bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hydrogen‐Bond Cooperativity in Formamide2–Water: A Model for Water‐Mediated Interactions
Authors: Blanco Susana , Pinacho Pablo , López Juan Carlos 
Published: June 2016

AbstractThe rotational spectrum of formamide2–H2O formed in a supersonic jet has been characterized by Fourier‐transform microwave spectroscopy. This adduct provides a simple model of water‐mediated interaction involving the amide linkages, as occur in protein folding or amide‐association processes, showing the interplay between self‐association and solvation. Mono‐substituted 13C, 15N, 18O, and 2H isotopologues have been observed and their data used to investigate the structure. The adduct forms an almost planar three‐body sequential cycle. The two formamide molecules link on one side through an N−H⋅⋅⋅O hydrogen bond and on the other side through a water‐mediated interaction with the formation of C=O⋅⋅⋅H−O and O⋅⋅⋅H−N hydrogen bonds. The analysis of the quadrupole coupling effects of two 14N‐nuclei reveals the subtle inductive forces associated to cooperative hydrogen bonding. These forces are involved in the changes in the C=O and C−N bond lengths with respect to pure formamide.
Accelerating the Association of the Most Stable Protein–Ligand Complex by More than Two Orders of Magnitude
Authors: Giese Christoph , Eras Jonathan , Kern Anne , Schärer Martin A. , Capitani Guido , Glockshuber Rudi 
Published: June 2016

AbstractThe complex between the bacterial type 1 pilus subunit FimG and the peptide corresponding to the N‐terminal extension (termed donor strand, Ds) of the partner subunit FimF (DsF) shows the strongest reported noncovalent molecular interaction, with a dissociation constant (KD) of 1.5×10−20 m. However, the complex only exhibits a slow association rate of 330 m−1 s−1 that limits technical applications, such as its use in affinity purification. Herein, a structure‐based approach was used to design pairs of FimGt (a FimG variant lacking its own N‐terminal extension) and DsF variants with enhanced electrostatic surface complementarity. Association of the best mutant FimGt/DsF pairs was accelerated by more than two orders of magnitude, while the dissociation rates and 3D structures of the improved complexes remained essentially unperturbed. A KD value of 8.8×10−22 m was obtained for the best mutant complex, which is the lowest value reported to date for a protein/ligand complex.
Removal of Pb2+and Cd2+from drinking water using polysaccharide extract isolated from cactus pads (Opuntia ficus indica)
Authors: Onditi Mariah , Adelodun Adedeji A. , Changamu Evans O. , Ngila Jane C. 
Published: June 2016

ABSTRACTThe use of a polysaccharide extract isolated from cactus pads (Opuntia ficus indica) as a low‐cost adsorbent for the removal of Pb2+and Cd2+from water was investigated. The Brunauer−Emmett−Teller study showed that the surface area of the extract powder was approximately 2.373 m2/g. Inductively coupled plasma optical emission spectrometry was used to monitor changes in ion concentrations during the adsorption. The adsorption mechanism was studied as a function of physicochemical variables such as initial metal ion concentration, adsorbent dosage, contact time, and pH of the solution. The results indicated that the adsorption percentage of the two cations increased with contact time, attaining equilibrium at 150 and 120 min for Cd2+and Pb2+, respectively. At these optimal times, the adsorption capacity of Pb2+and Cd2+increased with increasing pH. Langmuir, Freundlich, Toth, Dubinin–Radushkevich, Sips, and Redlich–Peterson isotherm models were thereafter applied to understand the adsorption mechanism. Theqeplot againstCefor the Toth isotherm model had the best fit with low error values and the highest correlation coefficient (R2) values of 0.9973 and 0.9953 for Pb2+and Cd2+, respectively. Therefore, the isotherm study reveals that the adsorption mechanism involved is complex because of the presence of different interactions (such as ionic exchange and coagulation), yielding maximum adsorption capacities of 256 and 151 gm/L for Pb2+and Cd2+, respectively. Generally, the polysaccharide extract exhibited higher adsorption capacity of Pb2+than of Cd2+under similar conditions. Besides the removal capacities reported in this study, the adsorbent regeneration and its reusability was also investigated. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2016,133, 43913.
Poly(ethylene glycol) crosslinked sulfonated polysulfone composite membranes for forward osmosis
Authors: Ding Xiaoli , Liu Zhiguang , Hua Mingming , Kang Te , Li Xu , Zhang Yuzhong 
Published: June 2016

ABSTRACTForward osmosis (FO) membranes were prepared by a coating method with poly(ethylene glycol) crosslinked sulfonated polysulfone (SPSf) as a selective layer. The poly(ether sulfone)/SPSf substrate was prepared by phase inversion. The composite membranes were characterized with respect to membrane chemistry (by attenuated total reflectance/Fourier transform infrared spectroscopy and X‐ray photoelectron spectroscopy), hydrophilicity (by static contact angle measurement), and surface morphology (by scanning electron microscopy and atomic force microscopy). The FO performance was also characterized. The effects of the crosslinker concentration on the hydrophilicity and FO performance were investigated. The crosslinked membrane exhibited a high hydrophilicity with a lowest contact angle of 15.5°. Under FO tests, the membranes achieved a higher water flux of 15.2 L m−2 h−1 when used against deionized water as the feed solution and a 2 mol/L sodium chloride (NaCl) solution as the the draw solution. The membranes achieved a magnesium sulfate rejection of 96% and an NaCl rejection of 55% when used against a 1 g/L inorganic salt solution as the feed solution and a 2 mol/L glucose solution as the draw solution. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43941.
Statistics on Ethnic Diversity in the Land of Papua, Indonesia
Authors: Ananta Aris , Utami Dwi Retno Wilujeng Wahyu , Handayani Nur Budi 
Published: June 2016

AbstractThis paper aims to quantitatively uncover ethnic diversity in multi‐ethnic Land of Papua, an Indonesian region with a large inflow of migration and rising ethno‐based movement, consisting of the Provinces of Papua and West Papua. It produces statistics on ethnic diversity in the Land of Papua, utilizing the tabulation provided by Statistics‐Indonesia based on the raw, 100 per cent, data set of the 2010 population census. It uses three measurements of ethnic diversity. First is ethnic fractionalization index, showing the degree of ethnic heterogeneity. Second is ethnic polarization index, examining the existence of few relatively large ethnic groups of almost the same sizes. Third is a comparison of percentages between migrant and Papuan groups.It finds that the Land of Papua is ethnically very heterogeneous, but not polarized. West Papua is more heterogeneous, but Papua is more polarized. However, seen from a dichotomy between migrants and Papuans, West Papua is very polarized.In‐migration may have increased the probability of having ethnic conflicts in the region but does not change the probability of the intensity of the conflicts. Therefore, ethnic conflicts should be anticipated whenever making programmes that involve in‐migrants or entice people to migrate into the Land of Papua.
Multilateralism and Regionalism in the South Pacific: World Trade Organization and Regional Fora as Complementary Institutions for Trade Facilitation
Authors: Pomfret Richard 
Published: June 2016

AbstractAs World Trade Organization (WTO) membership becomes almost universal, the Pacific island countries stand out as the largest group of outsiders. As the islands seek to replace reliance on preferential trading arrangements by competitive exports, market access and trade facilitation have become key policy concerns. In this context, WTO membership and regional or bilateral trade agreements are complementary institutions for increasing the potential success of new exports. The WTO sets out agreed principles for market access, and membership includes a dispute resolution process that provides redress against unjustified obstacles to exports, whilst trade facilitation in the sense of overcoming particular cost‐raising obstacles to trade is better delivered by regional and bilateral agreements. The argument is supported by evidence from Pacific and other small island economies.
Pharmacokinetic studies of a novel trioxane antimalarial (99/411) in rats and monkeys using LC–MS/MS
Authors: Pandey Saurabh , Gautam Nagsen , Kushwaha Hari Narayan , Singh Shio Kumar 
Published: June 2016

AbstractThe pharmacokinetic profile of 99/411, a novel anti‐malarial drug, was established in rats (12 mg/kg of body weight) and monkeys (20 mg/kg of body weight). Following oral administration, the presence of 99/411 was rapidly determined in rat plasma, tissues, urine, feces and monkey plasma using a validated LC–MS/MS method. The tissue distribution studies in rats indicated that the drug was partially distributed in all major tissues and plasma, and peak concentration levels were achieved within 0.5–4 h. Area under the curve in different rat tissues and plasma was found in order of blood > lung > intestine > heart > muscle > brain > kidney > spleen > liver. The total recoveries (within 86 h) of 99/411 were <0.0017% and <0.08% in urine and feces, respectively. The peak plasma concentration was 3499 ng/mL in rats after ~2 h of oral administration and 697–767 ng/mL in monkeys after ~6 h of oral administration. No plasma accumulation was observed in both male and female monkeys, even after multiple dosing. The preclinical pharmacokinetic profile and tissue distribution data are expected to assist in future clinical explorations of 99/411 as a promising anti‐malarial agent.
Review of clinical studies of perampanel in adolescent patients
Authors: Kim Heung Dong , Chi Ching‐Shiang , Desudchit Tayard , Nikanorova Marina , Visudtibhan Anannit , Nabangchang Charcrin , Chan Derrick W. S. , Fong Choong Yi , Chang Kai‐Ping , Kwan Shang‐Yeong , Reyes Fe De Los , Huang Chao‐Ching , Likasitwattanakul Surachai , Lee Wang‐Tso , Yung Ada , Dash Amitabh 
Published: June 2016

AbstractAimTo assess the clinical trial and real‐world data for adjunctive perampanel in adolescents and develop consensus recommendations to guide the use of perampanel in this population in clinical practice.MethodsIn May 2015, 15 epilepsy experts attended a Consensus Development Meeting to assess the clinical trial data for perampanel, specific to the adolescent age group (12‐17 years) and develop consensus treatment recommendations.Results and DiscussionAnalysis of the adolescent subgroup data of three pivotal placebo‐controlled, double‐blind, phase 3 trials investigating perampanel in patients with ongoing focal epileptic seizures despite receiving one to three antiepileptic drugs found that perampanel 4–12 mg was superior to placebo. The tolerability profile of perampanel was generally acceptable. Adolescent patients receiving long‐term treatment with perampanel in an open‐label extension study maintained improvements in seizure control compared with baseline, with a favorable risk‐benefit profile. A phase 2 study showed that perampanel had no clinically important effects on cognitive function, growth, and development.ConclusionPerampanel is a welcome addition to the armamentarium of existing antiepileptic drugs as it represents a new approach in the management of epilepsy, with a novel mechanism of action, and the potential to have a considerable impact on the treatment of adolescents with epilepsy.
Multiphase flow modelling in moderately rotating inclined porous media
Authors: Härting Hans‐Ulrich , Lange Rüdiger , Schubert Markus 
Published: June 2016

ABSTRACTAdvective and diffusive multiphase flows through vertical porous media are well examined and discussed in the scientific literature. However, uncommon configurations with inclined porous media are examined to a lesser extent, while advanced configurations with superimposed motion have hitherto scarcely been addressed. An example of such configuration is the inclined rotating tubular fixed bed reactor, which is a novel intensified multiphase reactor for heterogeneous catalytic gas‐liquid‐solid reactions (H.‐U. Härting, R. Lange, F. Larachi, M. Schubert, Chem. Eng. J. 2015, 281, 931).For the prediction of liquid saturation and two‐phase pressure drop in inclined and moderately rotating confined porous media, a two‐fluid model is presented. The model is one‐directional, isothermal, and considers incompressible Newtonian fluids. To account for the interphase momentum transfer, adopted Ergun‐type closures are formulated taking the peculiarities of stratified, dispersed, and annular flow into account. The effects of inclination and rotation are incorporated as additional body forces, whereby inclination is taken into account by the longitudinal gravity component and a semi‐empirical closure for the complex effects of the rotational velocity is presented. The applicability of the model is validated against experimental liquid saturation and two‐phase pressure drop data.
Ascertainment of postprostatectomy radiotherapy for prostate cancer in the Surveillance, Epidemiology, and End Results database
Authors: Wang Kyle , Sheets Nathan C. , Basak Ramsankar , Chen Ronald C. 
Published: June 2016

BACKGROUNDSurveillance, Epidemiology, and End Results (SEER) data are frequently used to examine receipt of adjuvant radiotherapy (RT), but to the authors' knowledge the accuracy of data regarding second‐course treatments is unknown.METHODSUsing SEER‐Medicare‐linked data, the authors identified a cohort of men who underwent radical prostatectomy for localized prostate cancer with indications for RT due to adverse pathologic risk factors. Receipt of RT was compared between the SEER database and Medicare claims, with the latter considered to be the “gold standard.” Multivariable logistic regression was used to assess factors associated with ascertainment of RT in SEER.RESULTSA total of 3842 men were analyzed, 749 of whom were found to have Medicare claims for RT within 1 year of undergoing prostatectomy. SEER ascertainment of postprostatectomy RT was 56% overall: 76% among patients who received RT within 2 months of prostatectomy, 73% among patients who received RT between 2 to 4 months after prostatectomy, 63% among patients who received RT between 4 to 6 months after prostatectomy, 44% among patients who received RT between 6 to 8 months after prostatectomy, and 21% among patients who received RT between 8 to 12 months after prostatectomy. On multivariable analysis, increasing time from prostatectomy to RT was found to be significantly associated with decreased SEER ascertainment (odds ratio, 0.70 per month; P<.001). There also was variation noted by SEER region and urban/rural locale.CONCLUSIONSSEER underascertains the receipt of postprostatectomy RT compared with Medicare claims, and the magnitude of the underascertainment increases with longer time between prostatectomy and RT. These findings have direct implications for the use of SEER data alone to assess patterns of care and guideline concordance for second‐course treatment. Cancer 2016;122:3069‐3074. © 2016 American Cancer Society.
Solar Water Oxidation by Multicomponent TaON Photoanodes Functionalized with Nickel Oxide
Authors: Gujral Satnam Singh , Simonov Alexandr N. , Fang Xi‐Ya , Higashi Masanobu , Abe Ryu , Spiccia Leone 
Published: June 2016

AbstractEfficient solar‐powered water oxidation over the TaON‐based anodes requires coupling this photoactive n‐type semiconductor to an electrooxidation catalyst to improve the otherwise unsatisfactory activity and stability. Herein, we examine how functionalization with electrodeposited nickel oxide, NiOx, affects the performance of screen‐printed TaON photoanodes post‐necked with titania (TiO2–TaON). The effects of the NiOx photo‐electrodeposition parameters on the microstructure and photocatalytic performance of the resulting anodes are explored. Enhancements in the transient water oxidation photocurrent densities by sixfold vs. unmodified TiO2–TaON were achieved with the use of the NiOx/TiO2–TaON photoanodes. Long‐term stability tests reveal a slow but persistent degradation of the performance of the multicomponent photocatalysts under the severely oxidizing conditions of water photo‐oxidation coincident with continuous morphological changes in the NiOx deposits.
Monocarboxylate Transporters: Therapeutic Targets and Prognostic Factors in Disease
Authors: Jones RS , Morris ME 
Published: June 2016

Solute carrier (SLC) transporters represent 52 families of membrane transport proteins that function in endogenous compound homeostasis and xenobiotic disposition, and have been exploited in drug delivery and therapeutic targeting strategies. In particular, the SLC16 family that encodes for the 14 isoforms of the monocarboxylate transporter (MCT) family plays a significant role in the absorption, tissue distribution, and clearance of both endogenous and exogenous compounds. MCTs are required for the transport of essential cell nutrients and for cellular metabolic and pH regulation. Recent publications have indicated their novel roles in disease, and thus their potential as biomarkers and new therapeutic targets in disease are under investigation. More research into MCT isoform function, specificity, expression, and regulation will allow researchers to exploit the potential utility of MCTs in the clinic as therapeutic targets and prognostic factors of disease.
Assessing the sensitivity of avian species abundance to land cover and climate
Authors: LeBrun Jaymi J. , Thogmartin Wayne E. , Thompson Frank R. , Dijak William D. , Millspaugh Joshua J. 
Published: June 2016

AbstractClimate projections for the Midwestern United States predict southerly climates to shift northward. These shifts in climate could alter distributions of species across North America through changes in climate (i.e., temperature and precipitation), or through climate‐induced changes on land cover. Our objective was to determine the relative impacts of land cover and climate on the abundance of five bird species in the Central United States that have habitat requirements ranging from grassland and shrubland to forest. We substituted space for time to examine potential impacts of a changing climate by assessing climate and land cover relationships over a broad latitudinal gradient. We found positive and negative relationships of climate and land cover factors with avian abundances. Habitat variables drove patterns of abundance in migratory and resident species, although climate was also influential in predicting abundance for some species occupying more open habitat (i.e., prairie warbler, blue‐winged warbler, and northern bobwhite). Abundance of northern bobwhite increased with winter temperature and was the species exhibiting the most significant effect of climate. Models for birds primarily occupying early successional habitats performed better with a combination of habitat and climate variables whereas models of species found in contiguous forest performed best with land cover alone. These varied species‐specific responses present unique challenges to land managers trying to balance species conservation over a variety of land covers. Management activities focused on increasing forest cover may play a role in mitigating effects of future climate by providing habitat refugia to species vulnerable to projected changes. Conservation efforts would be best served focusing on areas with high species abundances and an array of habitats. Future work managing forests for resilience and resistance to climate change could benefit species already susceptible to climate impacts.
Effects of a mining‐altered environment on individual fitness of amphibians and reptiles
Authors: Sasaki Kiyoshi , Lesbarrères David , Beaulieu Camille Tremblay , Watson Glen , Litzgus Jacqueline 
Published: June 2016

AbstractPollution can affect wildlife directly through toxicity and indirectly through changes in biotic and abiotic factors, however, how these mechanisms interact in affecting free‐ranging animals remains poorly understood. By examining effects on individual fitness proxies, we aimed to determine the mechanisms behind documented amphibian and reptile declines in barren landscapes where vegetation was nearly decimated due to atmospheric metal and sulfur deposition from smelting operations in Sudbury, Ontario, Canada. We examined individual characteristics of snakes (Thamnophis sirtalis, Storeria occipitomaculata) and frogs (Lithobates clamitans, L. pipiens, L. septentrionalis) in replicated barren and reference sites, including standard metabolic rates (in snakes), body condition (all species), female reproductive status (snakes), limb deformity (frogs), and fluctuating asymmetry (all species). Frogs in barren sites (except L. septentrionalis) were in poor body condition, and all but one case of limb deformities in frogs were found in barren sites. However, neither frogs nor snakes exhibited elevated frequency of fluctuating asymmetry in barren sites. Standard metabolic rates (SMR) were not elevated in either snake species, suggesting that metal toxicity does not present an energetic burden. Instead, female T. sirtalis from barren sites exhibited lower SMR and were in poor body condition, which is a predicted response to reduced food intake. By contrast, SMR and body condition of S. occipitomaculata were not different between barren and reference sites. While physiological responses differed between T. sirtalis and S. occipitomaculata, both species exhibited lower reproductive rates (proportion of pregnant females) in barren sites compared to reference sites. Thus, energy deficiency may explain reduced reproduction in T. sirtalis while reduced availability of suitable gestation microhabitat may be a limiting factor for S. occipitomaculata. Populations in smelting‐impacted habitats include individuals with potentially compromised fitness. The low values of our measured fitness proxies appear to have resulted from pollution‐induced changes in biotic and abiotic factors, in addition to (for frogs) or rather than (for snakes) from the direct toxicity. These results suggest that impact assessment based solely on toxicological data and species distributions can underestimate the full impacts of pollution, highlighting the need for integrated examination at multiple levels of biological organization.
A complex systems approach for multiobjective water quality regulation on managed wetland landscapes
Authors: Parrott Lael , Quinn Nigel 
Published: June 2016

AbstractManagement of wetland ecosystems that are tightly coupled with human systems typically requires balancing multiple objectives to ensure that a range of ecosystem services are provided for the benefit of society. We describe how adopting a complex systems approach may provide managers with the appropriate conceptual tools to achieve social and ecological objectives in a multifunctional wetland landscape. We illustrate the applicability of the approach using the Grasslands Ecological Area (GEA) in California as a case study. Human intervention has shaped and reshaped the GEA over the past century, affecting the ability of the landscape to provide ecosystem services. Ecological disaster in the 1980s precipitated transformative change in the management system toward an approach that adopts many of the recommended actions for complexity. Present‐day management, which balances multiple social and ecological objectives, has led to improved water quality, restoration of wetland habitats, and a general increase in system complexity at the landscape scale. New research and real‐time monitoring systems facilitate adaptive management and heterogeneous responses of wetland management entities. We argue that taking a complex systems approach to management in the GEA provides a common, and inclusive, conceptual model for all stakeholders and may lead to a more sustainable and ecologically resilient landscape over the long term.