bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: REACTIONS OF ACETYLENES WITH TRANSITION METALS. VII. STERIC EFFECTS IN THE OLIGOMERIZATION OF DIARYLACETYLENES
Authors: STAICU S. , DINULESCU I. G. , CHIRALEU F. , AVRAM M.
Published: March 2016

Durch Behandeln des Salzes (I) mit verschiedenen aromatischen Kohlenwasserstoffen und nachfolgende photochemisch induzierte Decarbonylierung gelangt man über (III) zu den Acetylenen (IV).
ChemInform Abstract: SYNTHESIS AND REACTIVITY OF CATIONIC PENTACOORDINATE NITROSYL COMPLEXES
Authors: GHEDINI M. , DOLCETTI G. , GANDOLFI O. , GIOVANNITTI B.
Published: March 2016

Acetonitril‐Suspensionen der Jodokomplexe (I) reagieren mit stöchiometrischen Mengen AgPFÖ′ in Acetonitril zu den kationischen Titelkomplexen (II).
ChemInform Abstract: METALLOINTERCALATION REAGENTS. SYNTHESIS, CHARACTERIZATION, AND STRUCTURAL PROPERTIES OF THIOLATO(2,2′,2′′‐TERPYRIDINE)PLATINUM(II) COMPLEXES
Authors: JENNETTE K. W. , GILL J. T. , SADOWNICK J. A. , LIPPARD S. J.
Published: March 2016

Die Verbindung (Ia) wurde durch Reaktion von Chloro‐terpyridylplatin mit Ag‐nitrat in wässriger Lösung und Weiterreaktion des entstehenden Aquokomplexes mit 2‐Mercaptoäthanol als Nitrat erhalten.
ChemInform Abstract: SILYL PHOSPHITES. IV. A NEW METHOD FOR THE SYNTHESIS OF 5′‐AMINONUCLEOSIDES AND THEIR PHOSPHORAMIDATE DERIVATIVES
Authors: HATA T. , YAMAMOTO I. , SEKINE M.
Published: March 2016

Das Azid (I) wird zu (III) silyliert, das durch Reduktion mit Trimethylsilylphosphit in das Amin (V) übergeführt wird.
ChemInform Abstract: 6‐OXA ANALOGS OF PYRIMIDINES AND PYRIMIDINE NUCLEOSIDES. SYNTHESIS OF 5‐AMINO‐6H‐1,2,4‐OXADIAZIN‐3(2H)‐ONE, 2‐β‐D‐RIBOFURANOSYL‐6H‐1,2,4‐OXADIAZINE‐3,5(2H,4H)‐DIONE, AND RELATED DERIVATIVES
Authors: BERKOWITZ P. T. , ROBINS R. K. , DEA P. , LONG R. A.
Published: March 2016

Aus (I) entsteht der Bis‐trimethylsilyläther (II), der zu (III) aminiert und dann erneut zu (I) verseift werden kann.
ChemInform Abstract: INTRODUCTION OF AN AZIDE GROUP INTO SOME URIDINE DERIVATIVES VIA 2′,3′‐BENZOXONIUM AND 2′‐3′‐AZIDONIUM INTERMEDIATES
Authors: SASAKI T. , MINAMOTO K. , SUGIURA T. , NIWA M.
Published: March 2016

Aus dem Uracil (I) werden die Derivate (II) und (III) hergestellt.
Solution Structure and Constrained Molecular Dynamics Study of Vitamin B12 Conjugates of the Anorectic Peptide PYY(3–36)
Authors: Henry Kelly E. , Kerwood Deborah J. , Allis Damian G. , Workinger Jayme L. , Bonaccorso Ron L. , Holz George G. , Roth Christian L. , Zubieta Jon , Doyle Robert P.
Published: March 2016

Vitamin B12–peptide conjugates have considerable therapeutic potential through improved pharmacokinetic and/or pharmacodynamic properties imparted on the peptide upon covalent attachment to vitamin B12 (B12). There remains a lack of structural studies investigating the effects of B12 conjugation on peptide secondary structure. Determining the solution structure of a B12–peptide conjugate or conjugates and measuring functions of the conjugate(s) at the target peptide receptor may offer considerable insight concerning the future design of fully optimized conjugates. This methodology is especially useful in tandem with constrained molecular dynamics (MD) studies, such that predictions may be made about conjugates not yet synthesized. Focusing on two B12 conjugates of the anorectic peptide PYY(3–36), one of which was previously demonstrated to have improved food intake reduction compared with PYY(3–36), we performed NMR structural analyses and used the information to conduct MD simulations. The study provides rare structural insight into vitamin B12 conjugates and validates the fact that B12 can be conjugated to a peptide without markedly affecting peptide secondary structure.
Structure–Resistance Relationships: Interrogating Antiseptic Resistance in Bacteria with Multicationic Quaternary Ammonium Dyes
Authors: Forman Megan E. , Fletcher Madison H. , Jennings Megan C. , Duggan Stephanie M. , Minbiole Kevin P. C. , Wuest William M.
Published: March 2016

Bacterial resistance toward commonly used biocides is a widespread yet underappreciated problem, one which needs not only a deeper understanding of the mechanisms by which resistance proliferates, but also means for mitigation. To advance our understanding of this issue, we recognized a polyaromatic structural core analogous to activators of QacR, a negative transcriptional regulator of the efflux pump QacA, and envisioned a series of quaternary ammonium compounds (QACs) based on this motif. Using commercially available dye scaffolds, we synthesized and evaluated the antimicrobial activity of 52 novel QACs bearing 1–3 quaternary ammonium centers. Striking differences in antimicrobial activity against bacteria bearing QAC resistance genes have been observed, with up to a 125‐fold increase in minimum inhibitory concentration (MIC) for select structures against bacteria known to bear efflux pumps. Based on these findings, general trends in structure–resistance relationships have been identified, laying the groundwork for future mechanistic studies.
Tellurium‐Containing Polymers: Towards Biomaterials and Optoelectronic Materials
Authors: Wang Lu , Cao Wei , Xu Huaping
Published: March 2016

Tellurium‐containing polymers have become increasingly attractive owing to their unique properties as biomaterials and optoelectronic materials. The relatively large atomic size and low electronegativity of tellurium give it with many unique properties, such as coordination ability and redox sensitivity. The introduction of tellurium can endow materials with different responsiveness, which makes it possible for them to be employed as biomaterials. The narrow band gap of polytellurophene also allows its use in optoelectronic materials. In this focus review, we highlight a series of recent advances in tellurium‐containing polymers. First, tellurium‐containing amphiphilic block copolymers are summarized; these species can self‐assemble to form aggregates with coordination‐responsive and reactive oxygen species‐responsive properties. Then, we describe both tellurophene‐containing homopolymers and copolymers, including their synthesis, chemical properties, and applications in different optoelectronic devices. It is anticipated that tellurium‐containing polymers will have more applications in material science.
Ultrafine Au and Ag Nanoparticles Synthesized from Self‐Assembled Peptide Fibers and Their Excellent Catalytic Activity
Authors: Xu Wenlong , Hong Yue , Hu Yuanyuan , Hao Jingcheng , Song Aixin
Published: March 2016

The self‐assembly of an amphiphilic peptide molecule to form nanofibers facilitated by Ag+ ions was investigated. Ultrafine AgNPs (NPs=nanoparticles) with an average size of 1.67 nm were synthesized in situ along the fibers due to the weak reducibility of the ‐SH group on the peptide molecule. By adding NaBH4 to the peptide solution, ultrafine AgNPs and AuNPs were synthesized with an average size of 1.35 and 1.18 nm, respectively. The AuNPs, AgNPs, and AgNPs/nanofibers all exhibited excellent catalytic activity toward the reduction of 4‐nitrophenol, with turnover frequency (TOF) values of 720, 188, and 96 h−1, respectively. Three dyes were selected for catalytic degradation by the prepared nanoparticles and the nanoparticles showed selective catalysis activity toward the different dyes. It was a surprising discovery that the ultrafine AuNPs in this work had an extremely high catalytic activity toward methylene blue, with a reaction rate constant of 0.21 s−1 and a TOF value of 1899 h−1.
Crisis in complex social systems: A social theory view illustrated with the chilean case
Authors: Mascareño Aldo , Goles Eric , Ruz Gonzalo A.
Published: March 2016

The article argues that crises are a distinctive feature of complex social systems. A quest for connectivity of communication leads to increase systems' own robustness by constantly producing further connections. When some of these connections have been successful in recent operations, the system tends to reproduce the emergent pattern, thereby engaging in a non‐reflexive, repetitive escalation of more of the same communication. This compulsive growth of systemic communication in crisis processes, or logic of excess, resembles the dynamic of self‐organized criticality. Accordingly, we first construct the conceptual foundations of our approach. Second, we present three core assumptions related to the generative mechanism of social crises, their temporal transitions (incubation, contagion, restructuring), and the suitable modeling techniques to represent them. Third, we illustrate the conceptual approach with a percolation model of the crisis in Chilean education system. © 2016 Wiley Periodicals, Inc. Complexity 21: 13–23, 2016
Unprecedented Carbonato Intermediates in Cyclic Carbonate Synthesis Catalysed by Bimetallic Aluminium(Salen) Complexes
Authors: Castro‐Osma José A. , North Michael , Offermans Willem K. , Leitner Walter , Müller Thomas E.
Published: March 2016

The mechanism by which [Al(salen)]2O complexes catalyse the synthesis of cyclic carbonates from epoxides and carbon dioxide in the absence of a halide cocatalyst has been investigated. Density functional theory (DFT) studies, mass spectrometry and 1H NMR, 13C NMR and infrared spectroscopies provide evidence for the formation of an unprecedented carbonato bridged bimetallic aluminium complex which is shown to be a key intermediate for the halide‐free synthesis of cyclic carbonates from epoxides and carbon dioxide. Deuterated and enantiomerically‐pure epoxides were used to study the reaction pathway. Based on the experimental and theoretical results, a catalytic cycle is proposed.
Inside packet sampling techniques: exploring modularity to enhance network measurements
Authors: Silva João Marco C. , Carvalho Paulo , Lima Solange Rito
Published: March 2016

Traffic sampling is viewed as a prominent strategy contributing to lightweight and scalable network measurements. Although multiple sampling techniques have been proposed and used to assist network engineering tasks, these techniques tend to address a single measurement purpose, without detailing the network overhead and computational costs involved. The lack of a modular approach when defining the components of traffic sampling techniques also makes difficult their analysis. Providing a modular view of sampling techniques and classifying their characteristics is, therefore, an important step to enlarge the sampling scope, improve the efficiency of measurement systems, and sustain forthcoming research in the area. Thus, this paper defines a taxonomy of traffic sampling techniques resorting to a comprehensive analysis of the inner components of existing proposals. After identifying granularity, selection scheme, and selection trigger as the main components differentiating sampling proposals, the study goes deeper on characterizing these components, including insights into their computational weight. Following this taxonomy, a general‐purpose architecture is established to sustain the development of flexible sampling‐based measurement systems. Traveling inside packet sampling techniques, this paper contributes to a clearer positioning and comparison of existing proposals, providing a road map to assist further research and deployments in the area. Copyright © 2016 John Wiley & Sons, Ltd.
Landscape Perceptions and Social Evaluation of Heritage‐Building Processes
Authors: Rodríguez‐Darias Alberto , Santana‐Talavera Agustín , Díaz‐Rodríguez Pablo
Published: March 2016

According to the European Landscape Convention, landscapes are how populations perceive and identify their territory. The evaluation of these landscapes and their preservation processes depends on a complex interaction of economic, socio‐demographic and cultural variables. In this paper, we present the results of a quantitative and qualitative study on the influences that gender, place of birth, occupation, income, level of education and proximity of residence to a protected environmental area have on people's evaluation of the process to declare a national park on the island of Fuerteventura (Canary Islands). The results show that the degree and type of involvement with the territory are the most significant variables related to the evaluation of such a process. These variables are essential to consider when reaching agreements with different groups of stakeholders in ‘step zero’ of the declaration of a protected area. Copyright © 2016 John Wiley & Sons, Ltd and ERP Environment
The Species of Fehling's Solution
Authors: Hörner Thomas G. , Klüfers Peter
Published: March 2016

A species model for the copper(II)/L‐(+)‐tartaric acid (LH2, tartH2) aqueous system between pH 1.9 and 12.3 has been established by potentiometric, UV/Vis spectroscopic, solubility and crystallographic studies. Eight species were detected, including the oligonuclear major species Cu8L6H–10 in the neutral region and the mononuclear major species CuL2H–4 in the alkaline region, the latter being associated with Fehling's solution. The octanuclear complex was isolated as its lithium salt Li7[Cu8(L‐tartH–2)4(L‐tartH–1)2(H2O)6]NO3·19H2O (1). The “Fehling species” CuL2H–4 was crystallized as its sodium, potassium and caesium salts, namely K2Na4[Cu(L‐tartH–2)2]·12H2O (2), Na6[Cu(L‐tartH–2)2]·9H2O (3), Na6[Cu(L‐tartH–2)2]·14H2O (4), and Cs6[Cu(L‐tartH–2)2]·8H2O (5). Each of them shows a distorted square‐planar environment of copper(II), similar to the related non‐chiral cuprate [Cu(rac‐tartH–2‐κ2O2,O3)2]6– (S. Albrecht, P. Klüfers, Z. Anorg. Allg. Chem. 2013, 639, 280–284). By comparing the components of the UV/Vis spectra of Fehling's solution and the solids, we confirmed the identity of the major solution species.
Three‐Component Bicyclization Leading to Densely Functionalized Pyrazolo[3,4‐d]thiazolo[3,2‐a]pyrimidines
Authors: Hao Wen‐Juan , Zhou Peng , Wu Fei‐Yue , Jiang Bo , Tu Shu‐Jiang , Li Guigen
Published: March 2016

A three‐component bicyclization strategy for the efficient synthesis of densely functionalized pyrazolo[3,4‐d]thiazolo[3,2‐a]pyrimidines from readily accessible aryl aldehydes, α‐thiocyanate ketones, and pyrazol‐5‐amines was established. The reaction pathway involves a nucleophilic addition/5‐exo‐trig/6‐endo‐trig bicyclization sequence that results in continuous multiple bond‐forming events, including the formation of C–N and C–C bonds, to give high levels of molecular complexity.
Involvement of transient receptor potential A1 channel in algesic and analgesic actions of the organic compound limonene
Authors: Kaimoto T. , Hatakeyama Y. , Takahashi K. , Imagawa T. , Tominaga M. , Ohta T.
Published: March 2016

Background

TRPA1 is a Ca‐permeable nonselective cation channel expressed in sensory neurons and acts as a nocisensor. Recent reports show that some monoterpenes, a group of naturally occurring organic compounds, modulate TRP channel activity. Here, we report that limonene, being contained in citrus fruits and mushrooms, shows a unique bimodal action on TRPA1 channel.

Methods

We examine the effects of limonene on sensory neurons from wild‐type, TRPV1‐ and TRPA1‐gene‐deficient mice and on heterologously expressed channels in vitro. Molecular determinants were identified with using mutated channels. Cellular excitability is monitored with ratiometric Ca imaging. Nociceptive and analgesic actions of limonene are also examined in vivo.

Results

In wild‐type mouse sensory neurons, limonene increased the intracellular Ca2+ concentration ([Ca2+]i), which was inhibited by selective inhibitors of TRPA1 but not TRPV1. Limonene‐responsive neurons highly corresponded to TRPA1 agonist‐sensitive ones. Limonene failed to stimulate sensory neurons from the TRPA1 (−/−) mouse. Heterologously expressed mouse TRPA1 was activated by limonene. Intraplantar injection of limonene elicited acute pain, which was significantly less in TRPA1 (−/−) mice. Systemic administration of limonene reduced nociceptive behaviours evoked by H2O2. In both heterologously and endogenously expressed TRPA1, a low concentration of limonene significantly inhibited H2O2‐induced TRPA1 activation. TRPA1 activation by limonene was abolished in H2O2‐insensitive cysteine‐mutated channels.

Conclusions

Topically applied limonene stimulates TRPA1, resulting in elicitation of acute pain, but its systemic application inhibits nociception induced by oxidative stress. Because limonene is a safe compound, it may be utilized for pain control due to its inhibition of TRPA1 channels.

What does this study add: Limonene, a monoterpene in essential oils of various plants, has been known for its antitumor and anti‐inflammatory properties. However, molecular basis of their actions has not been identified. This study shows that limonene activates nociceptive TRPA1 and elicits acute pain, when it is topically applied. In addition, systemic application of limonene exerts inhibitory effects on nociception induced by an oxidative stress‐induced TRPA1 activation.
Nitrogen‐Doped Graphene Quantum Dot‐Decorated ZnO Nanorods for Improved Electrochemical Solar Energy Conversion
Authors: Majumder T. , Debnath K. , Dhar S. , Hmar J. J. L. , Mondal S. P.
Published: March 2016

Nitrogen‐doped graphene quantum dots (N‐GQDs) have been synthesized using a hydrothermal process. The N‐GQDs are highly crystalline with a size of 3–7 nm and made up of 1–3 layers of graphene. UV/Vis absorption studies reveal two major absorption peaks at 237 and 334 nm, which are attributed to the π→π* transition of C=C and n→π* transition of C=O bonds, respectively. The additional broad peak observed at 460–500 nm is attributed to the n→π* transition of C=N bonds. The N‐GQDs are highly luminescent and exhibit excitation‐dependent emission. The photoelectrochemical properties of pristine ZnO and N‐GQD‐sensitized ZnO nanorods have been investigated. N‐GQD‐sensitized nanorod photoanodes demonstrate superior photoconversion efficiency, incident photon‐to‐current conversion efficiency, and power conversion efficiency compared with pristine ZnO nanorods.
Assessing annual trends, monthly fluctuations and between‐station relationship of sulphate deposition in the Turkey Lakes Watershed
Authors: Zhu Rong , El‐Shaarawi Abdel H. , Duan Xingde , Wang Zilin , Ma Renjun
Published: March 2016

Water deposition of pollutants can be a good indicator of both air and water quality in a region of interest. In this paper, we study sulphate deposition change over time in a network of multiple monitoring stations in the Turkey Lakes Watershed in Sault Ste. Marie, Ontario, Canada. As there is generally substantial correlation among sulphate deposition observed over time and space, we incorporate temporally correlated multivariate random effects into Gamma regression models to account for the temporal dependence within each station and between‐station dependence in space. We applied our new approach to analyse monthly average sulphate depositions between 1983 and 2003. We found the observed increase of sulphate deposition between 1994 and 2003 was not significant, that is, annual trends in sulphate deposition had stabilized since 1994. Our analysis also quantified increasing sulphate deposition from upstream to downstream and its monthly fluctuations from higher in winter to lower in summer. Understanding of these sulphate deposition trends is of great policy relevance to environmental conservation. Copyright © 2016 John Wiley & Sons, Ltd.
Linking field-based metabolomics and chemical analyses to prioritize contaminants of emerging concern in the Great Lakes basin
Authors: Davis John M. , Ekman Drew R. , Teng Quincy , Ankley Gerald T. , Berninger Jason P. , Cavallin Jenna E. , Jensen Kathleen M. , Kahl Michael D. , Schroeder Anthony L. , Villeneuve Daniel L. , Jorgenson Zachary G. , Lee Kathy E. , Collette Timothy W.
Published: March 2016

The ability to focus on the most biologically relevant contaminants affecting aquatic ecosystems can be challenging because toxicity-assessment programs have not kept pace with the growing number of contaminants requiring testing. Because it has proven effective at assessing the biological impacts of potentially toxic contaminants, profiling of endogenous metabolites (metabolomics) may help screen out contaminants with a lower likelihood of eliciting biological impacts, thereby prioritizing the most biologically important contaminants. The authors present results from a study that utilized cage-deployed fathead minnows (Pimephales promelas) at 18 sites across the Great Lakes basin. They measured water temperature and contaminant concentrations in water samples (132 contaminants targeted, 86 detected) and used 1H-nuclear magnetic resonance spectroscopy to measure endogenous metabolites in polar extracts of livers. They used partial least-squares regression to compare relative abundances of endogenous metabolites with contaminant concentrations and temperature. The results indicated that profiles of endogenous polar metabolites covaried with at most 49 contaminants. The authors identified up to 52% of detected contaminants as not significantly covarying with changes in endogenous metabolites, suggesting they likely were not eliciting measurable impacts at these sites. This represents a first step in screening for the biological relevance of detected contaminants by shortening lists of contaminants potentially affecting these sites. Such information may allow risk assessors to prioritize contaminants and focus toxicity testing on the most biologically relevant contaminants. Environ Toxicol Chem 2016;35:2493–2502. Published 2016 Wiley Periodicals Inc. on behalf of SETAC. This article is a US Government work and, as such, is in the public domain in the United States of America.
Multi‐material closure model for high‐order finite element Lagrangian hydrodynamics
Authors: Dobrev V. A. , Kolev T. V. , Rieben R. N. , Tomov V. Z.
Published: March 2016

We present a new closure model for single fluid, multi‐material Lagrangian hydrodynamics and its application to high‐order finite element discretizations of these equations . The model is general with respect to the number of materials, dimension and space and time discretizations. Knowledge about exact material interfaces is not required. Material indicator functions are evolved by a closure computation at each quadrature point of mixed cells, which can be viewed as a high‐order variational generalization of the method of Tipton . This computation is defined by the notion of partial non‐instantaneous pressure equilibration, while the full pressure equilibration is achieved by both the closure model and the hydrodynamic motion. Exchange of internal energy between materials is derived through entropy considerations, that is, every material produces positive entropy, and the total entropy production is maximized in compression and minimized in expansion. Results are presented for standard one‐dimensional two‐material problems, followed by two‐dimensional and three‐dimensional multi‐material high‐velocity impact arbitrary Lagrangian–Eulerian calculations. Published 2016. This article is a U.S. Government work and is in the public domain in the USA.
Recommended European Society of Parenteral and Enteral Nutrition protein and energy intakes and weight loss in patients with head and neck cancer
Authors: Giles Kaitlin H. , Kubrak Catherine , Baracos Vickie E. , Olson Karin , Mazurak Vera C.
Published: March 2016

Background

Information regarding attenuation of weight loss in patients with head and neck cancer consuming energy and protein intakes at levels recommended by the European Society of Parenteral and Enteral Nutrition (ESPEN) is limited.

Methods

Newly diagnosed patients with head and neck cancer (n = 38) consuming food orally had weight and 3‐day diet records prospectively collected at baseline, the end of treatment, and at the 2.5‐month follow‐up. Weight loss of patients consuming the ESPEN recommendations of ≥30 kcal/kg/d energy and 1.2 g/kg/d protein versus those consuming less were compared. Weight loss of oral nutrition supplement consumers versus oral nutrition supplement nonconsumers was also compared.

Results

Despite ≥30 kcal/kg/d intakes at posttreatment and follow‐up, mean weight loss was 10.3% from baseline to posttreatment, and 4.0% from posttreatment to follow‐up. At posttreatment, oral nutrition supplement consumers with intakes ≥30 kcal/kg/d lost twice as much weight as nonconsumers with intakes of ≥30 kcal/kg/d (p = .001).

Conclusion

Current ESPEN recommendations may not attenuate weight loss in patients with head and neck cancer, especially those consuming oral nutrition supplements. © 2016 Wiley Periodicals, Inc. Head Neck 38:1248–1257, 2016
Highly Polar Triterpenoid Saponins from the Roots of Saponaria officinalis L.
Authors: Moniuszko‐Szajwaj Barbara , Masullo Milena , Kowalczyk Mariusz , Pecio Łukasz , Szumacher‐Strabel Małgorzata , Cieślak Adam , Piacente Sonia , Oleszek Wiesław , Stochmal Anna
Published: March 2016

Five new triterpenoid saponins, including 3‐O‐β‐d‐galactopyranosyl‐(1→2)‐[β‐d‐xylopyranosyl‐(1→3)]‐β‐d‐glucuronopyranosyl quillaic acid 28‐O‐β‐d‐glucopyranosyl‐(1→3)‐β‐d‐xylopyranosyl‐(1→4)‐α‐l‐rhamnopyranosyl‐(1→2)‐[β‐d‐xylopyranosyl‐(1→3)‐(4‐O‐acetyl)‐β‐d‐quinovopyranosyl‐(1→4)]‐β‐d‐fucopyranoside (1), 3‐O‐β‐d‐galactopyranosyl‐(1→2)‐[β‐d‐xylopyranosyl‐(1→3)]‐β‐d‐glucuronopyranosyl quillaic acid 28‐O‐(6‐O‐acetyl)‐β‐d‐glucopyranosyl‐(1→3)‐[β‐d‐xylopyranosyl‐(1→4)]‐α‐l‐rhamnopyranosyl‐(1→2)‐[β‐d‐xylopyranosyl‐(1→3)‐(4‐O‐acetyl)‐β‐d‐quinovopyranosyl‐(1→4)]‐β‐d‐fucopyranoside (2), 3‐O‐β‐d‐galactopyranosyl‐(1→2)‐[β‐d‐xylopyranosyl‐(1→3)]‐β‐d‐glucuronopyranosyl quillaic acid 28‐O‐β‐d‐xylopyranosyl‐(1→4)‐α‐l‐rhamnopyranosyl‐(1→2)‐[β‐d‐xylopyranosyl‐(1→3)‐(4‐O‐acetyl)‐β‐d‐quinovopyranosyl‐(1→4)]‐β‐d‐fucopyranoside (3), 3‐O‐β‐d‐galactopyranosyl‐(1→2)‐[β‐d‐xylopyranosyl‐(1→3)]‐β‐d‐glucuronopyranosyl quillaic acid 28‐O‐β‐d‐glucopyranosyl‐(1→3)‐β‐d‐xylopyranosyl‐(1→4)‐α‐l‐rhamnopyranosyl‐(1→2)‐[(4‐O‐acetyl)‐β‐d‐quinovopyranosyl‐(1→4)]‐β‐d‐fucopyranoside (4), 3‐O‐β‐d‐galactopyranosyl‐(1→2)‐[β‐d‐xylopyranosyl‐(1→3)]‐β‐d‐glucuronopyranosyl quillaic acid 28‐O‐(6‐O‐acetyl)‐β‐d‐glucopyranosyl‐(1→3)‐[β‐d‐xylopyranosyl‐(1→4)]‐α‐l‐rhamnopyranosyl‐(1→2)‐[(4‐O‐acetyl)‐β‐d‐quinovopyranosyl‐(1→4)]‐β‐d‐fucopyranoside (5) together with two known congeners, saponariosides A (6) and B (7) were isolated from the roots of Saponaria officinalis L. Their structures were elucidated by extensive spectroscopic methods, including 1D‐ (1H, 13C) and 2D‐NMR (DQF‐COSY, TOCSY, HSQC, and HMBC) experiments, HR‐ESI‐MS, and acid hydrolysis.
Mephedrone and 3,4‐Methylenedioxypyrovalerone (MDPV): Synthetic Cathinones With Serious Health Implications
Authors: White C. Michael
Published: March 2016

This article presents information on the predominant synthetic cathinones used in the Western world, mephedrone and methylenedioxypyrovalerone (MDPV). Synthetic cathinones are commonly used drugs of abuse in the United States and Europe, with numerous cases of patient harm and death. Patients exhibit many neurological, cardiovascular, and muscular adverse events and frequently require therapy to control psychotic or agitated states and acute kidney injury resulting from myopathy or rhabdomyolysis. There are potential genetic polymorphisms and drug interactions that might accentuate risk, but there are no studies evaluating to what extent this occurs or if it is clinically relevant. Clinicians should be aware of the known pharmacology, pharmacokinetics, and reports of effects to detect potential issues and treat patients presenting with these adverse effects.
Parameters Tied to Treewidth
Authors: Harvey Daniel J. , Wood David R.
Published: March 2016

Treewidth is a graph parameter of fundamental importance to algorithmic and structural graph theory. This article surveys several graph parameters tied to treewidth, including separation number, tangle number, well‐linked number, and Cartesian tree product number. We review many results in the literature showing these parameters are tied to treewidth. In a number of cases we also improve known bounds, provide simpler proofs, and show that the inequalities presented are tight.
Cell wall chemical characteristics of whole‐crop cereal silages harvested at three maturity stages
Authors: Wallsten Johanna , Hatfield Ronald
Published: March 2016

Background

In cooler climates such as found in Scandinavian countries cereals are important feedstuffs for ruminants often ensiled as whole‐crop cereal silages (WCCS) to preserve nutrients. Animal performance varies with the type of cereal forage and stage of cereal development being ensiled. Cell wall isolation and analysis was undertaken to determine differences among cereal silages harvested at different stages of maturity.

Results

A set of 27 WCCS samples of barley, wheat and oats harvested at heading, early milk, and dough stages of maturity were analyzed for cell wall (CW) composition and compared to previous NDF analyses. Total CW concentrations of the WCCS were higher than the NDF concentration. The lignin concentration was higher (P < 0.001) in oats (111 g kg−1 DM) than in barley (88 g kg−1 DM) and wheat (91 g kg−1 DM). Ferulates (ester and ether linked) ranged from 12.2 to 14.9 g kg−1 across forage types and maturity stages. The correlation between total cell wall xylose and HC concentrations (NDF‐ADF) was lower than expected in all forages (R = 0.63).

Conclusion

The more comprehensive analyses of cell walls provide detailed composition of the different WCCS that vary due to the maturity and type of cereal. © 2016 The Authors. Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Electrospun nanofibres in agriculture and the food industry: a review
Authors: Noruzi Masumeh
Published: March 2016

The interesting characteristics of electrospun nanofibres, such as high surface‐to‐volume ratio, nanoporosity, and high safety, make them suitable candidates for use in a variety of applications. In the recent decade, electrospun nanofibres have been applied to different potential fields such as filtration, wound dressing, drug delivery, etc. and a significant number of review papers have been published in these fields. However, the use of electrospun nanofibres in agriculture is comparatively novel and is still in its infancy. In this paper, the specific applications of electrospun nanofibres in agriculture and food science, including plant protection using pheromone‐loaded nanofibres, plant protection using encapsulation of biocontrol agents, preparation of protective clothes for farm workers, encapsulation of agrochemical materials, deoxyribonucleic acid extraction in agricultural research studies, pre‐concentration and measurement of pesticides in crops and environmental samples, preparation of nanobiosensors for pesticide detection, encapsulation of food materials, fabrication of food packaging materials, and filtration of beverage products are reviewed and discussed. This paper may help researchers develop the use of electrospun nanofibres in agriculture and food science to address some serious problems such as the intensive use of pesticides. © 2016 Society of Chemical Industry
Longterm results of liver transplantation from donation after circulatory death
Authors: Blok Joris J. , Detry Olivier , Putter Hein , Rogiers Xavier , Porte Robert J. , van Hoek Bart , Pirenne Jacques , Metselaar Herold J. , Lerut Jan P. , Ysebaert Dirk K. , Lucidi Valerio , Troisi Roberto I. , Samuel Undine , den Dulk A. Claire , Ringers Jan , Braat Andries E. ,   for the Eurotransplant Liver Intestine Advisory Committee
Published: March 2016

Donation after circulatory death (DCD) liver transplantation (LT) may imply a risk for decreased graft survival, caused by posttransplantation complications such as primary nonfunction or ischemic‐type biliary lesions. However, similar survival rates for DCD and donation after brain death (DBD) LT have been reported. The objective of this study is to determine the longterm outcome of DCD LT in the Eurotransplant region corrected for the Eurotransplant donor risk index (ET‐DRI). Transplants performed in Belgium and the Netherlands (January 1, 2003 to December 31, 2007) in adult recipients were included. Graft failure was defined as either the date of recipient death or retransplantation whichever occurred first (death‐uncensored graft survival). Mean follow‐up was 7.2 years. In total, 126 DCD and 1264 DBD LTs were performed. Kaplan‐Meier survival analyses showed different graft survival for DBD and DCD at 1 year (77.7% versus 74.8%, respectively; P = 0.71), 5 years (65.6% versus 54.4%, respectively; P = 0.02), and 10 years (47.3% versus 44.2%, respectively; P = 0.55; log‐rank P = 0.038). Although there was an overall significant difference, the survival curves almost reach each other after 10 years, which is most likely caused by other risk factors being less in DCD livers. Patient survival was not significantly different (P = 0.59). Multivariate Cox regression analysis showed a hazard ratio of 1.7 (P < 0.001) for DCD (corrected for ET‐DRI and recipient factors). First warm ischemia time (WIT), which is the time from the end of circulation until aortic cold perfusion, over 25 minutes was associated with a lower graft survival in univariate analysis of all DCD transplants (P = 0.002). In conclusion, DCD LT has an increased risk for diminished graft survival compared to DBD. There was no significant difference in patient survival. DCD allografts with a first WIT > 25 minutes have an increased risk for a decrease in graft survival. Liver Transplantation 22 1107–1114 2016 AASLD
Synthesis of Bismuth Telluride Thin Film for Thermoelectric Application Via Electrodeposition Technique
Authors: Patil Pallavi B. , Mali Sawanta S. , Khot Kishorkumar V. , Kondalkar Vijay V. , Ghanwat Vishvanath B. , Mane Rahul M. , Kharade Rohini R. , Bhosale Popatrao N.
Published: March 2016

Nanocrystalline Bismuth Telluride (Bi2Te3) thin film was electrodeposited potentiostatically at room temperature from acidic bath. In order to study their structural, morphological properties and compositional analysis of as synthesized thin film were systematically examined by X‐ray diffraction (XRD), scanning electron microscopy (SEM) and and energy dispersive spectroscopy (EDS). The crystallographic characterization of Bi2Te3 thin film was carried out using XRD and main diffraction peak at (015) plane of the Bi2Te3 confirmed that the formation of rhombohedral crystal structure. Rapid development in thermoelectric material due to directly converting thermal energy to electric energy. The thermoelectric performance of Bi2Te3 thin film was assessed with the result of electrical resistivity and Seebeck coefficient parameters. In addition, such well adherent Bi2Te3 thin film with improved Seebeck coefficient and electrical conductivity which is helpful for development of efficient materials for thermoelectric application. In order to study the thermoelectric performance of Bi2Te3 it is prepared by potentiostatic electrodeposition.
Synthesis and Characterization of 3,4‐Dihydropyrimidine‐2(1H)‐One (DHPM) Derivatives Doped Acrylic Polymers for Thin Film Coatings
Authors: Walekar Balaji , Mane Ramaraje , Nadaf Sameer , Valekar Navanath , Bhosale Popatrao , Mane Sambhaji
Published: March 2016

The objective of present research work is synthesis and characterization of N‐heterocyclic compounds by using Silver metal nanoparticles and their copolymerization with acrylic polymers such as Butyl acrylate (BA) and Methyl methacrylate (MMA) monomers by emulsion process. In this research work we have synthesized different 3,4‐Dihydropyrimidine‐2(1H)‐one (DHPM) derivatives. These synthesized N‐heterocyclic derivatives were characterized by FT‐IR, and 1H NMR spectral studies. A core shell copolymers of acrylics (BA & MMA) is prepared by seed emulsion technique. The different preparative parameters have been optimized in order to get good quality thin films of DHPM doped in acrylic polymer material. Scanning electron microscopy (SEM) for samples reveals that spherical grains are uniformly distributed over the surface of the substrate indicates the well‐defined growth of DHPM doped in acrylic (BA‐Co‐MMA) polymers. The effect of N‐heterocyclic compound concentrations on the water absorption ratio is also examined. The synthesized DHPM doped acrylic polymers were characterized by FT‐IR spectral study. From FT‐IR spectral study it is revealed that there is attachment of N‐heterocyclic compounds with acrylic polymers. DHPM doped acrylic polymer (BA‐Co‐MMA) has been used for preparing thin film coatings on glass substrate materials. From the calculations of water resistance strength, it is found that 3,4‐Dihydropyrimidine‐2(1H)‐one (DHPM) doped acrylic polymer thin films shows more water resistance strength than pure acrylic polymer (BA‐Co‐MMA) thin films. Hence 3,4‐dihydropyrimidine‐2(1H)‐one (DHPM) doped acrylic polymer thin film coatings are used on glass substrate for increasing strength, durability and transparency of glass surface.
Investigation on Impact Behavior of Rice Husk Impregnated Coir‐Vinyl Ester Composites
Authors: Ramprasath R. , Jayabal S. , Sundaram S. Kalyana , Bharathiraja G. , Munde Yashwant S.
Published: March 2016

The use of natural fibers and bio‐particles as reinforcement in polymeric composites is gaining keen interest in the field of cellulose based composite materials, due to its attractive properties such as light weight, low cost and biodegradability etc. Several studies in the past have reported major improvement in the mechanical behaviors of fiber reinforced polymer composites by impregnating bio‐particulate with the matrix system. This investigation is aimed at introducing a hybrid reinforcement based polymer composites which uses rice husk as bio‐particles and green husk coir as fibrous reinforcement. The composite sheets were fabricated as per full factorial design of experimental plan by varying the fabrication parameters namely fiber length, fiber content and particulate content. The effects of fabrication parameters on the impact properties of the composites were analyzed and favorable conditions to yield better impact strength were determined. The X‐ray diffraction and Scanning electron microscopy techniques were used to characterize the bindability of rice husk and coir fibers in the resin system. A major improvement in the impact properties was inferred on impregnating rice husk bio‐particles in coir‐vinyl ester composites.
The Degradation Kinetics of EVA‐Clay Nanocomposites
Authors: Griffin G. J. , Pannirselvam M. , Martin B.
Published: March 2016

The influence of organoclay content on the thermal degradation kinetics of EVA‐clay nanocomposites was studied using thermal gravimetric analysis (TGA) coupled with Fourier transfer infrared (FTIR) spectroscopy. The mass ratio of vinyl acetate (VA) to ethylene (E) was varied between 9:91 and 28:72 and the clay loading between 2.5 and 7.5 wt%. Samples were heated under an inert atmosphere up to 700°C, at which point all organic components were volatized. The mass loss curves revealed two‐stage mass‐loss events; the first due to scission of the acetate functional group and the second due to the break‐down of the carbon backbone. The presence of organoclay in the polymer resulted in initiation of the mass‐loss events at lower temperatures. This was more pronounced for the first mass‐loss event. Kinetic analysis of the mass‐loss events was conducted using the method of invariant kinetic parameters (MIKP). These showed that the latter mass loss curve was more likely to fit a diffusion based kinetic model when nano‐clay was present possibly indicating the influence of a char layer on the degradation processes. The effects of the presence of nanoclay on the kinetic parameters of the mass‐loss events are reported.
Sonochemical Synthesis of PMMA/Cloisite 30B Nanocomposites: A Mechanistic Investigation
Authors: Poddar Maneesh Kumar , Sharma Sachin , Moholkar Vijayanand S.
Published: March 2016

This study attempts to gain mechanistic insight into the influence of ultrasound and cavitation in synthesis of polymethyl methacrylate (PMMA) and its nanocomposite using the organo‐modified Cloisite 30B clay. A statistical design of experiments (Central Composite Design with Response Surface Methodology) has been used to find optimum values of quantities of monomer (15 g), initiator (0.75 g) and surfactant (0.87 g) in the synthesis of neat PMMA in 60 mL of total reaction volume. Using these optimized values, the nanocomposites have been synthesized using varying concentrations of clay. Characterization of the nanocomposites was done with standard techniques of XRD, FTIR, DSC, TGA, particle size analysis, zeta potential, SEM and TEM. The nanocomposites have been revealed to have better thermal properties (maximum degradation temperature of 277°C at T5% and glass transition temperature of 120°C at 2% clay loading) as compared to neat PMMA. The results have been explained on the basis of basic physical and chemical principles of ultrasound and cavitation. The physical effect of ultrasound and cavitation of generation of intense microturbulence in the system has been revealed to play major role in the process rather than the chemical effect of generation of radicals.
Malignant Subthalamic Nucleus‐Deep Brain Stimulation Withdrawal Syndrome in Parkinson's Disease
Authors: Rajan Roopa , Krishnan Syam , Kesavapisharady Krishna Kumar , Kishore Asha
Published: March 2016

Abrupt cessation of STN‐DBS is an under‐recognized cause of life‐threatening akinetic crisis in Parkinson's disease (PD) and can present as a movement disorder emergency. We report on 2 patients who survived severe and prolonged akinetic crisis after abrupt cessation of STN stimulation for PD (malignant STN‐DBS withdrawal syndrome). We discuss the clinical similarities and possible differences in pathophysiology from the akinetic crisis in medically‐treated PD. Although early implantable pulse generator (IPG) replacement is the definitive treatment, medical and economic considerations may preclude early surgery and strategies for medical management assume importance. We reflect upon the socioeconomic concerns surrounding DBS in countries lacking health care coverage and the need for user‐independent monitors and indicators of low IPG battery status.
Convection‐permitting models: a step‐change in rainfall forecasting
Authors: Clark Peter , Roberts Nigel , Lean Humphrey , Ballard Susan P. , Charlton‐Perez Cristina
Published: March 2016

Convection‐permitting models (CPMs) have provided weather forecasting centres with a step‐change in capabilities for forecasting rainfall. They are now used operationally to forecast precipitation in many parts of the world, including the UK. CPMs are models in which the dynamics of atmospheric convection is treated with sufficient accuracy in order to make it viable to switch off convection parametrization. This review describes the current state‐of‐the‐art in operational CPM‐based numerical weather prediction (NWP), primarily within the UK, and the historical development of CPMs. The characteristics of CPM systems and forecasts are highlighted and placed in an international context to recognize similar trends and highlight some differences. It is shown that the realism of CPM‐based forecasts can provide improved subjective guidance on convection, and, when measured on appropriate scales, can improve rainfall forecasting skill compared to coarser‐resolution NWP. Data assimilation techniques used with operational CPMs are reviewed and given historical context. Examples of new types of observations that may increase the skill of forecasts from improved initial conditions are discussed. CPM‐based nowcasting systems are shown to provide considerable improvements in short‐range forecasts of rapidly developing, intense systems. As a result, these CPM‐based systems provide a new forecasting capability. Finally, the development of CPMs has also required new techniques to verify forecasts and define their skill. These have revealed that the lack of predictability of the smallest scales involving convection means that ensemble techniques are required to represent forecast uncertainty, resulting in a new capability to provide objective forecast probabilities of local precipitation.
Level product form QSF processes and an analysis of queues with Coxian interarrival distribution
Authors: Ertiningsih Dwi , Katehakis Michael N. , Smit Laurens C. , Spieksma Flora M.
Published: March 2016

In this article, we study a class of Quasi‐Skipfree (QSF) processes where the transition rate submatrices in the skipfree direction have a column times row structure. Under homogeneity and irreducibility assumptions we show that the stationary distributions of these processes have a product form as a function of the level. For an application, we will discuss the
‐queue that can be modeled as a QSF process on a two‐dimensional state space. In addition, we study the properties of the stationary distribution and derive monotonicity of the mean number of the customers in the queue, their mean sojourn time and the variance as a function of for fixed mean arrival rate. © 2016 Wiley Periodicals, Inc. Naval Research Logisticsxs 66:57–72, 2019
The Philanthropic Consequence of Government Grants to Nonprofit Organizations
Authors: Lu Jiahuan
Published: March 2016

Do government grants displace or leverage private donations to nonprofit organizations? Although research on this topic is flourishing, the findings remain extremely contradictory, creating difficulty in developing a cumulative knowledge available to scholars and practitioners. This study employs a meta‐analysis to systematically synthesize the competing findings from the existing literature. Using a sample of sixty original studies with 637 effect sizes, this study finds government grants have almost no correlation with private donations. In addition, this study demonstrates, through meta‐regression, that nonprofit subsector variation, organizational age as a control, longitudinal data structure, and endogeneity correction help explain the effect size heterogeneity within and across original studies. Nonprofits should be more concerned about the capacity of competing for different funding sources rather than the tradeoff among them.
The Effect of Breakfast in the Classroom on Obesity and Academic Performance: Evidence from New York City
Authors: Corcoran Sean P. , Elbel Brian , Schwartz Amy Ellen
Published: March 2016

Participation in the federally subsidized school breakfast program often falls well below its lunchtime counterpart. To increase take‐up, many districts have implemented Breakfast in the Classroom (BIC), offering breakfast directly to students at the start of the school day. Beyond increasing participation, advocates claim BIC improves academic performance, attendance, and engagement. Others caution BIC has deleterious effects on child weight. We use the implementation of BIC in New York City (NYC) to estimate its impact on meals program participation, body mass index (BMI), achievement, and attendance. While we find large effects on participation, our findings provide no evidence of hoped‐for gains in academic performance, or of feared increases in obesity. The policy case for BIC will depend upon reductions in hunger and food insecurity for disadvantaged children, or its longer‐term effects.