bluuebunny/crossref_metadata_2025 huggingface dataset:
Implementation of the basic hazard index screening for health risks associated with simultaneous exposure to multiple chemicals using a standardized target organ and systems framework
Authors: Adams Valerie H , McAtee Matthew J , Johnson Mark S
Published: January 2017

Environmental health risk assessments often involve assessing the potential health effects of exposure to multiple chemicals at once (i.e., complex mixtures). Because the possible number of chemical combinations is very large, few controlled in vivo toxicological studies with chemical mixtures are relevant or practical. In lieu of specific mixture toxicity data, the segregated hazard index (HI) approach has been used to determine whether simultaneous exposures may warrant further investigation due to their combined adverse effects. Each chemical is assigned to one or more target organs based on critical effects; HIs for each target organ are generated by summing the individual hazard quotients for each of the chemicals assigned to that organ or organ system. To conduct this phased risk assessment approach in a consistent manner, a comprehensive, systematized list of toxicity targets for implementing this approach is needed. We present a comprehensive and standardized list of toxicity target organs and systems (TTOS), with example data sets, for consistent implementation of the segregated HI method. This method is designed to facilitate the standardization of the widespread use of the basic segregated HI approach. The basic hazard index mixtures screening (BHIMS) tool allows for rapid identification of exposure concerns that may warrant further and more sophisticated assessment. Integr Environ Assess Manag 2017;13:852–860. Published 2017. This article is a US Government work and is in the public domain in the USA.

Key Points

A comprehensive and standardized toxicity target organs and systems (TTOS) list is defined for assessing multiple chemical exposures risk. A phased approach to health risk assessment using the TTOS list is described. A basic hazard index mixtures screening (BHMIS) tool is presented.
Weight and weight changes in early adulthood and later breast cancer risk
Authors: Rosner Bernard , Eliassen A. Heather , Toriola Adetunji T. , Chen Wendy Y. , Hankinson Susan E. , Willett Walter C. , Berkey Catherine S. , Colditz Graham A.
Published: January 2017

Obesity is a well‐established cause of postmenopausal breast cancer. However, early life adiposity is inversely associated with breast cancer incidence. To understand these conflicting relations, we use validated measures to assess adiposity in childhood and late adolescence, as well as weight change, in relation to total invasive breast cancer incidence and receptor subtypes. We conducted a prospective observational study among 74,177 women from the Nurses’ Health Study from 1980–2012, with updated risk factors every 2 years during which 4,965 incident invasive breast cancers occurred. Overall, weight at age 18 was inversely associated with both premenopausal (HR per 30 kg = 0.52, 95% CI = 0.39–0.71) and postmenopausal (HR per 30 kg = 0.81, 95% CI = 0.72–0.92) breast cancer which was largely explained by adiposity at age 10. Long‐term weight gain from age 18 both during premenopause and postmenopause were positively associated with postmenopausal breast cancer risk. However, premenopausal weight gain was not related to premenopausal breast cancer risk. Furthermore, weight gain since age 18 was positively associated with ER+/PR+ postmenopausal breast cancer (HR per 30 kg = 1.50, 95% CI = 1.36–1.65) but not ER+/PR− (HR per 30 kg = 0.96, 95% CI = 0.78–1.19) or ER−/PR− (HR per 30 kg = 1.16, 95% CI = 0.95–1.42) postmenopausal breast cancer. Overall, 17% of ER+/PR+ postmenopausal breast cancer and 14% of total postmenopausal breast cancer are attributable to weight gain of > 5 kg since age 18.
A systematic approach to calibrate a transferable polarizable force field parameter set for primary alcohols
Authors: Visscher Koen M. , Vosmeer C. Ruben , Luirink Rosa A. , Geerke Daan P.
Published: January 2017

In this work, parameters are optimized for a charge‐on‐spring based polarizable force field for linear alcohols. We show that parameter transferability can be obtained using a systematic approach in which the effects of parameter changes on physico‐chemical properties calculated from simulation are predicted. Our previously described QM/MM calculations are used to attribute condensed‐phase polarizabilities, and starting from the non‐polarizable GROMOS 53A5/53A6 parameter set, van der Waals and Coulomb interaction parameters are optimized to reproduce pure‐liquid (thermodynamic, dielectric, and transport) properties, as well as hydration free energies. For a large set of models, which were obtained by combining small perturbations of 10 distinct parameters, values for pure‐liquid properties of the series methanol to butanol were close to experiment. From this large set of models, we selected 34 models without special repulsive van der Waals parameters to distinguish between hydrogen‐bonding and non‐hydrogen‐bonding atom pairs, to make the force field simple and transparent. © 2017 Wiley Periodicals, Inc.
The effect of different protease inhibitors on stability of parathyroid hormone, insulin, and prolactin levels under different lag times and storage conditions until analysis
Authors: Baykan Ozgur , Yaman Ali , Gerin Fethullah , Sirikci Onder , Haklar Goncagul
Published: January 2017

Introduction

Proteolytic cleavage through proteases affects peptide hormone levels, which is of particular significance when the time interval between sampling and analysis is prolonged. We evaluated the stability of parathyroid hormone, insulin, and prolactin molecules (i) with different protease inhibitors such as K2EDTA, aprotinin, and protease inhibitor cocktail (PIC), (ii) with different lag times (6‐72 hours), and (iii) under different storage temperatures (4°C vs room temperature [RT]) until analysis.

Materials and Methods

Blood samples were collected into 2 sets of 5 Vacutainer® tubes (Becton Dickinson) from 10 healthy adults. Tubes 1 and 2 were plain gel separator tubes. Tubes 3, 4, and 5 contained PIC (1%), aprotinin (500 KIU/mL), and K2EDTA, respectively. After centrifugation at 1300 g for 10 minutes, PIC added to tube 2 of each set. Samples were analyzed and then one set was stored at 4°C, whereas the other at RT until analysis at 6, 24, 48, and 72 hours. Hormone levels were determined with electrochemiluminescence immunoassay (ModularE170; Roche Diagnostics). The results were compared with desirable bias limits (DBL) from Westgard QC database.

Results

Insulin at RT decreases exceeding the DBL starting from 24 hours and K2EDTA preserved insulin. PTH exceeded the DBL at RT for 48 hours or longer and PIC addition after centrifugation inhibited its degradation. Prolactin remained stable in all tested conditions. All parameters in the plain gel separator tubes remained within DBL when stored at 4°C until 72 hours.

Conclusions

Different proteases may degrade peptide hormones and measures should be taken to counteract these effects especially if there is a delay before analysis.
ASSESSMENT OF RISK AND PROTECTION IN NATIVE AMERICAN YOUTH: STEPS TOWARD CONDUCTING CULTURALLY RELEVANT, SUSTAINABLE PREVENTION IN INDIAN COUNTRY
Authors: Guttmannova Katarina , Wheeler Melissa J. , Hill Karl G. , Evans‐Campbell Teresa A. , Hartigan Lacey A. , Jones Tiffany M. , Hawkins J. David , Catalano Richard F.
Published: January 2017

This study constitutes a building block in the cultural adaptation of Communities That Care (CTC), a community‐based prevention system that has been found to be effective in reducing youth problem behaviors. Using the data from the CTC normative survey dataset that comprises more than a quarter million youth nationwide, this study examines the reliability and validity of scores derived from the CTC Youth Survey (CTC‐YS), one of the primary assessment tools for gathering community data on risk and protective factors related to problem behaviors including substance use. The reliability and criterion validity analyses are conducted overall for both the nationwide sample of youth and the student subsample of Native American youth. The results of this study indicate that the existing CTC‐YS assessments of risk and protective factors in the domains of community, family, school, and peer groups as well as within individuals yield scores that are reliable and valid within the Native American sample of youth. This study informs the third step in the CTC prevention planning process, which involves the assessment of risk and protective factors to be targeted in preventive interventions. The question of how the assessment of risk and protective factors among Native American youth might be further improved and a description of efforts related to the cultural adaptation of the CTC program currently underway also are addressed in the discussion.
Modelling of aortic aneurysm and aortic dissection through 3D printing
Authors: Ho Daniel , Squelch Andrew , Sun Zhonghua
Published: January 2017

Introduction

The aim of this study was to assess if the complex anatomy of aortic aneurysm and aortic dissection can be accurately reproduced from a contrast‐enhanced computed tomography (CT) scan into a three‐dimensional (3D) printed model.

Methods

Contrast‐enhanced cardiac CT scans from two patients were post‐processed and produced as 3D printed thoracic aorta models of aortic aneurysm and aortic dissection. The transverse diameter was measured at five anatomical landmarks for both models, compared across three stages: the original contrast‐enhanced CT images, the stereolithography (STL) format computerised model prepared for 3D printing and the contrast‐enhanced CT of the 3D printed model. For the model with aortic dissection, measurements of the true and false lumen were taken and compared at two points on the descending aorta.

Results

Three‐dimensional printed models were generated with strong and flexible plastic material with successful replication of anatomical details of aortic structures and pathologies. The mean difference in transverse vessel diameter between the contrast‐enhanced CT images before and after 3D printing was 1.0 and 1.2 mm, for the first and second models respectively (standard deviation: 1.0 mm and 0.9 mm). Additionally, for the second model, the mean luminal diameter difference between the 3D printed model and CT images was 0.5 mm.

Conclusion

Encouraging results were achieved with regards to reproducing 3D models depicting aortic aneurysm and aortic dissection. Variances in vessel diameter measurement outside a standard deviation of 1 mm tolerance indicate further work is required into the assessment and accuracy of 3D model reproduction.
Hydroxytyrosol extracts, olive oil and walnuts as functional components in chicken sausages
Authors: Nieto Gema , Martínez Lorena , Castillo Julian , Ros Gaspar
Published: January 2017

BACKGROUND

Olive oil, hydroxytyrosol and walnut can be considered ideal Mediterranean ingredients for their high polyphenolic content and healthy properties. Three extracts of hydroxytyrosol obtained using different extraction processes (HXT 1, 2, 3) (50 ppm) were evaluated for use as antioxidants in eight different chicken sausage formulas enriched in polyunsaturated fatty acids (2.5 g 100 g−1 walnut) or using extra virgin olive oil (20 g 100 g−1) as fat replacer. Lipid and protein oxidation, colour, emulsion stability, and the microstructure of the resulting chicken sausages were investigated and a sensory analysis was carried out.

RESULTS

The sausages with HXT extracts were found to decrease lipid oxidation and to lead to the loss of thiol groups compared with control sausages. Emulsion stability (capacity to hold water and fat) was greater in the sausages containing olive oil and walnut than in control sausages. In contrast, the HXT extracts produced high emulsion instability (increasing cooking losses). Sensory analysis suggested that two of the HXT extracts studied (HXT2 and HXT3) were unacceptable, while the acceptability of the other was similar to that of the control products. Sausages incorporating HXT showed different structures than control samples or sausages with olive oil, related to the composition of the emulsion.

CONCLUSION

These results suggest the possibility of replacing animal fat by olive oil and walnut in order to produce healthy meat products. © 2017 Society of Chemical Industry
Reverse Thermal Gel for In Utero Coverage of Spina Bifida Defects: An Innovative Bioengineering Alternative to Open Fetal Repair
Authors: Marwan Ahmed I. , Williams Sarah M. , Bardill James R. , Gralla Jane , Abdul‐Aziz Noraishah M. , Park Daewon
Published: January 2017

Current state‐of‐the‐art management of open spina bifida defects entails an open fetal surgery approach associated with significant morbidities. In an attempt to reduce these risks and provide for an earlier minimally invasive repair, it is aimed to develop and characterize an innovative alternative using a unique reverse thermal gel. This study focuses on characterization of the physical and biological properties of the polymer and its in vivo applicability. Based on the knowledge and benchmarking, the “ideal” biomaterial should have the following characteristics: stability in amniotic fluid, limited permeability, biocompatibility, biologically functional, nontoxic, ability to support cellular functions, and in vivo applicability. The results demonstrate that the polymer possesses a unique ultrastructure, is stable in amniotic fluid, possesses limited yet predictable permeability, biocompatible with cells exposed in neural tube defects, is nontoxic, and can support cellular migration. These characteristics make it a potential novel alternative to open fetal repairs.

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Optical Waveguide‐Enhanced Diffraction for Observation of Responsive Hydrogel Nanostructures
Authors: Pirani Federica , Sharma Nityanand , Moreno‐Cencerrado Alberto , Fossati Stefan , Petri Christian , Descrovi Emiliano , Toca‐Herrera José L. , Jonas Ulrich , Dostalek Jakub
Published: January 2017

Optical diffraction measurements are reported for in situ observation of swelling and collapsing of responsive hydrogel nanostructures. The optical signal is enhanced by probing the surface carrying periodic arrays of hydrogel nanostructures by resonantly excited optical waveguide modes. UV‐nanoimprint lithography is employed for the preparation of the arrays of nanopillars from photo‐crosslinked N‐isopropylacrylamide (pNIPAAm)‐based hydrogel that are covalently tethered to a gold surface. The thermo‐responsive properties of such pNIPAAm nanopillars that swell in 3D are compared to those of a thin film prepared from the identical material and that is allowed to swell predominantly in 1D. The nanopillars with a diameter of ≈100 nm and aspect ratio of 2 swell by a factor of ≈6 as determined by optical measurements supported by simulations that are compared to morphological characteristics obtained from atomic force microscopy. Bending of nanopillars above the lower critical solution temperature (LCST), erasure of the topographic structure by drying at temperature below the LCST, and recovery by subsequent swelling below the LCST and drying at temperature above the LCST are observed.

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Epidemiology, Diagnosis, and Management of Neurogenic Orthostatic Hypotension
Authors: Palma Jose‐Alberto , Kaufmann Horacio
Published: January 2017

Background

Orthostatic hypotension (OH) is a sustained fall in blood pressure on standing that can cause symptoms of organ hypoperfusion. OH is associated with increased morbidity and mortality and leads to a significant number of hospital admissions, particularly in the elderly (233 per 100,000 patients >75 years of age in the United States). OH can result from volume depletion, blood loss, large varicose veins, medications, or because of defective activation of sympathetic nerves and reduced norepinephrine release on standing (i.e., neurogenic OH).

Methods and Findings

A literature review shows that neurogenic OH is a frequent and disabling problem in patients with synucleinopathies such as Parkinson's disease, multiple system atrophy, and pure autonomic failure, and it is commonly associated with supine hypertension. Several pharmacological and nonpharmacological therapeutic options are available.

Conclusions

Here we review the epidemiology, diagnosis, and management of neurogenic OH, and provide an algorithm for its treatment, emphasizing the importance of removing aggravating factors, implementing nonpharmacologic measures, and selecting appropriate pharmacological treatments.
N‐γ‐(L‐Glutamyl)‐L‐selenomethionine enhances stress resistance and ameliorates aging indicators via the selenoprotein TRXR‐1 in Caenorhabditis elegans
Authors: Chang Chun‐Han , Ho Chi‐Tang , Liao Vivian Hsiu‐Chuan
Published: January 2017

Scope

Selenium is an essential trace nutrient for human health. This study investigates the organic form of selenium, N‐γ‐(L‐Glutamyl)‐L‐selenomethionine (Glu‐SeMet), for its effects on aging indicators and stress resistance. The role of the selenoprotein TRXR‐1 was also evaluated in Caenorhabditis elegans.

Methods and results

Glu‐SeMet‐treated wild‐type N2 worms showed increased survival upon oxidative and thermal stress challenges. However, Glu‐SeMet treatment did not extend the lifespan of wild‐type N2 C. elegans under normal conditions (p = 0.128 for 0.01 μM and p = 0.799 for 10 μM Glu‐SeMet). Under stress conditions, Glu‐SeMet significantly increased the survival of wild‐type N2 C. elegans, but the phenomenon was absent from trxr‐1 null mutant worms. Furthermore, Glu‐SeMet treatments significantly ameliorated aging indicators, including body bends, pumping rate, defecation duration, and lipofuscin accumulation in wild‐type N2 nematodes. Nevertheless, the ameliorative effects by Glu‐SeMet were absent in the trxr‐1 null mutant worms.

Conclusion

The findings indicate that enhanced stress resistance and improved aging indicators by Glu‐SeMet in C. elegans are mediated by the selenoprotein TRXR‐1. Glu‐SeMet has potential for improving health and also provides new insights into selenium's regulatory mechanisms in intact organisms.
Controlling the stereostructure of non‐planar ring to induce the transition from plastic to elastomer in poly(butylene adipate‐co‐1,4‐cyclohexane dicarboxylate) and implement of polylactic acid toughness
Authors: Qiu Jia , Liu Fei , Zhang Junwu , Chen Jing , Na Haining , Zhu Jin
Published: January 2017

The controllable polyesters with high overall performance are obtained by tuning the stereostructure of 1,4‐cyclohexylene ring moieties (CHRMs) in poly(butylene adipate‐co−1,4‐cyclohexanedicarboxylate) (PBAC). After increasing the number of irregular cis‐CHRMs in the polyester, PBAC can transform from semicrystalline polymer to amorphous one. PBAC with 58% cis‐CHRMs starts to exhibit good elasticity with shape recovery of 60% at 250% deformation, indicating the transition from plastic to thermoplastic elastomer. Through blending with polylactic acid (PLA), the elastic PBAC greatly enhances the impact strength of PLA to 7.5 kJ/m2. While the tensile elongation at break is dramatically improved to 161% with the addition of plastic PBAC. The mechanism related to the stereostructure of non‐planar ring of PBAC on the properties of PLA is also analyzed. Therefore, this research suggests a particular way to build non‐planar ring contained polyesters to modify PLA with high toughness. POLYM. ENG. SCI., 57:1277–1284, 2017. © 2017 Society of Plastics Engineers
Photovoltaic failure and degradation modes
Authors: Jordan Dirk C. , Silverman Timothy J. , Wohlgemuth John H. , Kurtz Sarah R. , VanSant Kaitlyn T.
Published: January 2017

The extensive photovoltaic field reliability literature was analyzed and reviewed. Future work is prioritized based upon information assembled from recent installations, and inconsistencies in degradation mode identification are discussed to help guide future publication on this subject. Reported failure rates of photovoltaic modules fall mostly in the range of other consumer products; however, the long expected useful life of modules may not allow for direct comparison. In general, degradation percentages are reported to decrease appreciably in newer installations that are deployed after the year 2000. However, these trends may be convoluted with varying manufacturing and installation quality world‐wide. Modules in hot and humid climates show considerably higher degradation modes than those in desert and moderate climates, which warrants further investigation. Delamination and diode/j‐box issues are also more frequent in hot and humid climates than in other climates. The highest concerns of systems installed in the last 10 years appear to be hot spots followed by internal circuitry discoloration. Encapsulant discoloration was the most common degradation mode, particularly in older systems. In newer systems, encapsulant discoloration appears in hotter climates, but to a lesser degree. Thin‐film degradation modes are dominated by glass breakage and absorber corrosion, although the breadth of information for thin‐film modules is much smaller than for x‐Si. Copyright © 2017 John Wiley & Sons, Ltd.
Household proximity to water and nontuberculous mycobacteria in children with cystic fibrosis
Authors: Bouso Jennifer M. , Burns James J. , Amin Raid , Livingston Floyd R. , Elidemir Okan
Published: January 2017

Background

Nontuberculous mycobacteria (NTM) have a particular affinity for patients with cystic fibrosis (CF). Recent studies suggest a possible relationship between acquiring NTM and the level of environmental water in a given area. We sought to determine if there is an association between household proximity to water and NTM in children with CF.

Materials and Methods

An IRB‐approved retrospective chart review was completed on 150 children with CF in Florida. Inclusion criteria required regular follow‐up, at least two acid‐fast bacilli cultures, and a consistent home address over a 3‐year period. The distance from each patient's home to the nearest body of water was measured using ArcMap®, a Geographic Information System, and the mean distance to water for NTM‐positive and NTM‐negative groups were compared. A stepwise backwards logistic regression was used to evaluate for predictors of NTM‐positivity.

Results

Of the 150 CF patients, 65 met inclusion criteria and 21 (32.3%) tested positive for NTM. Comparison of the mean distance to water for NTM‐positive versus NTM‐negative groups revealed a cutoff of 500 meters. On the logistic regression, CF patients who lived within 500 meters of water were 9.4 times more likely to acquire NTM (P = 0.013). Other significant predictors included a history of Aspergillus fumigatus (OR 7.9, P = 0.011) and recent history of Pseudomonas aeruginosa (OR 2.5, P = 0.007).

Conclusions

In the regions studied, children with CF who live closer to water are more likely to acquire nontuberculous mycobacteria. Future studies in other geographic areas are needed to determine if these results are generalizable. Pediatr Pulmonol. 2017;52:324–330. © 2016 Wiley Periodicals, Inc.
A Facile, Catalyst‐Free Mechano‐Synthesis of Quinoxalines and their In‐Vitro Antibacterial Activity Study
Authors: Bhutia Zigmee T. , Prasannakumar Geethika , Das Avijit , Biswas Malabika , Chatterjee Amrita , Banerjee Mainak
Published: January 2017

A catalyst‐free, greener and highly efficient method for the synthesis of a series of quinoxaline derivatives involving simple liquid assisted hand‐grinding in a mortar and pestle has been developed. The mechanochemical agitation under LAG was sufficient enough for the smooth condensation of both aromatic and heteromatic 1,2‐diamines with a variety of 1,2‐dicarbonyl compounds to afford the corresponding quinoxalines in high yields. Several of these quinoxaline derivatives inhibit the growth of Mycobacterium smegmatis in moderate to good effect. Simple substitution in the quinoxaline ring was found to be more effective in antibacterial agents than bulky substitution. In particular, pyrido[2,3‐b]pyrazines with an additional N‐atom in the scaffold showed better activity than others. Overall, the key advantages of this method are simplicity of operation, catalyst‐free condition, solvent‐less synthesis, low E‐factor, cleaner reaction profile, devoid of work‐up step, easy purification and shorter reaction times, and the new series of pyrido[2,3‐b]pyrazines are good antibacterial agents against M. smegmatis.
Co‐Assembly and Self‐Sorting Effects in Gels of Blends of Polyurethane Model Compounds
Authors: Chan Anita S. W. , Sundararajan Pudupadi R.
Published: January 2017

We present studies on two‐component organo‐gels of small molecule analogues of polyurethanes. Whereas the two‐component organo‐ or polymer gels reported in the literature so far involve two types of polymers or polymer/ small molecules, this paper deals with blends of homologous pairs of biscarbamates, which differ only in the number of CH2 groups in the side chain. The mixture of any two biscarbamates self‐sort when crystallized from the melt or solution. We also showed before that these molecules, with a side chain shorter than (CH2)6 do not form gels by themselves as a single component. However, in this work, it was found that a blend of biscarbamates with side chains (CH2)3 and (CH2)15 (denoted as C3/ C15 henceforth) formed a homogeneous gel with benzonitrile as the solvent. A small ratio of the C15 component is sufficient to depress the precipitation of C3 and form a gel, leading to co‐assembly in these gels. Such an effect was also seen in the gelation of blends of C8 and C9, which differ by just one CH2 group in the side chains (Δx=1). With the gels of C7/C9 blends (Δx=2), an ageing effect was seen in that the as‐prepared gel did not show any self‐sorting, but the aged gel did. Self‐sorting was observed in the two‐component gels of biscarbamates with Δx > 2. We believe that this is the first case of two‐component organo‐gels of homologous pairs in which co‐assembly and self‐sorting phenomena were observed.
Unravelling the Mechanism of Non–photoactivated [2+2] Cycloaddition Reactions: Relevance of Orbital Interactions and Zwitterionic Intermediates
Authors: Arpa Enrique M. , Aguilar‐Galindo Fernando , Díaz‐Tendero Sergio
Published: January 2017

In this work, a thorough theoretical study of the [2+2] cycloaddition reaction between asymmetric substituted alkenes is presented. The simulations evidence a concerted asynchronous or stepwise mechanism, depending on the nature of the electron‐deficient alkene. We have found a direct relation between the interaction of the frontier‐orbitals (HOMO‐LUMO) and the distortion energy with the activation energy (whose values oscillate between ∼4 and ∼35 kcal/mol in the studied cases). We thus conclude that the interaction between the frontier‐orbitals govern the reaction, through changes in the distortion energy. We also show that the lifetime of the zwitterionic intermediate determine the relative stereochemistry of the products.
Synthesis of Cadmium Selenide Quantum Dots, Using 2,2‐Bipyridine as a Capping and Phase Transfer Agent
Authors: Sousa David M. , Lima João Carlos , Ferreira Isabel
Published: January 2017

Cadmium selenide quantum dots (CdSe QDs), were synthesized by one‐pot or water‐to‐organic phase transfer and capped with molten 2,2′‐bipyridine (bipy). The obtained CdSe QDs by the two‐step procedure, reveal average sizes of 2 nm while the one‐pot are mixed with secondary salt products and bipy and are undetectable by TEM. However the absorption peak of both CdSe QDs was at 425 nm and the emission band is centered at 535 nm, with a band width at half height of 77 nm, when excited with 425 nm light. The two‐step CdSe QDs synthesis has the great advantage of capping the CdSe QDs with bipy, forming a solid phase, which is easily stored and dispersed in most of the organic solvents. On the other hand, the one‐pot procedure requires an extra step to remove the secondary products.
A Facile Synthesis and Antituberculosis Properties of Almazole D and Its Enantiomer
Authors: Lade Dhanaji M. , Krishna Vagolu Siva , Sriram Dharmarajan , Rode Haridas B.
Published: January 2017

An efficient route for the synthesis of almazole D has been developed using oxidative cyclization as a key step. This approach is successfully applied to the first synthesis of almazole D enantiomer. (R)‐almazole D and synthesized intermediates showed potent inhibition of Mycobacterium tuberculosis. This hybrid 5‐(3‐indolyl)oxazole scaffold has drug like properties and is a good starting point for further exploration in antituberculosis drug discovery.
Rhodium‐Catalyzed ortho‐Selective C‐F Activation and Hydrodefluorination of Heterocycle‐Substituted Polyfluoroarenes: Dominated by Phosphine Ligands
Authors: Chen Jianping , Huang Dongyang , Ding Yuqiang
Published: January 2017

In this paper, the ortho‐selective mono‐hydrodefluorination and/or di‐hydrodefluorination of heterocycle substituted polyfluoroarenes were catalyzed by rhodium complexes along with phosphine ligands and ethanol as hydride source. Diverse partially fluorinated aromatics had been synthesized by this method. The study of the mechanism demonstrated that ethanol was the sole hydride source in the cycle of hydrodefluorination. Furthermore, the phosphine ligand controlled chemoselectivity had been discussed by monitoring experiment.
Molecular‐Iodine‐Mediated, Efficient One‐Pot Synthesis of 2‐Iminohydantoins and 2‐Amino‐1H‐imidazol‐4(5H)‐ones by Cyclodeselenization of Selenourea‐Tethered Amides/Peptides
Authors: Prabhu Girish , Santhosh L. , Nagendra G. , Panduranga Veladi , Sureshbabu Vommina V.
Published: January 2017

An efficient one‐pot synthesis of 2‐iminohydantoins and 2‐amino‐1H‐imidazol‐4(5H)‐ones via iodine mediated intramolecular cyclodeselenization of intermediate selenourea tethered amides/peptides is described. The method employs selenophilic ability of environmentally benign iodine to effect the deselenization at room temperature, thereby avoids harsh conditions that are generally employed in the synthesis of iminohydantoins. Significantly 2‐(N‐alkylamino)‐1H‐imidazol‐4(5H)‐ones and 2‐iminohydantoin conjugates of di‐ and tripeptides could be synthesized. Other advantages of the method include mild condition, short duration, wide substrate scope, simple workup and purification of the products.
An Efficient Total Synthesis of (–)‐(R), (+)‐(S)‐Lavandulol Pheromones and Their Derivatives through Proline Catalyzed Asymmetric α‐Aminooxylation and [3,3] Claisen Rearrangement
Authors: Bhosale Viraj A. , Waghmode Suresh B.
Published: January 2017

An efficient total synthesis of the enantiomerically pure lavandulol pheromones viz. (–)‐(R) and (+)‐(S)‐lavandulol, (–)‐(R)‐lavandulyl acetate, (–)‐(R)‐lavandulyl propionate, (+)‐(S)‐lavandulyl 2‐methylbutanoate and (+)‐(S)‐lavandulyl senecioate is accomplished from nonchiral and chiral materials. The strategy utilizes a sequence of proline catalyzed asymmetric α‐aminooxylation and [3,3] Claisen rearrangement for stereodivergent synthesis of chiral C‐2 unit containing 4‐pentenols.
Catalytic Enantioselective Cyano‐Trifluoromethylation of Styrenes
Authors: Sha Wanxing , Zhu Yi , Mei Haibo , Han Jianlin , Soloshonok Vadim A. , Pan Yi
Published: January 2017

Reported herein is the catalytic enantioselective cyano‐trifluoromethylation of styrenes allowing a straightforward preparation of a new structural class of fluorine‐containing compounds. We demonstrate that the desired transformation can be successfully realized using catalytic system of Cu(II)/chiral bidentate bis(oxazoline) ligand, TMS‐CN and Togni reagents, as sources of the CN and CF3 groups, respectively. Preliminary results strongly suggest synthetic potential of this method as the target cyano‐trifluoromethylated products can be generally obtained with high chemical yields (59‐90 %) and excellent enantiomeric purity (91‐98 % ee).
Total Synthesis of Neuritogenic Alkynes: Lembehyne B and Key Intermediate of Lembehyne A
Authors: D'yakonov Vladimir A. , Makarov Alexey A. , Dzhemileva Lilya U. , Andreev PhD Evgeny N. , Dzhemilev Usein M.
Published: January 2017

A new Ti‐catalyzed cross‐cyclomagnesiation of aliphatic and oxygenated 1,2‐dienes with EtMgBr in the presence of Cp2TiCl2 was used in the key stage for the development for the first time original methods for the preparation of racemic and natural neuritogenic alkynes lembehyne B and stereoselective syntheses of (4Z,8Z)‐pentacosa‐4,8‐dien‐1‐ol ‐ the key intermediate in the total synthesis of lembehyne A.
The impacts of bottled water: an analysis of bottled water markets and their interactions with tap water provision
Authors: Hawkins Gay
Published: January 2017

The phenomenal recent growth of polyethylene terephthalate (PET) bottled water is distinctively different from previous bottled mineral water markets that have been around for centuries. Plastic bottled water (hereafter BW) has been marketed as a fast moving consumer good, as a healthy drinking choice and, increasingly, as a safer alternative to existing drinking water. BW markets emerged in response to several key factors: changes in consumer drinking practices; opportunistic strategies on the part of beverage companies to diversify into water; the development of PET bottles; the intensification of sophisticated branding techniques; and various drinking water scares ranging from state failure to water quality controversies. In many cities with safe drinking water BW has faced significant opposition. While this opposition appears to have done little to halt market growth it has prompted a whole new terrain of drinking water politics. These politics foreground the effects of representing and delivering drinking water as an individualized good versus distribution via reticulated networks in which consumers gain access to a collective service. However, activist critiques of BW can sometimes miss the subtle ways in which bottles are ontologically interfering with the political and public health values of safe tap water. These impacts are complex and highly variable according to the specific context of existing drinking water provision and hydrocultures and the ways in which bottles interact with these. Understanding these interactions could help limit the capacity of bottled water markets to undermine the ongoing commitment to safe collective water provision in the interest of the common good. WIREs Water 2017, 4:e1203. doi: 10.1002/wat2.1203

This article is categorized under:

Human Water > Rights to Water

Human Water > Value of Water

Engineering Water > Water, Health, and Sanitation
A comparative study of seizures in arterial and venous stroke
Authors: Singh R. , Bhoi S. , Kalita Jayantee , Misra Usha , Gupta D.
Published: January 2017

Objective This study was undertaken to compare the frequency, spectrum and predictors of seizures in arterial stroke and cerebral venous sinus thrombosis (CVST).

Methods The patients having seizures following arterial stroke or CVST during 2010–2015 were included. Stroke was confirmed by computerized tomography (CT) scan, magnetic resonance imaging (MRI) and or MR Venography (MRV). The seizures were categorized into early seizures (<14 days) and late seizures (≥14 days) of arterial stroke or CVST. Neurological findings, risk factors for stroke and CVST were noted. The severity of stroke was defined by National Institute of Health Stroke Scale (NIHSS). The outcome on discharge was assessed by modified Rankin Scale (mRS) as good (0–2) or poor (>2).

Results There were 870 patients with arterial stroke and 128 with CVST. Seizures occurred in 74 (57.8%) of CVST and 119 (13.7%) of arterial stroke. Early seizures were more common in CVST than arterial stroke (98.6% vs. 47.9%, p = 0.001) whereas late seizures were more common after arterial stroke than CVST (52.1% vs. 1.4%, p = 0.001). In the arterial stroke, seizures were predicted by carotid territory ischemic stroke (OR 3.95, 95% CI 1.51–10.32, p = 0.005) and CVST by parenchymal involvement (OR 2.61, 95% CI 1.04–6.55, p = 0.04)

Conclusion CVST results in more frequent and early seizures whereas in arterial stroke late seizures are common. Post stroke seizures in ischemic stroke were predicted by carotid territory infarction and venous stroke by parenchymal involvement.
YIELD UNCERTAINTY AND MILK SUPPLY RESPONSE IN TWO-TIER PRICE SYSTEMS
Authors: ATSBEHA DANIEL MULUWORK
Published: January 2017

In two-tier price systems, yield uncertainty creates incentives to overproduce quantity-restricted outputs even when prices for surplus output are very low. These incentives arise from precautionary motives against expected losses from quota shortfalls. Using an approach augmented for multiple input applications, the likelihood of excess production and the relative importance of price changes in different markets are estimated for Icelandic dairy farms. The results indicate that the average farm plans to exceed its quota, and price changes in the surplus milk market are approximately three times more effective in generating supply response than price changes in the quota milk market.
Defining Roles for Pharmacy Personnel in Disaster Response and Emergency Preparedness
Authors: Alkhalili Mohammad , Ma Janice , Grenier Sylvain
Published: January 2017

Ongoing provision of pharmaceuticals and medical supplies is of key importance during and following a disaster or other emergency event. An effectively coordinated response involving locally available pharmacy personnel—drawing upon the efforts of licensed pharmacists and unlicensed support staff—can help to mitigate harms and alleviate hardship in a community after emergency events. However, pharmacists and their counterparts generally receive limited training in disaster medicine and emergency preparedness as part of their initial qualifications, even in countries with well-developed professional education programs. Pharmacy efforts have also traditionally focused on medical supply activities, more so than on general emergency preparedness. To facilitate future work between pharmacy personnel on an international level, our team undertook an extensive review of the published literature describing pharmacists’ experiences in responding to or preparing for both natural and manmade disasters. In addition to identifying key activities that must be performed, we have developed a classification scheme for pharmacy personnel. We believe that this framework will enable pharmacy personnel working in diverse practice settings to identify and undertake essential actions that are necessary to ensure an effective emergency response and will promote better collaboration between pharmacy team members during actual disaster situations. (Disaster Med Public Health Preparedness. 2017;11:496–504)
Pottery Firing Structures in the Early Mediterranean: Micromorphological Evidence and Archaeological Data from Middle Neolithic Kouphovouno (Southern Greece)
Authors: Ballut Christèle , Renard Josette , Cavanagh William G. , Orgeolet Raphaël
Published: January 2017

Excavations at Kouphovouno (Laconia, Greece) have revealed burnt deposits associated with firing structures. The ‘millefeuille’ (vanilla slice) observed was composed of alternating layers of burnt red aggregates and white carbonate. Their description, micromorphological study, and contrast with a more standard structure of the Middle Neolithic allow us to interpret the layers as belonging to a structure for firing pottery: a covered clamp. This study has clarified its method of construction, operation, and use within a domestic context. After heating and cooking, the production of pottery and lime was one of the pyrotechnological activities most consumptive of energy among Neolithic communities, yet direct evidence for firing installations has been elusive. A new approach to the problem of locating pottery firing sites is presented here. The firing of pottery seems the most likely use for this type of structure, though the production of lime is also discussed.
Neolithic ‘Celtic’ Fields? A Reinterpretation of the Chronological Evidence from Céide Fields in North-western Ireland
Authors: Whitefield Andrew
Published: January 2017

It has long been claimed that the coaxial stone boundaries of Céide Fields, County Mayo, are a phenomenon of the Irish Early Neolithic — analogous to later prehistoric ‘Celtic’ fields in all but age. This study argues that the age disparity is an artefact of the research methods, and that the age of the main Céide Fields complex has been overestimated by as much as two-and-a-half millennia.
C. I. LEWIS AND THE BENACERRAF PROBLEM
Authors: Fischer Bob
Published: January 2017

Realists about modality offer an attractive semantics for modal discourse in terms of possible worlds, but standard accounts of the worlds – as properties, propositions, or causally isolated concreta – invoke entities with which we can't interact. If realism is true, how can we know anything about modal matters? Let's call this “the Benacerraf Problem.” I suggest that C. I. Lewis has an intriguing answer to it. Given that we're willing to disentangle some of Lewis's insights from his phenomenalism, we can take the following line. If the Benacerraf Problem is a genuine one, then it threatens all knowledge – not just modal knowledge. But then it leads to a general and implausible form of skepticism, not a limited and more plausible debunking argument. Hence, whatever we're willing to say about skepticism we should say about the Benacerraf Problem.
A DILEMMA FOR THE KNOWLEDGE DESPITE FALSEHOOD STRATEGY
Authors: Buford Christopher , Cloos Christopher Michael
Published: January 2017

One strategy for dealing with apparent cases of knowledge from falsehood is to deny that the knowledge actually is from a falsehood. Those endorsing such a move have suggested that cases of knowledge from falsehood are instead cases of knowledge despite falsehood. We here provide a dilemma for those wanting to reject the possibility of knowledge from falsehood. The dilemma is explained in part by examining recent attempts to deny that knowledge can be inferentially derived from falsehood.
Rise of HR—New Mandates for I-O
Authors: Schiemann William A. , Ulrich Dave
Published: January 2017

These are exciting and changing times in the world of business overall and for industrial–organizational (I-O) psychologists in particular. To anticipate where human capital professionals may add the most value to organizations in the future, we asked 73 leading academics, consultants, association leaders, and senior human resources (HR) leaders to articulate what HR professionals need to know and do to be successful in the future. The responses create unique insights on challenges and opportunities for I-O psychologists who want to have impact from their work. We summarize these insights into 7 themes and discuss their implications for an emerging I-O mandate.
Dating the Expansion of the Inca Empire: Bayesian Models from Ecuador and Argentina
Authors: Marsh Erik J , Kidd Ray , Ogburn Dennis , Durán Víctor
Published: January 2017

The chronology of the Inca Empire has traditionally relied on ethnohistoric dates, which suggest that a northern expansion into modern Ecuador began in AD 1463 and a southern expansion into modern Argentina began in AD 1471. We test the validity of these dates with two Bayesian models, which show that the ethnohistoric dates are incorrect and that the southern expansion began before the northern one. The first model of seven dates shows that the site of Chamical, Ecuador, was first occupiedcal AD 1410–1480 (95% probability)and has a high probability of being built prior to the ethnohistoric date. The second is an outlier model of 2614C dates and 19 thermoluminescence (TL) dates from 10 sites along the empire’s southeastern limit in northwestern Mendoza, Argentina. Here, the Inca occupation begancal AD 1350–1440 (95% probability), also earlier than the ethnohistoric date. The model also suggests that the Inca occupation of Mendoza lasted70–230 yr (95% probability), longer than previously thought, which calls for new perspectives on the timing and nature of Inca conquests and relationships with local groups. Based on these results, we argue it is time to abandon the traditional chronology in favor of Inca chronologies based on Bayesian models.
A cafeteria diet triggers intestinal inflammation and oxidative stress in obese rats
Authors: Gil-Cardoso K. , Ginés I. , Pinent M. , Ardévol A. , Terra X. , Blay M.
Published: January 2017

The gastrointestinal alterations associated with the consumption of an obesogenic diet, such as inflammation, permeability impairment and oxidative stress, have been poorly explored in both diet-induced obesity (DIO) and genetic obesity. The aim of the present study was to examine the impact of an obesogenic diet on the gut health status of DIO rats in comparison with the Zucker (fa/fa) rat leptin receptor-deficient model of genetic obesity over time. For this purpose, female Wistar rats (n 48) were administered a standard or a cafeteria diet (CAF diet) for 12, 14·5 or 17 weeks and were compared with fa/fa Zucker rats fed a standard diet for 10 weeks. Morphometric variables, plasma biochemical parameters, myeloperoxidase (MPO) activity and reactive oxygen species (ROS) levels in the ileum were assessed, as well as the expressions of proinflammatory genes (TNF-α and inducible nitric oxide synthase (iNOS)) and intestinal permeability genes (zonula occludens-1, claudin-1 and occludin). Both the nutritional model and the genetic obesity model showed increased body weight and metabolic alterations at the final time point. An increase in intestinal ROS production and MPO activity was observed in the gastrointestinal tracts of rats fed a CAF diet but not in the genetic obesity model. TNF-α was overexpressed in the ileum of both CAF diet and fa/fa groups, and ileal inflammation was associated with the degree of obesity and metabolic alterations. Interestingly, the 17-week CAF group and the fa/fa rats exhibited alterations in the expressions of permeability genes. Relevantly, in the hyperlipidic refined sugar diet model of obesity, the responses to chronic energy overload led to time-dependent increases in gut inflammation and oxidative stress.
Long-chain alkanes and fatty acids fromLudwigia octovalvisweed leaf surface waxes as short-range attractant and ovipositional stimulant toAltica cyanea(Weber) (Coleoptera: Chrysomelidae)
Authors: Mitra S. , Sarkar N. , Barik A.
Published: January 2017

The importance of leaf surface wax compounds from the rice-field weedLudwigia octovalvis(Jacq.) Raven (Onagraceae) was determined in the flea beetleAltica cyanea(Weber) (Coleoptera: Chrysomelidae). Extraction, thin layer chromatography and GC-MS and GC-FID analyses of surface waxes of young, mature and senescent leaves revealed 20, 19 and 19n-alkanes betweenn-C15andn-C35, respectively; whereas 14, 14 and 12 free fatty acids between C12:0 and C22:0 fatty acids were identified in young, mature and senescent leaves, respectively. Tricosane was predominantn-alkane in young and mature leaves, whilst eicosane predominated in senescent leaves. Heneicosanoic acid, palmitic acid and docosanoic acid were the most abundant free fatty acids in young, mature and senescent leaves, respectively.A. cyaneafemales showed attraction to 0.25 mature leaf equivalent surface waxes compared with young or senescent leaves in a short glass Y-tube olfactometer bioassay. The insects were attracted to a synthetic blend of 0.90, 1.86, 1.83, 1.95, 0.50 and 0.18 µg ml−1petroleum ether of hexadecane, octadecane, eicosane, tricosane, palmitic acid and alpha-linolenic acid, respectively, comparable with the proportions as present in 0.25 mature leaf equivalent surface waxes.A. cyaneaalso laid eggs on a filter paper moistened with 0.25 mature leaf equivalent surface waxes or a synthetic blend of 0.90, 1.86, 1.83, 1.95, 0.50 and 0.18 µg ml−1petroleum ether of hexadecane, octadecane, eicosane, tricosane, palmitic acid and alpha-linolenic acid, respectively. This finding could provide a basis for monitoring of the potential biocontrol agent in the field.