triage times and results did not differ between actors and simulators. The number of diagnostic (1.25, SD = 0.5 in simulators vs 3.5, SD = 1.05 in HAs; P = .010) and therapeutic tasks (2.0, SD = 1.6 in simulators vs 4.8, SD = 0.4 in HAs; P = .019) were significantly lower in simulators. Due to difficulties in treating and evacuating the casualties from the site of the accident in a timely manner, all simulators died. Possible causal factors and strategies are discussed, with the aim of increasing the utility of simulators in emergency medicine training.SchulzCM, SkrzypczakM, RaithS, HinzmannD, KrautheimV, HeuserF, MayerV, KreuzerC, HimslM, HollM, LippC, KochsEF, WagnerKJ. High-fidelity human patient simulators compared with human actors in an unannounced mass-casualty exercise. Prehosp Disaster Med. 2014;29(2):1-7.
Christian America? Understanding the Link between Churches, Attitudes, and “Being American” among Latino Immigrants
Authors: Taylor J. Benjamin , Gershon Sarah Allen , Pantoja Adrian D. 
Published: March 2014

AbstractIn recent decades, Evangelical churches in the United States have expanded their outreach to Latino immigrants, seeking to incorporate these new Americans into their churches. We investigate the implications of this movement by examining the impact of church affiliation on Latino immigrants’ conceptions of what it means to be “fully American.” Relying on the 2006 Latino National Survey, we find that church affiliation significantly impacts immigrants’ beliefs about what it means to “be American” in the eyes of other Americans and the likelihood of identifying themselves as “American.” Specifically, Protestant Latinos (be they mainline or Evangelical) are more likely than Catholic Latinos (the majority of Latinos) to identify as American and to believe that Americans think being a Christian is a defining feature of American identity. We conclude by discussing the implications of our findings.
Overcoming inherent resistance to histone deacetylase inhibitors in multiple myeloma cells by targeting pathways integral to the actin cytoskeleton
Authors: Mithraprabhu S , Khong T , Spencer A 
Published: March 2014

AbstractHistone deacetylase inhibitors (HDACi) are novel chemotherapeutics undergoing evaluation in clinical trials for the potential treatment of patients with multiple myeloma (MM). Although HDACi have demonstrable synergy when combined with proteasome inhibitors (PIs), recent evidence indicates that combination of HDACi and PI is beneficial only in a subset of patients with advanced MM, clearly indicating that other rational combinations should be explored. In this context we hypothesized that understanding the molecular signature associated with inherent resistance to HDACi would provide a basis for the identification of therapeutic combinations with improved clinical efficacy. Using human myeloma cell lines (HMCL) categorized as sensitive, intermediate or resistant to HDACi, gene expression profiling (GEP) and gene ontology enrichment analyses were performed to determine if a genetic signature associated with inherent resistance to HDACi-resistance could be identified. Correlation of GEP to increasing or decreasing sensitivity to HDACi indicated a unique 35-gene signature that was significantly enriched for two pathways – regulation of actin cytoskeleton and protein processing in endoplasmic reticulum. When HMCL and primary MM samples were treated with a combination of HDACi and agents targeting the signaling pathways integral to the actin cytoskeleton, synergistic cell death was observed in all instances, thus providing a rationale for combining these agents with HDACi for the treatment of MM to overcome resistance. This report validates a molecular approach for the identification of HDACi partner drugs and provides an experimental framework for the identification of novel therapeutic combinations for anti-MM treatment.
Predictive modeling of gingivitis severity and susceptibility via oral microbiota
Authors: Huang Shi , Li Rui , Zeng Xiaowei , He Tao , Zhao Helen , Chang Alice , Bo Cunpei , Chen Jie , Yang Fang , Knight Rob , Liu Jiquan , Davis Catherine , Xu Jian 
Published: March 2014

Abstract
Predictive modeling of human disease based on the microbiota holds great potential yet remains challenging. Here, 50 adults underwent controlled transitions from naturally occurring gingivitis, to healthy gingivae (baseline), and to experimental gingivitis (EG). In diseased plaque microbiota, 27 bacterial genera changed in relative abundance and functional genes including 33 flagellar biosynthesis-related groups were enriched. Plaque microbiota structure exhibited a continuous gradient along the first principal component, reflecting transition from healthy to diseased states, which correlated with Mazza Gingival Index. We identified two host types with distinct gingivitis sensitivity. Our proposed microbial indices of gingivitis classified host types with 74% reliability, and, when tested on another 41-member cohort, distinguished healthy from diseased individuals with 95% accuracy. Furthermore, the state of the microbiota in naturally occurring gingivitis predicted the microbiota state and severity of subsequent EG (but not the state of the microbiota during the healthy baseline period). Because the effect of disease is greater than interpersonal variation in plaque, in contrast to the gut, plaque microbiota may provide advantages in predictive modeling of oral diseases.
Segmental and Prosodic Approaches to Accent Management
Authors: Behrman Alison 
Published: March 2014

PurposeThis study investigated the relative outcomes of segmental and prosodic training of nonnative speakers of American English.MethodThe study used a single-subject, alternating treatments, multiple baseline design with replication across participants and counterbalanced for order effect. Participants were 4 adult male native Hindi speakers proficient in English. Two participants received ABABCACA (A = baseline/withdrawal, B = segmental training, C = prosody training), and 2 participants received ACACBABA, with a minimum of 5 sessions per phase. Segmental accuracy and prosodic accuracy were probed at each session, as were perception of accentedness and ease of understanding.ResultsVisual assessment of data and effect size calculation demonstrated that segmental and prosody training resulted in increased accuracy of pronunciation and prosody patterns, respectively, and those improvements appeared to be maintained over the short term. Listeners perceived lesser accent and easier understanding as a result of the combination of segmental and prosody training. The findings are uncertain with respect to the relative contribution of segmental and prosody training, and they may be speaker dependent, but the data do suggest that both components are important.ConclusionAccent management, consisting of both segmental and prosody training, yielded positive outcomes. Further research with native language speakers of other languages is important to verify and expand on these findings.
The endeavor of total synthesis and its impact on chemistry, biology and medicine
Authors: Nicolaou K. C. , Hale Christopher R. H. 
Published: March 2014

AbstractThe synthesis of urea in 1828 set in motion the discipline of organic synthesis in general and of total synthesis in particular, the art and science of synthesizing natural products, the molecules of living nature. Early endeavors in total synthesis had as their main objective the proof of structure of the target molecule. Later on, the primary goal became the demonstration of the power of synthesis to construct complex molecules through appropriately devised strategies, making the endeavor an achievement whose value was measured by its elegance and efficiency. While these objectives continue to be important, contemporary endeavors in total synthesis are increasingly focused on practical aspects, including method development, efficiency, and biological and medical relevance. In this article, the emergence and evolution of total synthesis to its present state is traced, selected total syntheses from the author's laboratories are highlighted, and projections for the future of the field are discussed.