bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ligand‐Assisted Gold‐Catalyzed Cross‐Coupling with Aryldiazonium Salts: Redox Gold Catalysis without an External Oxidant
Authors: Cai Rong , Lu Mei , Aguilera Ellen Y. , Xi Yumeng , Akhmedov Novruz G. , Petersen Jeffrey L. , Chen Hao , Shi Xiaodong 
Published: June 2015

AbstractGold‐catalyzed C(sp)–C(sp2) and C(sp2)–C(sp2) cross‐coupling reactions are accomplished with aryldiazonium salts as the coupling partner. With the assistance of bpy ligand, gold(I) species were oxidized to gold(III) by diazonium without any external oxidants. Monitoring the reaction with NMR and ESI‐MS provided strong evidence for the nitrogen extrusion followed by AuIII reductive elimination as the key step.
Simultaneous separation and sensitive detection of naringin and naringenin in nanoparticles by chromatographic method indicating stability and photodegradation kinetics
Authors: Cordenonsi Leticia Malgarim , Bromberger Nathany Genro , Raffin Renata Platcheck , Scherman Elfrides Eva 
Published: June 2015

AbstractA simple, sensitive, precise and linear method by liquid chromatography was established for simultaneous determination and quantification of naringin and naringenin in polymeric nanoparticles. The method results in excellent separation in <11 min and with a peak purity of both flavonoids. The analyses were performed using a C18 column (4.6 × 150 mm, 5 µm), at a 1 mL/min flow rate. The mobile phase consisted of a gradient of acetonitrile–water (pH 4.0; v/v) at a temperature of 25°C. The nanoparticles were prepared according to the method of interfacial deposition of a pre‐formed polymer. The method were validated in compliance with guidelines, and was found to be linear in the 1–40 µg/mL concentration range for both naringin and naringenin (r > 0.99). Repeatability was determined at three concentration levels, obtaining an RSD (%) <0.9%, and the accuracy of the method was >98%. The photodegradation kinetics was determined for naringin; the coefficient that best represents degradation was of first order and naringenin presented a zero‐order kinetics. To our knowledge, a rapid and sensitive method for naringin and naringenin in polymeric nanoparticles has not been published elsewhere and this method is applicable to simultaneous evaluation of flavonoids. Copyright © 2015 John Wiley & Sons, Ltd.
Determination of glucosamine and its derivatives released from photocrosslinked gelatin hydrogels using HPLC
Authors: Suo Hairui , Xu Kedi , Zhang Hengyi , Zheng Xiaoxiang 
Published: June 2015

AbstractA simple, accurate and validated reverse‐phase high‐performance liquid chromatography (HPLC)/UV method is developed for the determination of glucosamine hydrochloride (GlcN), N‐acetyl‐glucosamine (NAG) and N‐acryloyl‐glucosamine (AGA) released from photocrosslinked gelatin hydrogels. The HPLC separation was achieved on a Shimadzu InertSustain amino column (250 × 4.6 mm, 5 µm particle size) at room temperature using a mobile phase of acetonitrile–phosphate buffer (75:25, v/v, pH 6.0) at a flow rate of 1.0 mL/min and UV detection of 194 nm. The method was validated for specificity, linearity, limit of detection and quantification, accuracy, precision, extraction recovery and solution stability. The calibration curves were with excellent linearity, with correlation coefficients (R2) >0.999 for all three drugs. The intra‐ and inter‐day variation was <3.10% and the relative error was between −1.43 and 1.78%. The extraction recovery results ranged from 94.62 to 99.33%, demonstrating the absence of matrix effect. The sample and standard solutions were stable for more than 2 months. The method was successfully used for the analysis of released properties of drugs physically encapsulated and chemically crosslinked in the gelatin hydrogels. Copyright © 2015 John Wiley & Sons, Ltd.
Liposome‐Based in Vitro Evolution of Aminoacyl‐tRNA Synthetase for Enhanced Pyrrolysine Derivative Incorporation
Authors: Uyeda Atsuko , Watanabe Takayoshi , Kato Yasuhiko , Watanabe Hajime , Yomo Tetsuya , Hohsaka Takahiro , Matsuura Tomoaki 
Published: June 2015

AbstractMethanosarcina species pyrrolysyl‐tRNA synthetase (PylRS) attaches Pyl to its cognate amber suppressor tRNA. The introduction of two mutations (Y384F and Y306A) into PylRS was previously shown to generate a mutant, designated LysZ‐RS, that was able to attach N‐benzyloxycarbonyl‐L‐lysine (LysZ) to its cognate tRNA. Despite the potential of LysZ derivatives, further LysZ‐RS engineering has not been performed; consequently, we aimed to generate LysZ‐RS mutants with improved LysZ incorporation activity through in vitro directed evolution. Using a liposome‐based in vitro compartmentalization (IVC) approach, we screened a randomly mutagenized gene library of LysZ‐RS and obtained a mutant that showed increased LysZ incorporation activity both in vitro and in vivo. The ease and high flexibility of liposome‐based IVC should enable the evolution of not only LysZ‐RS that can attach various LysZ derivatives but also of other enzymes involved in protein translation.
A case of Manila type Mycobacterium tuberculosis infection in Japan
Authors: Usami Osamu , Nakajima Chie , Endo Shiro , Inomata Shinya , Kanamori Hajime , Hirakata Yoichi , Uchiyama Bine , Kaku Mitsuo , Suzuki Yasuhiko , Hattori Toshio 
Published: June 2015

Key Clinical MessageA 76‐year‐old Japanese woman contracted a Mycobacterium tuberculosis (TB, Manila type) infection in Japan, despite never having traveled. However, her son was treated for TB in the Philippines 3 years before he stayed at her house. Spoligotyping allows us to identify the TB genotype and identify the route of infection.
Pd‐Catalyzed Z‐Selective Semihydrogenation of Alkynes: Determining the Type of Active Species
Authors: Drost Ruben M. , Rosar Vera , Marta Silvia Dalla , Lutz Martin , Demitri Nicola , Milani Barbara , de Bruin Bas , Elsevier Cornelis J. 
Published: June 2015

AbstractA protocol was developed to distinguish between well‐defined molecular and nanoparticle‐based catalysts for the Pd‐catalyzed semihydrogenation reaction of alkynes to Z‐alkenes. The protocol applies quantitative partial poisoning and dynamic light scattering methods, which allow the institution of additional validation experiments. For the quantitative partial poisoning method, tetramethylthiourea (TMTU) was developed as an alternative for the standard poison ligand CS2, and was found to be superior in its applicability. The protocol and the TMTU poison ligand were validated using the well‐described [PdII(phenanthroline)]‐catalyzed copolymerization of styrene and CO, confirming that this system is clearly operating as a well‐defined molecular catalyst. The protocol was subsequently applied to three catalyst systems used for the semihydrogenation of alkynes. The first was proposed to be a molecular [Pd0(IMes)] catalyst that uses molecular hydrogen, but the data gathered for this system, following the new protocol, clearly showed that nanoparticles (NPs) are catalytically active. The second catalyst system studied was an N‐heterocyclic carbene (NHC) Pd system for transfer semihydrogenation using formic acid as the hydrogen source, which was proposed to operate through an in situ generated molecular [Pd0(IMes)] catalyst in earlier studies. The investigations showed that only a small fraction of the Pd added becomes active in the catalytic reaction and that NPs are formed. However, despite these findings, a clear distinction between catalytic activity of NPs versus a molecular catalyst could not be made. The third investigated system is based on a [PdII(IMes)(η3‐allyl)Cl] precatalyst with additive ligands. The combined data gathered for this system are multi‐interpretable, but suggest that a partially deactivated molecular catalyst dominates in this reaction.
ChemInform Abstract: Hydrochalcogenation of Symmetrical and Unsymmetrical Buta‐1,3‐diynes with Diaryl Dichalcogenides: Facile Entry to (Z)‐1‐(Organylchalcogeno)but‐1‐en‐3‐yne Derivatives.
Authors: Venkateswarlu Cheerladinne , Chandrasekaran Srinivasan 
Published: June 2015

AbstractThe hydrothiolation and selenation reactions allow the stereoselective and regioselective synthesis of a wide range of enynes and butadienes.
Human group3 innate lymphoid cells express DR3 and respond to TL1A with enhanced IL‐22 production and IL‐2‐dependent proliferation
Authors: Ahn Yong‐Oon , Weeres Matthew A. , Neulen Marie‐Luise , Choi Jahyang , Kang Seong‐Ho , Heo Dae Seog , Bergerson Rachel , Blazar Bruce R. , Miller Jeffrey S. , Verneris Michael R. 
Published: June 2015

Death receptor 3 (DR3, TNFRSF25) is expressed by activated lymphocytes and signaling by its ligand, TL1A, enhances cytokine expression and proliferation. Recent studies show that DR3 is also present on murine type 2 innate lymphoid cells (ILC2s). Here, we show that DR3 is expressed by IL‐22‐producing human group 3 innate lymphoid cells (ILC3s). Stimulation of ILC3s with exogenous TL1A alone had no impact on cytokine production or proliferation. Addition of TL1A to IL‐1β + IL‐23 significantly enhanced the amount IL‐22 produced by ILC3s as well as the percentage IL‐22‐ and IL‐8‐producing cells. Addition of TL1A to IL‐1β + IL‐23 also augmented ILC3 proliferation. Mechanistically, this occurred through the upregulation of CD25 and responsiveness to IL‐2 stimulation. The combination of TL1A, IL‐1β+ IL‐23, and IL‐2 expanded ILC3s while IL‐1β+ IL‐23 did not increase proliferation above controls. After 2 weeks of expansion, ILC3s maintained their phenotype, transcription factor expression, and function (IL‐22 production). These findings identify DR3 as a costimulatory molecule on ILC3s that could be exploited for ex vivo expansion and clinical use.
Low‐Energy‐Gap Organic Based Acceptor–­Donor–Acceptor π‐Conjugated Small Molecules for Bulk‐Heterojunction Organic Solar Cells
Authors: Castro Edison , Cabrera‐Espinoza Andrea , Deemer Eva , Echegoyen Luis 
Published: June 2015

AbstractWe describe the detailed syntheses and characterization of two new electron‐donor molecules based on an acceptor–donor–acceptor (A–D–A) structure with carbazole as the electron‐rich building block, benzothiadiazole (BT) as the electron‐acceptor building block and octylrhodanine as the end group. We also examined the effects of a thiophene group as a spacer between the BT and the carbazole units on the optoelectronic, morphological and photovoltaic properties. The presence of the thiophenes has pronounced effects on both the optical and electrical properties. ECTBT, which contains thiophenes units, showed a red‐shifted absorption and a lower HOMO level compared to ECBT, which has no thiophene spacers. Optimized photovoltaic device fabrication based on ECTBT and [6,6]‐phenyl‐C70‐butyric acid methyl ester (PC71BM) in a 1:1.5 ratio (w/w) exhibited the best power conversion efficiency (PCE), at 3.26 %.
A comparative study of the modeled effects of atrazine on aquatic plant communities in midwestern streams
Authors: Nair Shyam K. , Bartell Steven M. , Brain Richard A. 
Published: June 2015

Abstract

Potential effects of atrazine on the nontarget aquatic plants characteristic of lower-order streams in the Midwestern United States were previously assessed using the Comprehensive Aquatic System Model (CASMATZ). Another similar bioenergetics-based, mechanistic model, AQUATOX, was examined in the present study, with 3 objectives: 1) to develop an AQUATOX model simulation similar to the CASMATZ model reference simulation in describing temporal patterns of biomass production by modeled plant populations, 2) to examine the implications of the different approaches used by the models in deriving plant community-based levels of concern (LOCs) for atrazine, and 3) to determine the feasibility of implementing alternative ecological models to assess ecological impacts of atrazine on lower-order Midwestern streams. The results of the present comparative modeling study demonstrated that a similar reference simulation to that from the CASMATZ model could be developed using the AQUATOX model. It was also determined that development of LOCs and identification of streams with exposures in excess of the LOCs were feasible with the AQUATOX model. Compared with the CASMATZ model results, however, the AQUATOX model consistently produced higher estimates of LOCs and generated non-monotonic variations of atrazine effects with increasing exposures. The results of the present study suggest an opportunity for harmonizing the treatments of toxicity and toxicity parameter estimation in the CASMATZ and the AQUATOX models. Both models appear useful in characterizing the potential impacts of atrazine on nontarget aquatic plant populations in lower-order Midwestern streams. The present model comparison also suggests that, with appropriate parameterization, these process-based models can be used to assess the potential effects of other xenobiotics on stream ecosystems. Environ Toxicol Chem 2015;34:2590–2602. © 2015 SETAC
Genome-wide identification of chromium stress-responsive micro RNAs and their target genes in tobacco (Nicotiana tabacum) roots
Authors: Bukhari Syed Asad Hussain , Shang Shenghua , Zhang Mian , Zheng Weite , Zhang Guoping , Wang Ting-Zhang , Shamsi Imran Haider , Wu Feibo 
Published: June 2015

Abstract

Tobacco easily accumulates certain heavy metals in leaves and thus poses a potential threat to human health. To systematically dissect Cr-responsive microRNAs (miRNAs) and their targets at the global level, 4 small RNA libraries were constructed from the roots of Cr-treated (Cr) and Cr-free (control) for 2 contrasting tobacco genotypes,Yunyan2 (Cr-sensitive) and Guiyan1 (Cr-tolerant). Using high-throughput-sequencing-technology, the authors identified 53 conserved and 29 novel miRNA families. Comparative genomic analysis of 41 conserved Cr-responsive miRNA families revealed that 11 miRNA families showed up-regulation in Guiyan1 but unaltered in Yunyan2, and 17 miRNA families were up-regulated only in Yunyan2 under Cr stress. Only 1 family, miR6149, was down-regulated in Yunyan2 but remained unchanged in Guiyan1. Of the 29 novel miRNA families, 14 expressed differently in the 2 genotypes under Cr stress. Based on a high-throughput degradome sequencing homology search, potential targets were predicted for the 41 conserved and 14 novel Cr-responsive miRNA families. Clusters of Orthologous Groups functional category analysis revealed that some of these predicted target transcripts of miRNAs are responsive to biotic and abiotic stresses. Furthermore, the expression patterns of many Cr-responsive miRNAs were validated by stem-loop real-time transcription polymerase chain reaction. The results of the present study provide valuable information and a framework for understanding the function of miRNAs in Cr tolerance. Environ Toxicol Chem 2015;34:2573–2582. © 2015 SETAC
Selection bias correction for species sensitivity distribution modeling and hazardous concentration estimation
Authors: Fox David R. 
Published: June 2015

Abstract

The species sensitivity distribution (SSD) has been an important development in ecotoxicology, and despite numerous concerns having been raised over many years, it remains the preferred (and often mandated) technique for establishing “safe” concentrations of contaminants in receiving water bodies by jurisdictions around the world. Although universally recognized as a crucial prerequisite for the statistical validity of the procedure, the assumption of random selection of species for SSD modeling is invariably violated. It is shown in the present study that, under very minimal assumptions, nonrandom species selection can result in hazardous concentration estimation errors of a factor of 20 or more. Importantly, if the toxicity data are biased toward the more sensitive species, then the conventional practice of using the lower confidence interval limit for the estimated hazardous concentration may be compensating in the wrong direction. Environ Toxicol Chem 2015;34:2555–2563. © 2015 SETAC
Complex contaminant mixtures in multistressor Appalachian riverscapes
Authors: Merriam Eric R. , Petty J. Todd , Strager Michael P. , Maxwell Aaron E. , Ziemkiewicz Paul F. 
Published: June 2015

Abstract

Runoff from watersheds altered by mountaintop mining in the Appalachian region (USA) is known to pollute headwater streams, yet regional-scale assessments of water quality have focused on salinization and selenium. The authors conducted a comprehensive survey of inorganic contaminants found in 170 stream segments distributed across a spectrum of historic and contemporary human land use. Principal component analysis identified 3 important dimensions of variation in water chemistry that were significantly correlated with contemporary surface mining (principal component 1: elevated dominant ions, sulfate, alkalinity, and selenium), coal geology and legacy mines (principal component 2: elevated trace metals), and residential development (principal component 3: elevated sodium and chloride). The combination of these 3 dominant sources of pollutants produced a complex stream-to-stream patchwork of contaminant mixtures. Seventy-five percent of headwater streams (catchments &lt; 5 km2) had water chemistries that could be classified as either reference (49%), development only (18%), or mining only (8%). Only 21% of larger streams (catchments &gt; 5 km2) were classified as having reference chemistries, and chemistries indicative of combined mining and development contaminants accounted for 47% of larger streams (compared with 26% of headwater streams). Extreme degradation of larger streams can be attributed to accumulation of contaminants from multiple human land use activities that include contemporary mountaintop mining, underground mining, abandoned mines, and untreated domestic wastewater. Consequently, water quality improvements in this region will require a multicontaminant remediation approach. Environ Toxicol Chem 2015;34:2603–2610. © 2015 SETAC
Fault reactivation during CO2 sequestration: Effects of well orientation on seismicity and leakage
Authors: Rinaldi Antonio P. , Vilarrasa Victor , Rutqvist Jonny , Cappa Frédéric 
Published: June 2015

AbstractInjection or withdrawal of fluid at depth may trigger felt seismicity. Such human‐induced seismicity is a key environmental concern related to the exploitation of natural underground resources. Thus, understanding how to avoid triggering felt earthquakes plays a crucial role in the success of underground anthropogenic activities, such as CO2 geological storage. In this work, we conduct 3D simulations of injection‐triggered fault reactivation, in order to investigate the effects of well geometry on seismic rupture and CO2 leakage. We analyze two different cases of injection, through (1) a vertical and (2) a horizontal well. Simulation results for the vertical well show the fault pressurizing faster and more locally than for the horizontal well, resulting in a smaller seismic event. For the horizontal well, the pressure is distributed over a wider area along the fault, which requires a longer time to reactivate, but results in a larger event. Fault reactivation also produces changes in damage‐zone and fault‐core permeability, allowing the CO2 to leak from the injection zone through overlying caprock, toward shallower depths. Although the calculated fault permeability enhancement is similar for the two cases, results show a slightly higher leakage rate for the vertical well in the region close to the well itself, while the leakage resulting from injection through the horizontal well is more widely distributed.Published 2015. This article is a U.S. Government work and is in the public domain in the USA.
Adult attachment style is associated with cerebral μ‐opioid receptor availability in humans
Authors: Nummenmaa Lauri , Manninen Sandra , Tuominen Lauri , Hirvonen Jussi , Kalliokoski Kari K. , Nuutila Pirjo , Jääskeläinen Iiro P. , Hari Riitta , Dunbar Robin I.M. , Sams Mikko 
Published: June 2015

AbstractHuman attachment behavior mediates establishment and maintenance of social relationships. Adult attachment characteristically varies on anxiety and avoidance dimensions, reflecting the tendencies to worry about the partner breaking the social bond (anxiety) and feeling uncomfortable about depending on others (avoidance). In primates and other mammals, the endogenous μ‐opioid system is linked to long‐term social bonding, but evidence of its role in human adult attachment remains more limited. We used in vivo positron emission tomography to reveal how variability in μ‐opioid receptor (MOR) availability is associated with adult attachment in humans. We scanned 49 healthy subjects using a MOR‐specific ligand [11C]carfentanil and measured their attachment avoidance and anxiety with the Experiences in Close Relationships‐Revised scale. The avoidance dimension of attachment correlated negatively with MOR availability in the thalamus and anterior cingulate cortex, as well as the frontal cortex, amygdala, and insula. No associations were observed between MOR availability and the anxiety dimension of attachment. Our results suggest that the endogenous opioid system may underlie interindividual differences in avoidant attachment style in human adults, and that differences in MOR availability are associated with the individuals’ social relationships and psychosocial well‐being. Hum Brain Mapp 36:3621–3628, 2015. © 2015 Wiley Periodicals, Inc.
Estimating groundwater discharge to surface waters using heat as a tracer in low flux environments: the role of thermal conductivity
Authors: Duque Carlos , Müller Sascha , Sebok Eva , Haider Kinza , Engesgaard Peter 
Published: June 2015

AbstractAnalytical modelling of heat transport was used to address effects of uncertainty in thermal conductivity on groundwater–surface water exchange. In situ thermal conductivities and temperature profiles were measured in a coastal lagoon bed where groundwater is known to discharge. The field site could be divided into three sediment zones where significant spatial changes in thermal conductivity on metre to centimetre scale show that spatial variability connected to the sediment properties must be considered. The application of a literature‐based bulk thermal conductivity of 1.84 Wm−1 °C−1, instead of field data that ranged from 0.62 to 2.19 W m−1 °C−1, produced a mean overestimation of 2.33 cm d−1 that, considering the low fluxes of the study area, represents an 89% increase and up to a factor of 3 in the most extreme cases. Incorporating the uncertainty due to sediment heterogeneities leads to an irregular trend of the flux distribution from the shore towards the lagoon. The natural variability of the thermal conductivity associated with changes in the sediment composition resulted in a mean variation of ±0.66 cm d−1 in fluxes corresponding to a change of ±25.4%. The presence of organic matter in the sediments, a common situation in the near‐shore areas of surface water bodies, is responsible for the decrease of thermal conductivity. The results show that the natural variability of sediment thermal conductivity is a parameter to be considered for low flux environments, and it contributes to a better understanding of groundwater–surface water interactions in natural environments. Copyright © 2015 John Wiley & Sons, Ltd.
Variation in Total Energy Expenditure in Humans
Authors: Goran Michael I. 
Published: June 2015

AbstractThe purpose of this paper is to review current data regarding the factors contributing to variability in total energy expenditure (TEE) among humans. Variation arising from within and between individuals and between study groups will be considered. For within‐ subject variation, issues relating to experimental and theoretical measurement error will be considered in addition to inherent physiological variation. The literature reporting TEE in various study groups is reviewed, highlighting deficiencies in current comparison methods, and a framework by which TEE can be compared between studies and populations is suggested. For between‐subject variation, the effects of differences in body composition, obesity, age and gender upon variation in TEE are examined. Finally, data will be reviewed relating to changes in TEE in response to external manipulation (e.g., activity, overfeeding, stress).