bluuebunny/crossref_metadata_2025 huggingface dataset:
Assessing drought cycles in SPI time series using a Fourier analysis
Authors: Moreira E. E. , Martins D. S. , Pereira L. S.
Published: March 2015

Abstract. In this study, drought in Portugal was assessed using 74 time series of Standardized Precipitation Index (SPI) with a 12-month timescale and 66 years length. A clustering analysis on the SPI Principal Components loadings was performed in order to find regions where SPI drought characteristics are similar. A Fourier analysis was then applied to the SPI time series considering one SPI value per year relative to every month. The analysis focused on the December SPI time series grouped in each of the three identified clusters to investigate the existence of cycles that could be related to the return periods of droughts. The most frequent significant cycles in each of the three clusters were identified and analysed for December and the other months. Results for December show that drought periodicities vary among the three clusters, pointing to a 6-year cycle across the country and a 9.4-year cycle in central and southern Portugal. Both these cycles likely show the influence of the North Atlantic Oscillation (NAO) on the occurrence and severity of droughts in Portugal. Relative to other months it was observed that cycles varied according to the common occurrence of precipitation: for the rainy months – November, December and January – cycles are similar to those for December; for the dry months – May to September – where the lack of precipitation masks the occurrence of drought, the dominant cycles are of short duration and cannot be related to the NAO or other large circulation indices to explain drought variability; for the transition months – February, March, April and October – 6-year and 3-year cycles were identified, the latter being more strongly apparent in central and southern Portugal. NAO influence is again identified relative to the 6-year cycles. The short cycles are apparently associated with positive SPI, thus with wetness, not drought. Overall, results confirm the importance of the NAO as a driving force for dry and wet periods.
STUDY OF AMINO ACID MODIFIERS IN GUAYULE NATURAL RUBBER
Authors: McMahan Colleen , Lhamo Dhondup
Published: March 2015

Guayule, a desert shrub indigenous to the United States, is under development as a source of natural rubber that can be used in place of petroleum-based rubber or Hevea rubber. In natural rubbers, physical and chemical properties can be strongly affected by nonrubber constituents, typically proteins and lipids, present in the material, depending on the plant species and postharvest processing. Hevea natural rubber typically contains high levels of nonrubber constituents that contribute to thermal-oxidative stability, cure acceleration, and especially strain-induced crystallization. The latter has been attributed to compound properties that render Hevea natural rubber uniquely suited for the most demanding rubber applications (e.g., aircraft tires). Hevea proteins are susceptible to hydrolysis, releasing free amino acids into the latex, which can affect rubber and compound properties. Here, low-protein guayule latex was blended with a series of amino acids varying in chemical structure. Bulk viscosity was reduced, thermal-oxidative stability was improved, and cure rate was influenced by the addition of amino acids. Generally, gel formation, green strength, and tensile strength were not affected. The results introduce a new perspective for amino acids as biobased rubber compound additives and provide insights into naturally occurring nonrubber constituents' interaction with natural rubber polymers.
Aggregation And Spatial Coexistence of Earthworm Community in Grassy Savanna of Lamto (Côte d’Ivoire)
Authors: Tiho Seydou , Ehouman N'guetta Moise , Dagnogo Mamadou
Published: March 2015

Understanding of mechanisms by which species spatially coexist, come from the theoretical framework and has focussed on spatial competition. Earthworms were sampled in rainy season on a grid obtained from grassy savanna to explore spatial competition. We used geostatistical analysis to assess spatial dependence within community between different population patterns. Empirical results revealed among earthworm community two groups of species appeared of interest in term of association. The Eudrilidae species (Stuhlmannia porifera, Chuniodrilus zielae, and Chuniodrilus sp1) on the one part were negatively associated with Millsonia omodeoi (Megascolecidae) on the other part, whereas we observed significant positive association between C.zielae and S.porifera. This study indicates that the competitive interaction structures the community and this competition is detected through reduced density of one competitor when they spatially collocated.
Hip Dislocation following Minor Trauma in a Patient with Neurofibromatosis Type 1: A Case Report and Review of the Literature
Authors: Dearden Paul M. , Lowery Kathryn A. , Bates Joanna , Datir Sandeep P.
Published: March 2015

Neurofibromatosis type 1 (NF-1) is a common autosomal dominant disorder which is known to have associated skeletal manifestations. There are documented cases of hip dislocation in NF-1, although it is a rare occurrence. Previous cases have been associated with intra-articular neurofibromas, acetabular protrusio and femoral deformities such as coxa valga and in one case increased femoral offset.

The authors review the literature on pelvic manifestations and report a case of hip dislocation in a 19-year-old woman with neurofibromatosis-one following minor trauma believed to be secondary to markedly increased femoral offset.

This case illustrates the effect the NF-1 can have on the anatomy of the proximal femur and one of the complications that can present to the orthopaedic surgeon, without the presence on an intra-articular neurofibroma. In a review of the literature the authors found only two other cases of hip dislocation associated with NF-1 that occurred without the presence of an intra-articular neurofibroma.
Efficacy and Safety of Stereotactic Ablative Radiotherapy in Patients with Previous Pneumonectomy
Authors: Levra Niccolò Giaj , Filippi Andrea Riccardo , Guarneri Alessia , Badellino Serena , Mantovani Cristina , Ruffini Enrico , Ricardi Umberto
Published: March 2015

Background

Thoracic surgery for a newly diagnosed primary lung tumor following a previous pneumonectomy is rarely indicated. Stereotactic ablative radiotherapy (SABR) might represent a curative option. This report focuses on outcomes, toxicity and quality of life (QoL) after SABR.

Methods

Nine patients were treated with SABR between 2004 and 2011; median time since surgery was 8.4 years. In 4 cases, a histological confirmation was possible with bronchoscopy. In 5 cases, the clinical proof of malignancy was based on radiological criteria. Forced expiratory volume in 1 second (FEV1) and diffusing capacity of the lung for carbon monoxide (DLCO) were tested in all patients. A SABR biologically equivalent dose of >100 Gy was prescribed in all cases. QoL questionnaire forms were administered before SABR and during follow-up.

Results

Median follow-up was 41.8 months. We did not observe grade >3 acute toxicity, and concerning late toxicity, we registered 2 cases. QoL was decreased during the first 12 months of follow-up, followed by a progressive improvement after this time. One patient had a local relapse at 7.4 years; 1 developed a new nodule at 5.5 years, associated with metastases; and 1 developed a new nodule without any systemic disease at 3 years. There were 2 cancer-related deaths (18.2%) at 3 and 12 months after progression.

Conclusions

Data support efficacy and safety of SABR in patients with a new primary lung cancer following previous pneumonectomy, with acceptable acute, late toxicity profile and without significant impairment of QoL. Our results were comparable to those in the literature.
Contracteren in de cloud – ken uw risico’s
Authors: Daniëls K. , Kits P.
Published: March 2015

Contracteren in de cloud – ken uw risico’s

Cloud computing is het via het internet altijd, overal en op elk ‘device’ gebruik kunnen maken van applicaties en online diensten. Het begrip ‘cloud’ verwijst naar de computers waarop gebruikers werken die feitelijk ‘onzichtbaar’ zijn geworden. Er kleven risico’s aan deze diensten. Dit artikel beschrijft de belangrijkste juridische en contractuele risico’s en aandachtspunten.
Environmental control of deep convective clouds on Titan: The combined effect of CAPE and wind shear on storm dynamics, morphology, and lifetime
Authors: Rafkin Scot C. R. , Barth E. L.
Published: March 2015

Titan has deep convective clouds driven by the release of latent from methane condensation. As on Earth, the presence of convective available potential energy (CAPE), which quantifies the amount of energy available through condensation, is required for storms to develop. While CAPE is a requirement for storms, the dynamics, morphology, and longevity of storms on Earth is controlled by both CAPE and wind shear, often expressed as a ratio in the form of the bulk Richardson Number. The impact of CAPE and wind shear on storms in a Titan‐like environment are explored through numerical simulation. Model results indicate that Titan storms should respond to changes in the Richardson Number in a manner similar to storms on Earth. Very long‐lived storms (>24 h) propagating for 1000 km or more might be possible on Titan when CAPE and wind shear are properly balanced. Some of the simulated storms exhibit dynamics similar to squall lines. Varying amounts of shear in the Titan environment might explain the variety of convective cloud expressions—varying from short‐lived single cell storms to longer‐lived linear features and large cloud bursts—identified in Cassini orbiter and ground‐based observations. The varying amounts and spatial distribution of precipitation, as well as surface winds associated with storms, should have implications on the formation of fluvial and aeolian features and on the exchange of methane with the surface and lakes.
Estimating bankfull discharge and depth in ungauged estuaries
Authors: Gisen Jacqueline Isabella Anak , Savenije Hubert H.G.
Published: March 2015

It is difficult to measure river discharge accurately in an estuary, and particularly, in the region where the tidal flow dominates over the river discharge. River discharge is important for the morphology and hydrodynamics of estuaries as it influences the salt intrusion process, tidal dynamics, freshwater supply (water resources management), and the occurrence of floods. Here we try to derive river regime characteristics from the seaward end: the estuary. It is found that there are empirical relationships that link the geometry of an estuary to its river regime, which can be used to estimate river discharge characteristics with the least of data available. The aims of this study are: (1) to derive empirical relations between geometrical characteristics of estuaries and the bankfull discharge; (2) to explore a physical explanation for this relation; and (3) to estimate the bankfull discharge in estuaries. The physical connection between an estuary and its river regime is found by combining estuary shape analysis, tidal dynamic analysis, and Lacey's hydraulic geometry theory. The relationships found between the estuary depth, width, and bankfull river discharge have been tested in 23 estuaries around the world (including seven recently surveyed estuaries). From the analysis, it shows that the depth of an estuary is a function of the bankfull flood discharge to the power of 1/3, which is in agreement with Lacey's formula. This finding not only provides a method to estimate estuary depth, it also allows estimating flood discharge characteristics from readily available estuary shape indicators.
Rupture history of 2014 Mw 6.0 South Napa earthquake inferred from near‐fault strong motion data and its impact to the practice of ground strong motion prediction
Authors: Ji Chen , Archuleta Ralph J. , Twardzik Cedric
Published: March 2015

The spatiotemporal rupture history of the 2014 South Napa earthquake is constrained using near‐fault strong motion records. An aggressive source parameterization with 1372 subfaults is adopted to match the signals in the transverse components up to 4 Hz. The result reveals that the rupture of the Napa earthquake initiated at a depth of 9.84 km and propagated mainly to north‐northwest (NNW) and updip on a 13 km long fault patch. A gradual increase in average rise time when the rupture propagates to shallower depth is observed. However, it is the rupture of a small (Mw 4.9), isolated, and high stress drop fault patch that excited the largest ground acceleration at stations south of the epicenter. Such fine‐scale rupture heterogeneity shall be considered during seismic hazard analysis.
Role of Leisure in Humanizing Learning Cities
Authors: Hibbler Dan K. , Scott Leodis
Published: March 2015

This chapter considers leisure as a powerful agent for social change alongside the field of adult education in bringing to life the idea of learning cities.
Fabricated Elastin
Authors: Yeo Giselle C. , Aghaei‐Ghareh‐Bolagh Behnaz , Brackenreg Edwin P. , Hiob Matti A. , Lee Pearl , Weiss Anthony S.
Published: March 2015

The mechanical stability, elasticity, inherent bioactivity, and self‐assembly properties of elastin make it a highly attractive candidate for the fabrication of versatile biomaterials. The ability to engineer specific peptide sequences derived from elastin allows the precise control of these physicochemical and organizational characteristics, and further broadens the diversity of elastin‐based applications. Elastin and elastin‐like peptides can also be modified or blended with other natural or synthetic moieties, including peptides, proteins, polysaccharides, and polymers, to augment existing capabilities or confer additional architectural and biofunctional features to compositionally pure materials. Elastin and elastin‐based composites have been subjected to diverse fabrication processes, including heating, electrospinning, wet spinning, solvent casting, freeze‐drying, and cross‐linking, for the manufacture of particles, fibers, gels, tubes, sheets and films. The resulting materials can be tailored to possess specific strength, elasticity, morphology, topography, porosity, wettability, surface charge, and bioactivity. This extraordinary tunability of elastin‐based constructs enables their use in a range of biomedical and tissue engineering applications such as targeted drug delivery, cell encapsulation, vascular repair, nerve regeneration, wound healing, and dermal, cartilage, bone, and dental replacement.
A Chiral Bipyridyl Alcohol for Catalytic Enantioselective Nozaki–Hiyama–Kishi Allylation of Aldehydes and Ketones
Authors: Chen Rui‐Yu , Dhondge Attrimuni P. , Lee Gene‐Hsian , Chen Chinpiao
Published: March 2015

A class of bipyridyl alcohol ligands has been developed. A catalyst synthesized using a chromium(II)‐ligand promotes the enantioselective Nozaki–Hiyama–Kishi (NHK) allylation of aldehydes and ketones with allylic halides. The allylation of various aromatic, α,β‐unsaturated, and aliphatic aldehydes and ketones produces the desired homoallylic alcohols in satisfactory yields (up to 98%) and high enantioselectivities (up to 99% ee). The present method can be applied widely and affords an efficient means of obtaining chiral homoallylic alcohols.

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Copper‐Catalyzed Sulfenylation of Boronic Acids with Sulfonyl Hydrazides
Authors: Wang Ting‐Ting , Yang Fu‐Lai , Tian Shi‐Kai
Published: March 2015

An unprecedented sulfenylation reaction of carbon‐boron bonds has been developed using sulfonyl hydrazides as sulfenyl sources. A range of sulfonyl hydrazides underwent tetrakis(acetonitrile)copper(I) tetrafluoroborate [Cu(CH3CN)4BF4]/2,2′‐bipyridine‐catalyzed sulfenylation with boronic acids under air to give structurally diverse thioethers in moderate to good yields. Preliminary mechanistic studies show that sulfonyl hydrazides are subjected to decomposition into thiosulfonates and disulfides followed by formation of carbon‐sulfur bonds with boronic acids.

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Nickel‐Catalyzed Suzuki–Miyaura Coupling of a Tertiary Iodocyclopropane with Wide Boronic Acid Substrate Scope: Coupling Reaction Outcome Depends on Radical Species Stability
Authors: Yotsuji Keisuke , Hoshiya Naoyuki , Kobayashi Takaaki , Fukuda Hayato , Abe Hiroshi , Arisawa Mitsuhiro , Shuto Satoshi
Published: March 2015

We describe a nickel‐catalyzed Suzuki–Miyaura arylation of a tertiary iodocyclopropane with arylboronic acids; this is an efficient and convergent strategy for providing various enantioenriched arylcyclopropanes with a quaternary stereogenic center. This is the first metal‐catalyzed coupling between a tertiary alkyl electrophile and a wide range of aromatics, including heteroaromatics. We found that the outcome of the Ni‐catalyzed coupling with halides as electrophiles was dependent on the stability of the radical species formed during the reaction. The use of tert‐butyl alcohol (t‐BuOH) as the reaction solvent was very effective, because of its stability under the radical‐generating reaction conditions.

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Impact of Nanoscale Elemental Distribution in High‐Performance Kesterite Solar Cells
Authors: Sardashti Kasra , Haight Richard , Gokmen Tayfun , Wang Wei , Chang Liang‐Yi , Mitzi David B. , Kummel Andrew C.
Published: March 2015

The effort to develop earth‐abundant kesterite solar cells has led to an approximate doubling of the power conversion efficiency over the past five years to 12.6%, primarily due to increases in short‐circuit current and fill factor; open‐circuit voltage has resisted similar change, limiting further efficiency improvement. In the present investigation, Auger nanoprobe spectroscopy, X‐ray/ultraviolet photoelectron spectroscopy, and device characterization are used to provide a comprehensive understanding of the role of grain boundaries and interfaces in limiting performance in kesterite‐based devices. High photovoltaic performance is found to correlate with grain boundaries that are Cu‐depleted and enriched with SnOx. The formation of this bulk‐like oxide at grain boundaries with type I band offset provides a unique effective passivation that limits electron‐hole recombination. Building on these new insights, photovoltaic device simulations are performed that show optimized electrostatic designs can compensate for bulk defects, allowing efficiencies closer to the theoretical limit.
Does the year‐end decline in injury risk reflect reporting error?
Authors: Pierce Brooks
Published: March 2015

Background

Relatively little is known about seasonal patterns in occupational injury risk. Injury risk may vary seasonally due to weather‐related factors or changing work exposure. Employer confusion about recordkeeping rules and injury occurrence near year end may also lead to an undercount of year‐end injuries.

Methods

Case records from the Bureau of Labor Statistics' Survey of Occupational Injuries and Illnesses and Census of Fatal Occupational Injuries were used to determine seasonality for a variety of injury types.

Results

Reported injury rates were higher in summer and lower at year end. Difficult‐to‐identify injuries showed greater year‐end incidence declines.

Conclusions

End‐of‐year injury declines may have reflected reporting errors for some injury types. The summertime increase in injury risk was broad‐based and presumably reflected real seasonal factors. Am. J. Ind. Med. 58:519–527, 2015. © 2015 Wiley Periodicals, Inc.
Polygenic risk of Parkinson disease is correlated with disease age at onset
Authors: Escott‐Price Valentina ,   for the International Parkinson's Disease Genomics Consortium, Nalls Mike A. , Morris Huw R. , Lubbe Steven , Brice Alexis , Gasser Thomas , Heutink Peter , Wood Nicholas W. , Hardy John , Singleton Andrew B. , Williams Nigel M. ,   on behalf of the IPDGC consortium members
Published: March 2015

Objective

We have investigated the polygenic architecture of Parkinson disease (PD) and have also explored the potential relationship between an individual's polygenic risk score and their disease age at onset.

Methods

This study used genotypic data from 4,294 cases and 10,340 controls obtained from the meta‐analysis of PD genome‐wide association studies. Polygenic score analysis was performed as previously described by the International Schizophrenia Consortium, testing whether the polygenic score alleles identified in 1 association study were significantly enriched in the cases relative to the controls of 3 independent studies. Linear regression was used to investigate the relationship between an individual's polygenic score for PD risk alleles and disease age at onset.

Results

Our polygenic score analysis has identified significant evidence for a polygenic component enriched in the cases of each of 3 independent PD genome‐wide association cohorts (minimum p = 3.76 × 10−6). Further analysis identified compelling evidence that the average polygenic score in patients with an early disease age at onset was significantly higher than in those with a late age at onset (p = 0.00014).

Interpretation

This provides strong support for a large polygenic contribution to the overall heritable risk of PD and also suggests that early onset forms of the illness are not exclusively caused by highly penetrant Mendelian mutations, but can also be contributed to by an accumulation of common polygenic alleles with relatively low effect sizes. Ann Neurol 2015;77:582–591
Na4IrO4: Square‐Planar Coordination of a Transition Metal in d5 Configuration due to Weak On‐Site Coulomb Interactions
Authors: Kanungo Sudipta , Yan Binghai , Merz Patrick , Felser Claudia , Jansen Martin
Published: March 2015

Local environments and valence electron counts primarily determine the electronic states and physical properties of transition‐metal complexes. For example, square‐planar coordination geometries found in transition‐metal oxometalates such as cuprates are usually associated with the d8 or d9 electron configuration. In this work, we address an unusual square‐planar single oxoanionic [IrO4]4− species, as observed in Na4IrO4 in which IrIV has a d5 configuration, and characterize the chemical bonding through experiments and by ab initio calculations. We find that the IrIV center in ground‐state Na4IrO4 has square‐planar coordination geometry because of the weak Coulomb repulsion of the Ir‐5d electrons. In contrast, in its 3d counterpart Na4CoO4, the CoIV center is tetrahedrally coordinated because of strong electron correlation. Na4IrO4 may thus serve as a simple yet important example to study the ramifications of Hubbard‐type Coulomb interactions on local geometries.
True Boundary for the Formation of Homoleptic Transition‐Metal Hydride Complexes
Authors: Takagi Shigeyuki , Iijima Yuki , Sato Toyoto , Saitoh Hiroyuki , Ikeda Kazutaka , Otomo Toshiya , Miwa Kazutoshi , Ikeshoji Tamio , Aoki Katsutoshi , Orimo Shin‐ichi
Published: March 2015

Despite many exploratory studies over the past several decades, the presently known transition metals that form homoleptic transition‐metal hydride complexes are limited to the Groups 7–12. Here we present evidence for the formation of Mg3CrH8, containing the first Group 6 hydride complex [CrH7]5−. Our theoretical calculations reveal that pentagonal‐bipyramidal H coordination allows the formation of σ‐bonds between H and Cr. The results are strongly supported by neutron diffraction and IR spectroscopic measurements. Given that the Group 3–5 elements favor ionic/metallic bonding with H, along with the current results, the true boundary for the formation of homoleptic transition‐metal hydride complexes should be between Group 5 and 6. As the H coordination number generally tends to increase with decreasing atomic number of transition metals, the revised boundary suggests high potential for further discovery of hydrogen‐rich materials that are of both technological and fundamental interest.
Hybrid Supramolecular and Colloidal Hydrogels that Bridge Multiple Length Scales
Authors: Janeček Emma‐Rose , McKee Jason R. , Tan Cindy S. Y. , Nykänen Antti , Kettunen Marjo , Laine Janne , Ikkala Olli , Scherman Oren A.
Published: March 2015

Hybrid nanocomposites were constructed based on colloidal nanofibrillar hydrogels with interpenetrating supramolecular hydrogels, displaying enhanced rheological yield strain and a synergistic improvement in storage modulus. The supramolecular hydrogel consists of naphthyl‐functionalized hydroxyethyl cellulose and a cationic polystyrene derivative decorated with methylviologen moieties, physically cross‐linked with cucurbit[8]uril macrocyclic hosts. Fast exchange kinetics within the supramolecular system are enabled by reversible cross‐linking through the binding of the naphthyl and viologen guests. The colloidal hydrogel consists of nanofibrillated cellulose that combines a mechanically strong nanofiber skeleton with a lateral fibrillar diameter of a few nanometers. The two networks interact through hydroxyethyl cellulose adsorption to the nanofibrillated cellulose surfaces. This work shows methods to bridge the length scales of molecular and colloidal hybrid hydrogels, resulting in synergy between reinforcement and dynamics.
Thermal properties and degradation behavior of poly(1,4‐butylene adipate)/modified layered double hydroxide nanocomposites
Authors: Chu Mei‐Chen , Hang Yi‐Tong , Chen Yi‐An , Wu Tzong‐Ming
Published: March 2015

In this study, poly(1,4‐butylene adipate) (PBA)/organomodified layered double hydroxide (m‐LDH) nanocomposites were synthesized and characterized as a new material for green materials use. m‐LDH was initially prepared with magnesium nitrate hexahydrate, aluminum nitrate‐9‐hydrate, oleic acid, and sorbitol by a novel one‐step coprecipitation method to intercalate the oleic acid and sorbitol organomodifier into the interlayer of the layered double hydroxide. The solution mixing process was then applied and shown to be an efficient method for fabricating the PBA/m‐LDH nanocomposites. The m‐LDH characterized by X‐ray diffraction (XRD) showed a high interlayer spacing of 58.8 Å. The morphology and thermal properties of the PBA/m‐LDH nanocomposites were characterized with XRD, transmission electron microscopy, and thermogravimetric analysis. It was shown that the m‐LDH was well distributed in the PBA matrix and that the thermal properties of the PBA/m‐LDH nanocomposites significantly improved with a loading of 0.1 wt % m‐LDH. Finally, the biodegradability of the PBA/m‐LDH nanocomposites was tested with lipase from Pseudomonas fluorescens as a microbial catalyst. It was shown that an addition of m‐LDH up to 0.5% resulted in a significant difference in terms of the biodegradability. After 120 h of degradation, the residual weight and surface morphology of the composite films were affected by the presence of m‐LDH. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015, 132, 42083.
Antimicrobial and Antiquorum‐Sensing Studies. Part 3: Synthesis and Biological Evaluation of New Series of [1,3,4]Thiadiazoles and Fused [1,3,4]Thiadiazoles
Authors: El‐Gohary Nadia S. , Shaaban Mona I.
Published: March 2015

New series of [1,3,4]thiadiazoles and fused [1,3,4]thiadiazoles were synthesized. The newly synthesized compounds were screened for their antibacterial activity against Staphylococcus aureus, Bacillus cereus, and Escherichia coli. Compounds 3b and 10a displayed the highest activity against E. coli with MIC value of 78.125 μg/mL. In addition, compound 10a exhibited the highest activity against B. cereus with MIC value of 156.25 μg/mL. The antifungal activity of these compounds was also tested against Candida albicans and Aspergillus flavus 3375. Compounds 3b, 5a, 10a, and 12b showed the best activity against A. flavus 3375 with MIC value of 19.531 μg/mL. The same compounds were examined for their antiquorum‐sensing activity against Chromobacterium violaceum ATCC 12472, whereas compounds 3b, 5a, and 12b exhibited moderate activity. In vitro cytotoxicity testing of compounds 3b,c, 5a, 6a, 10a, and 12a,b against human normal lung fibroblast (W138) cell line was performed. The in vivo acute toxicity of the same compounds was also tested and the obtained results indicated that compound 10a is the least toxic analog. The same compounds were studied for their DNA‐binding affinity and the obtained results showed that compounds 3b, 10a, and 12a,b have moderate DNA‐binding affinity.
New Arylpiperazinylalkyl Derivatives of 8‐Alkoxy‐purine‐2,6‐dione and Dihydro[1,3]oxazolo[2,3‐f]purinedione Targeting the Serotonin 5‐HT1A/5‐HT2A/5‐HT7 and Dopamine D2 Receptors
Authors: Chłoń‐Rzepa Grażyna , Zagórska Agnieszka , Bucki Adam , Kołaczkowski Marcin , Pawłowski Maciej , Satała Grzegorz , Bojarski Andrzej J. , Partyka Anna , Wesołowska Anna , Pękala Elżbieta , Słoczyńska Karolina
Published: March 2015

To obtain potential antidepressants and/or antipsychotics, a series of new long‐chain arylpiperazine derivatives of 8‐alkoxy‐purine‐2,6‐dione (10–24) and dihydro[1,3]oxazolo[2,3‐f]purinedione (30–34) were synthesized and their serotonin (5‐HT1A, 5‐HT2A, 5‐HT6, 5‐HT7) and dopamine (D2) receptor affinities were determined. The study allowed the identification of some potent 5‐HT1A/5‐HT7/D2 ligands with moderate affinity for 5‐HT2A sites. The binding mode of representative compounds from both chemical classes (11 and 31) in the site of 5‐HT1A receptor was analyzed in computational studies. In functional in vitro studies, the selected compounds 15 and 16 showed antagonistic properties for the evaluated receptors. 8‐Methoxy‐7‐{4‐[4‐(2‐methoxyphenyl)‐piperazin‐1‐yl]‐butyl}‐1,3‐dimethyl‐purine‐2,6‐dione (15) showed a lack of activity in terms and under the conditions of the forced swim, four plate and amphetamine‐induced hyperactivity tests in mice, probably as a result of its high first pass effect in the liver.
Characteristics of Fibromyalgia Independently Predict Poorer Long‐Term Analgesic Outcomes Following Total Knee and Hip Arthroplasty
Authors: Brummett Chad M. , Urquhart Andrew G. , Hassett Afton L. , Tsodikov Alex , Hallstrom Brian R. , Wood Nathan I. , Williams David A. , Clauw Daniel J.
Published: March 2015

Objective

While psychosocial factors have been associated with poorer outcomes after knee and hip arthroplasty, we hypothesized that augmented pain perception, as occurs in conditions such as fibromyalgia, may account for decreased responsiveness to primary knee and hip arthroplasty.

Methods

A prospective, observational cohort study was conducted. Preoperative phenotyping was conducted using validated questionnaires to assess pain, function, depression, anxiety, and catastrophizing. Participants also completed the 2011 fibromyalgia survey questionnaire, which addresses the widespread body pain and comorbid symptoms associated with characteristics of fibromyalgia.

Results

Of the 665 participants, 464 were retained 6 months after surgery. Since individuals who met criteria for being classified as having fibromyalgia were expected to respond less favorably, all primary analyses excluded these individuals (6% of the cohort). In the multivariate linear regression model predicting change in knee/hip pain (primary outcome), a higher fibromyalgia survey score was independently predictive of less improvement in pain (estimate −0.25, SE 0.044; P < 0.00001). Lower baseline joint pain scores and knee (versus hip) arthroplasty were also predictive of less improvement (R2 = 0.58). The same covariates were predictive in the multivariate logistic regression model for change in knee/hip pain, with a 17.8% increase in the odds of failure to meet the threshold of 50% improvement for every 1‐point increase in fibromyalgia survey score (P = 0.00032). The fibromyalgia survey score was also independently predictive of change in overall pain and patient global impression of change.

Conclusion

Our findings indicate that the fibromyalgia survey score is a robust predictor of poorer arthroplasty outcomes, even among individuals whose score falls well below the threshold for the categorical diagnosis of fibromyalgia.
Association of Severe Disc Degeneration With All‐Cause Mortality and Abdominal Aortic Calcification Assessed Prospectively in Older Men: Findings of a Single‐Center Prospective Study of Osteoporosis in Men
Authors: Estublier Charline , Chapurlat Roland , Szulc Pawel
Published: March 2015

Objective

To assess the association of disc degeneration with all‐cause mortality and with the severity and rate of progression of abdominal aortic calcification (AAC) in older men.

Methods

Men >50 years of age (n = 766) underwent lateral spine radiography and blood collection and were monitored prospectively. We assessed the association of disc degeneration with all‐cause mortality (at 10 years), AAC severity (at baseline), and AAC progression (at 7.5 years).

Results

After adjustment for confounders, including AAC, the total overall grade score for AAC predicted all‐cause mortality (hazard ratio [HR] 1.20 per SD increase [95% confidence interval (95% CI) 1.01–1.43]). The highest tertile of the total overall grade score was associated with higher mortality rates (39.3/1,000 person‐years for a score of >8 versus 20.9/1,000 person‐years for a score of 0–8; adjusted HR 1.47 [95% CI 1.05–2.06]). The odds of severe AAC (score of >5) increased with the total disc space narrowing score (adjusted HR 1.44 per SD [95% CI 1.11–1.87]). The highest tertile of the total disc space narrowing score was associated with higher odds of severe AAC (adjusted HR 2.42 versus the lowest tertile [95% CI 1.24–4.73]). The probability of long‐term AAC stability decreased with an increasing total osteophyte score (adjusted HR 0.66 per SD [95% CI 0.49–0.88]). The highest tertile of the total osteophyte score was associated with a lower probability of AAC stability (adjusted HR 0.35 versus the lowest tertile [95% CI 0.18–0.71]).

Conclusion

Older men with severe disc dege‐neration have greater AAC severity, faster AAC progression, and higher all‐cause mortality rates.
Customer Environmental Values and Their Contribution to Loyalty in Industrial Markets
Authors: Mustonen Nora , Karjaluoto Heikki , Jayawardhena Chanaka
Published: March 2015

Concern over the effect of industries on the natural environment is growing on a multitude of levels. This study examines the effects of how perceptions of (a) environmental values, (b) green image and (c) perceived value of industrial customers influence their loyalty towards suppliers in existing relationships, and how the length of B2B relationships may moderate these linkages. A conceptual framework is developed and data are collected from a global sample (N =121) of B2B customers. We find that both green image and perceived value have a direct positive link with customer loyalty and that environmental values are positively linked to the green image of the supplier. Moreover, the effect of green image on loyalty is mediated by perceived value, with environmental values only indirectly linked with perceived value of the supplier. As the length of relationship increases, on one hand the positive relationship between green image and customer loyalty is strengthened, while on the other the positive relationship between environmental value and green image is weakened. Regardless of how environmentally aware the customer is, green image is a strong predictor of both perceived value and loyalty. Copyright © 2015 John Wiley & Sons, Ltd and ERP Environment
Drimane Sesquiterpenoids from the Aspergillus oryzae QXPC‐4
Authors: Ren Ren , Chen Chao‐Jun , Hu Sha‐Sha , Ge Hui‐Ming , Zhu Wen‐Yong , Tan Ren‐Xiang , Jiao Rui‐Hua
Published: March 2015

Three new drimane sesquiterpenoids, astellolides C–E (1–3, resp.), four new drimane sesquiterpenoid p‐hydroxybenzoates, astellolides F–I (4–7, resp.), together with two known compounds astellolides A and B (8 and 9, resp.), have been isolated from the liquid culture of Aspergillus oryzae (strain No. QXPC‐4). Their structures were established by comprehensive analysis of spectroscopic data. The relative and absolute configurations were determined on the basis of NOESY and CD data, together with single‐crystal X‐ray diffraction analyses of compounds 1–3. The metabolites were evaluated for their cytotoxic activities, however, no compounds showed a significant cytotoxicity against the tested cell lines at a concentration of 20 μM.
Biochemical Characterization of Helichrysum italicum (Roth) G.Don subsp. italicum (Asteraceae) from Montenegro: Phytochemical Screening, Chemotaxonomy, and Antioxidant Properties
Authors: Kladar Nebojša V. , Anačkov Goran T. , Rat Milica M. , Srđenović Branislava U. , Grujić Nevena N. , Šefer Emilia I. , Božin Biljana N.
Published: March 2015

The chemical composition and antioxidant properties of the essential oil and EtOH extract of immortelle (Helichrysum italicum (Roth) G.Don subsp. italicum, Asteraceae) collected in Montenegro were evaluated. The essential oil was characterized by GC/MS analysis, and the content of total phenolics and flavonoids in the EtOH extract was determined using the FolinCiocalteu reagent. The free‐radical‐scavenging capacity (RSC) of both the essential oil and the EtOH extract was assessed with the 2,2‐diphenyl‐1‐pycrylhydrazyl (DPPH) method. Moreover, the inhibition of hydroxyl radical (.OH) generation by the EtOH extract of immortelle was evaluated for the first time here. Neryl acetate (28.2%) and γ‐curcumene (18.8%) were the main compounds in the essential oil, followed by neryl propionate (9.1%) and ar‐curcumene (8.3%). The chemical composition of the oils of the examined and additional 16 selected Helichrysum italicum taxa described in literature were compared using principal component (PCA) and cluster (CA) analyses. The results of the statistical analyses implied the occurrence of at least four different main and three subchemotypes of essential oils. Considering the antioxidant properties, the EtOH extract of immortelle exhibited similar potential as propyl gallate and quercetin, while the essential oil exhibited relatively weak DPPH.‐scavenging capacity.
Presynaptic architecture of the larval zebrafish neuromuscular junction
Authors: Helmprobst Frederik , Frank Miriam , Stigloher Christian
Published: March 2015

This article shows the ultrastructural architecture of larval zebrafish (Danio rerio) neuromuscular junctions in three dimensions. We compare classical electron microscopy fixation techniques with high‐pressure freezing followed by freeze substitution (HPF/FS) in combination with electron tomography. Furthermore, we compare the structure of neuromuscular junctions in 4‐ and 8‐dpf zebrafish larvae with HPF/FS because this allows for close‐to‐native ultrastructural preservation. We discovered that synaptic vesicles of 4‐dpf zebrafish larvae are larger than those of 8‐dpf larvae. Furthermore, we describe two types of dense‐core vesicles and quantify a filamentous network of small filaments interconnecting synaptic vesicles as well as tethers connecting synaptic vesicles to the presynaptic cell membrane. In the center of active zones, we found elaborate electron‐dense projections physically connecting vesicles of the synaptic vesicle pool to the presynaptic membrane. Overall this study establishes the basis for systematic comparisons of synaptic architecture at high resolution in three dimensions of an intact vertebrate in a close‐to‐native state. Furthermore, we provide quantitative information that builds the basis for diverse systems biology approaches in neuroscience, from comparative anatomy to cellular simulations. J. Comp. Neurol. 523:1984–1997, 2015 © 2015 Wiley Periodicals, Inc.
Tracing vocal fold vibrations using level set segmentation method
Authors: Shi Tailong , Kim Hyun June , Murry Thomas , Woo Peak , Yan Yuling
Published: March 2015

High‐speed digital imaging (HSDI) of the larynx can provide important information on the vocal fold kinematics. This information is useful and may provide a better understanding of the mechanism of phonation and assist clinical assessment of voice disorders. Automatic tracing of the vocal fold vibration is a key step in the kinematic analysis and for correlative characterization of vocal fold vibrations and voice quality in normal and diseased states. In this study, we introduce a new approach for image segmentation and automatic tracing of vocal fold motion that combines the level set method and motion cue. This approach is applied to videokymogram (VKG)‐form images, which are obtained from a sequence of laryngeal images captured using the HSDI. To utilize the motion cue for a more effective level set based segmentation on the VKG, we first construct a so‐called standard deviation (STD) image by mapping the pixel‐based measure of temporal intensity dispersion from the initial HSDI sequence. The STD image maps the extent of vocal fold motion, and followed by threshold operation, a region of interest (ROI) that encloses vocal fold motion, or glottal region, is identified. The performance and effectiveness of our approach are evaluated by using clinical datasets representing both normal and pathological voice conditions. Copyright © 2015 John Wiley & Sons, Ltd.
The absolute bioavailability investigation of LS177 in rats using ultra‐performance liquid chromatography‐tandem mass spectrometry
Authors: Zhang Lunhui , Ju Ping , Zhou Feifei , Zhang Yuanyuan , Zhao Simin , Jiang Yu , Bi Kaishun , Chen Xiaohui
Published: March 2015

LS177 is a novel inhibitor of mesenchymal epithelial transition (MET) that was used as an anticancer agent. The present study was to evaluate the absolute bioavailability of LS177 in rats. A rapid and sensitive ultra‐high performance liquid chromatography‐mass spectrometry (UHPLC‐MS/MS) method has been developed and validated for the determination of LS177 in rat plasma. LS177 and internal standard (IS, LS410) were extracted from rat plasma samples by protein precipitation (PPT) for intravenous group and liquid‐liquid extraction (LLE) procedure for oral group, then separated on a Phenomenex Kinetex XB‐C18 (2.1 mm I.D. × 50 mm, 2.6 µm) using a mobile phase consisting of 0.1% formic acid in acetonitrile‐0.1% formic acid water with a gradient elution program. The standard curves were linear over the ranges of 5.0–2000.0 ng · mL‐1 for PPT and 1.0–200.0 ng · mL‐1 for LLE. The mean recovery of LS177 was greater than 83.4% for PPT and not less than 88.5% for LLE, respectively. The intra‐ and inter‐day accuracy and precision were within the acceptable limits of less than 15.0% at all concentrations. The validated method was successfully applied to the bioavailability study in rat plasma of LS177 and its absolute bioavailability was 25.37%. Copyright © 2015 John Wiley & Sons, Ltd.
Development of Ionic Liquids Tethered to Coconut Shell Activated Carbon for Biogas Upgrading in a Packed Bed
Authors: Wang Lei , Zhang Junning , Tan Ziting , Jiang Hong , Xiong Chunrong
Published: March 2015

Ionic liquids (ILs) were prepared in situ successfully on coconut shell activated carbon (AC) granules for biogas upgrading in a packed bed. In biogas upgrading, the saturated CO2 capture capacities of AC‐tethered 1‐butyl‐3‐propylimidazolium bis(trifluoromethylsulfonyl)imide (AC‐[BPIM][Tf2N]) and AC‐tethered 1‐aminoethyl‐3‐propylimidazolium bis(trifluoromethylsulfonyl)imide (AC‐[EPIM‐NH2][Tf2N]) were 2.58 and 2.95 mmol g−1 at 20 °C and 0.5 MPa, respectively. The heat of adsorption was 23–28 kJ mol−1 for AC‐[BPIM]‐based adsorbents and 65–71 kJ mol−1 for AC‐[EPIM‐NH2]‐based ones. As a CO2 concentration of less than 3 % is required for biogas to be used in a vehicle, an adsorption capacity at which 3 % of CO2 is reached in the upgraded gas could be more important. If the flow rate of the inlet gas was 50 mL min−1, the adsorption capacity at which 3 % of CO2 is reached in the upgraded gas was 1.44 mmol g−1 for AC‐[BPIM][Tf2N] and 1.95 mmol g−1 for AC‐[EPIM‐NH2][Tf2N] at 20 °C and 0.2 MPa. The adsorption selectivities of CO2 over CH4 were ∼92 and 95 % for AC‐[BPIM][Tf2N] and AC‐[EPIM‐NH2][Tf2N], respectively. The immobilized ILs exhibited a relatively stable cyclability in a packed bed.
Hydrogen Transfer of Petroleum Residue Subfractions During Thermal Processing under Hydrogen
Authors: Wang Zongxian , Ji Shunfeng , Liu He , Chen Kun , Guo Aijun
Published: March 2015

Anthracene (ANT) was applied as the accepting probe to evaluate the hydrogen transfer ability of a Venezuela petroleum residue and its subfractions (i.e., saturates, aromatics, resins, and asphaltenes) under different atmospheres and reaction conditions. The hydrogen donating ability (HDA) of H2, HDA of the fractions, and synergism between fractions and H2 were analyzed. The results show that the temperature, initial hydrogen pressure, and time have a positive effect on the HDA of hydrogen. The HDA of all of the subfractions increases clearly with increasing temperature, both under nitrogen and hydrogen, before an equilibrium is achieved, and the HDA determined under hydrogen is higher than that measured under nitrogen. The saturates (Sa) and aromatics (Ar) showed a positive synergism with hydrogen, whereas the resins (Re) and asphaltenes (Asp) showed a negative one according to the calculated synergism. The summation HDA determined under nitrogen was significantly lower than the original HDA of the Venezuela petroleum residue, whereas the trend for hydrogen was the opposite.
Accurate real‐time hybrid earthquake simulations on large‐scale MDOF steel structure with nonlinear viscous dampers
Authors: Dong Baiping , Sause Richard , Ricles James M.
Published: March 2015

This paper presents real‐time hybrid earthquake simulation (RTHS) on a large‐scale steel structure with nonlinear viscous dampers. The test structure includes a three‐story, single‐bay moment‐resisting frame (MRF), a three‐story, single‐bay frame with a nonlinear viscous damper and associated bracing in each story (called damped braced frame (DBF)), and gravity load system with associated seismic mass and gravity loads. To achieve the accurate RTHS results presented in this paper, several factors were considered comprehensively: (1) different arrangements of substructures for the RTHS; (2) dynamic characteristics of the test setup; (3) accurate integration of the equations of motion; (4) continuous movement of the servo‐controlled hydraulic actuators; (5) appropriate feedback signals to control the RTHS; and (6) adaptive compensation for potential control errors. Unlike most previous RTHS studies, where the actuator stroke was used as the feedback to control the RTHS, the present study uses the measured displacements of the experimental substructure as the feedback for the RTHS, to enable accurate displacements to be imposed on the experimental substructure. This improvement in approach was needed because of compliance and other dynamic characteristics of the test setup, which will be present in most large‐scale RTHS. RTHS with ground motions at the design basis earthquake and maximum considered earthquake levels were successfully performed, resulting in significant nonlinear response of the test structure, which makes accurate RTHS more challenging. Two phases of RTHS were conducted: in the first phase, the DBF is the experimental substructure, and in the second phase, the DBF together with the MRF is the experimental substructure. The results from the two phases of RTHS are presented and compared with numerical simulation results. An evaluation of the results shows that the RTHS approach used in this study provides a realistic and accurate simulation of the seismic response of a large‐scale structure with rate‐dependent energy dissipating devices. Copyright © 2015 John Wiley & Sons, Ltd.