bluuebunny/crossref_metadata_2025 huggingface dataset:
Antibacterial Activities and Nuclease Properties of Two New Ternary Copper(II) Complexes with 2‐(4′‐Thiazolyl)‐benzimidazole and 2,2′‐Bipyridine/1,10‐phenanthroline
Authors: Ren Xiangxiang , Chen Jiayang , Le Xueyi
Published: July 2011

Two new complexes: [Cu(TBZ)(bipy)Cl]Cl·H2O (1) and [Cu(TBZ)(phen)Cl]Cl·H2O (2) [TBZ=2‐(4′‐thiazolyl)‐ benzimidazole, phen=1,10‐phenanthroline and bipy=2,2′‐bipyridine] have been synthesized and characterized by elemental analysis, molar conductivity, IR, and UV‐vis methods. Complex 2, structurally characterized by single‐crystal X‐ray crystallography, crystallizes in the monoclinic space group P21/c in a unit cell of a=0.85257(12) nm, b=2.5358(4) nm, c=1.15151(13) nm, β=118.721(8)°, V=2.183.2(5) nm3, Z=4, Dc=1.624 g·cm−3, µ=1.367 mm−1. The complexes, free ligands and chloride copper(II) salt were each tested for their ability to inhibit the growth of two gram‐positive (B. subtilis and S. aureus) and two gram‐negative (Salmonella and E. coli) bacteria. The complexes showed good antibacterial activities against the microorganisms. The interaction between the complexes and calf thymus DNA in aqueous solution was investigated adopting electronic absorption spectroscopy, fluorescence spectroscopy, viscosity measurements and cyclic voltammetry. Results suggest that the two complexes can bind to DNA by intercalative mode. In addition, the result of agarose gel electrophoresis suggested that the complexes can cleave the plasmid DNA at physiological pH and room temperature. Mechanistic studies with different inhibiting reagents reveal that hydroxyl radicals, and a singlet oxygen‐like copper‐oxo species are all involved in the DNA scission process mediated by the complexes.
A Green Method for Recycling 2‐Propanol from Water during Purification Process of Aqueous Nanocrystals
Authors: Wang Chunlei , Xu Shuhong , Cui Yiping
Published: July 2011

During traditional 2‐propanol‐based purification of aqueous nanocrystals (NCs), it is very difficult to recycle 2‐propanol from the aqueous solution, which brings great consumption of 2‐propanol during the purification process. A major contribution of this work is to provide a simple way to reduce the consumption via recycling of 2‐propanol during the purification process. The recycled 2‐propanol is available for precipitating NCs from aqueous solution in a new round of NC purification process. Due to the recycling of 2‐propanol, the great consumption of 2‐propanol can be avoided, which makes the purification process of aqueous NCs much greener and at a much lower cost.
Characterization and Catalytic Activity of New Metal‐organic Frameworks Resulted from Self‐assembly of Ph3SnCl, K[Cu(CN)2] and Nitrogen Donor Ligands
Authors: Etaiw Safaa El‐din H. , Elsherbiny Abeer S. , Badr El‐din Ahmed S.
Published: July 2011

Five new metal‐organic frameworks (MOFs) of the general composition [Ph3SnCu(CN)2·L], where L=pyrazine (pyz) (1), methylpyrazine (mepyz) (2), 4,4′‐bipyridine (bpy) (3), trans‐1,2‐bis(4‐pyridyl)ethene (tbpe) (4) or 1,2‐bis(4‐pyridyl)ethane (bpe) (5), have been synthesized and characterized to test their potential applications as catalysts. The structures of the MOFs 1–5 mainly consist of Cu(CN)2 building blocks connected by the Ph3Sn cations and the bipodal ligand forming polymeric networks. They exhibit strong fluorescence in the solid state. Also, they are used as heterogeneous catalysts for the degradation of azo‐dyes, metanil yellow (MY) by diluted solution of hydrogen peroxide as oxidant. The reaction is first order with respect to MY dye, while the factors affecting the rate constant of the degradation reaction are investigated. The activation parameters of the reaction have been estimated and a possible mechanism has been proposed.
Silica‐bonded S‐sulfonic Acid as a Recyclable Catalyst for Synthesis of 2,3‐Dihydroquinazolin‐4(1H)‐ones
Authors: Niknam Khodabakhsh , Mohammadizadeh Mohammad Reza , Mirzaee Salimeh
Published: July 2011

2,3‐Dihydroquinazolin‐4(1H)‐one derivatives were synthesized via a one‐pot, three component reaction of isatoic anhydride and an aromatic aldehyde with ammonium acetate or primary amine catalyzed by silica‐bonded S‐sulfonic acid in ethanol at 80°C. The reaction work‐up is simple and the catalyst is easily separated from the products by filtration. The heterogeneous catalyst was recycled for ten runs upon the condensation reaction of isatoic anhydride and 4‐chlorobenzaldehyde with ammonium acetate without losing its catalytic activity.
Investigation into the Regiochemistry of 1,3‐Dipolar Cycloaddition of C,N‐Diphenyl Nitrone with Some Vinyl Sulfoximines as Dipolarophile: Theoretical Studies
Authors: Moeinpour Farid
Published: July 2011

The regiochemistry of 1,3‐dipolar cycloaddition reactions of C,N‐diphenyl nitrone with some vinyl sulfox‐ imines as dipolarophile was investigated using density functional theory (DFT)‐based reactivity indexes and activation energy calculations at B3LYP/6‐31G(d) level of theory. Analysis of the geometries and bond orders (BOs) at the TS structures associated with the different reaction pathways shows that these 1,3‐dipolar cycloaddition reactions occur via an asynchronous concerted mechanism. Analysis of the local electrophilicity and nucleophilicity indexes permits an interpretation about the regioselectivity of these 1,3‐dipolar cycloaddition reactions. The theoretical results obtained in the work clearly predict the regiochemistry of the isolated cycloadducts and agree to experimental outcomes.
Novel Synthesis of Some Phthalazinone Derivatives
Authors: Mahmoud Mahmoud R. , Abou‐Elmagd Wael S.I. , Derbala Hamed A. , Hekal Mohamed H.
Published: July 2011

Dimethyl homophthalate condensed with isatin to give the unexpected five membered lactone 3 rather than the half ester 1 and the δ‐lactone2. Treatment of compound 3 with excess hydrazine hydrate afforded phthalazinone carbohydrazide 4 which represents a novel method for the synthesis of phthalazinone derivatives. The carbohydrazide 4 upon treatment with carbon disulphide afforded 1,3,4‐oxadiazole derivative 5, which reacted with ethylchloroacetate to give the S‐alkylated product 6. The structure of compound 3 compared with 2 was discussed using hyperchem professional (7) AM1 calculations, X‐ray single crystal structure and complete spectral data.
Synthesis and Characterization of Sulfonated Polyimides Containing Trifluoromethyl Groups as Proton Exchange Membranes
Authors: Zhang Qingshuang , Li Qiaoling
Published: July 2011

A novel sulfonated diamine, 4,4′‐bis(4‐amino‐3‐trifluoromethylphenoxy) biphenyl 3,3′‐disulfonic acid (F‐BAPBDS), was successfully synthesized by nucleophilic aromatic substitution of 4,4′‐dihydroxybiphenyl with 2‐chloro‐5‐nitrobenzotrifluoride, followed by reduction and sulfonation. A series of sulfonated polyimides of high molecular weight (SPI‐x, x represents the molar percentage of the sulfonated monomer) were prepared by copolymerization of 1,4,5,8‐naphathlenetetracarboxylic dianhydride (NTDA) with F‐BAPBDS and nonsulfonated diamine. Flexible and tough membranes of high mechanical strength were obtained by solution casting and the electrolyte properties of the polymers were intensively investigated. The copolymer membranes exhibited excellent oxidative stability due to the introducing of the CF3 groups. The SPI membranes displayed desirable proton conductivity (0.52×10−1–0.97×10−1 S·cm−1) and low methanol permeability (less than 2.8×10−7 cm2·s−1). The highest proton conductivity (1.89×10−1 S·cm−1) was obtained for the SPI‐90 membrane at 80°C, with an IEC of 2.12 mequiv/g. This value is higher than that of Nafion 117 (1.7×10−1 S·cm−1). Furthermore, the hydrolytic stability of the obtained SPIs is better than the BDSA and ODADS based SPIs due to the hydrophobic CF3 groups which protect the imide ring from being attacked by water molecules, in spite of its strong electron‐withdrawing behaviors.
Synthesis of Chiral 2‐Aroyl‐1‐tetralols: Asymmetric Transfer Hydrgenation of 2‐Aroyl‐1‐tetralones via Dynamic Kinetic Resolution
Authors: Wu Yun , Geng Zhicong , Bai Jinjin , Zhang Yawen
Published: July 2011

The dynamic kinetic resolution of 2‐aroyl‐1‐tetralones was achieved via asymmetric transfer hydrogenation using (S,S)‐RuCl(p‐cymene)TsDPEN (TsDPEN=N‐(tosyl)‐1,2‐diphenylethylenediamine) in formic acid/triethyl‐ amine (5:2, molar ratio), afforded the desired products in good yields (up to 85%) with diastereomeric ratio up to >99:1 and high enantiomeric excesses (up to >99%). The absolute configuration of major the product was confirmed by X‐ray crystal structure analysis.
Preparation and Reactions of 2‐Methyl‐7‐(3‐methyl‐5‐oxo‐1‐phenyl‐2‐pyrazolin‐4‐yl)‐5‐arylthiazolo[3,2‐a]‐pyrimido[4,5‐d]oxazin‐4(5H)‐one
Authors: Youssef Mohamed Salah K. , Abbady Mohamed S. , Ahmed Ragaa A. , Omar Ahmed A.
Published: July 2011

Ethyl 7‐amino‐3‐(3‐methyl‐5‐oxo‐1‐phenyl‐2‐pyrazolin‐4‐yl)‐5‐aryl‐5H‐thiazolo[3,2‐a]pyrimidine‐6‐carboxylate was hydrolyzed with an ethanolic sodium hydroxide and the sodium salt thus formed underwent cyclization with acetic anhydride to afford 2‐methyl‐7‐(3‐methyl‐5‐oxo‐1‐phenyl‐2‐pyrazolin‐4‐yl)‐5‐arylthiazolo[3,2‐a]pyrimido[4,5‐d]oxazin‐4(5H)‐one. This compound was transformed to related heterocyclic systems via its reaction with various reagents. The biological activity of the prepared compounds was tested against Gram positive and Gram negative bacteria as well as yeast‐like and filamentous fungi. They revealed in some cases excellent biocidal properties.
Isosteviol‐amino Acid Conjugates as Highly Efficient Organocatalysts for the Asymmetric One‐pot Three‐component Mannich Reactions
Authors: An Yajie , Qin Qian , Wang Chuanchuan , Tao Jingchao
Published: July 2011

Isosteviol‐amino acid conjugates were synthesized and used as chiral catalysts for the asymmetric three‐component Mannich reaction with hydroxyacetone as donor molecule. Good yields (up to 98%) and excellent stereoselectivities (up to 97:3 dr and 99% ee) were achieved in a short reaction time. In addition, syn‐ or anti‐configurations of α‐hydroxy‐β‐amino carbonyl compounds were obtained as main products with different chiral catalysts.
Proteomics‐based Characterization of Protein Complexes from Human Pancreatic Cancer Cell Line
Authors: Wang Xinli , Chen Guoqiang , Zhao Zhiyun , Wang Xiaodong , Li Zhili
Published: July 2011

To develop an economical and feasible approach to probe protein complexes, differential centrifugation and three‐dimensional polyacrylamide gel electrophoresis (PAGE) were performed to separate protein complexes from the cell lysate of human pancreatic cancer cell line, SW1990, followed by mass spectrometric identification. Four macromolecular protein complexes were separated and identified unambiguously.
A Practical Method to Stereospecifically Synthesize trans‐Stilbene Derivatives
Authors: Jian Yujuan , Sun Gaojun , Li Jiaming , Su Dan , Li Chuanrun , Zhong Guochen
Published: July 2011

A practical method to stereospecifically synthesize trans‐stilbenes was developed via the one‐pot benzylation‐dehydration reaction of aromatic aldehydes with benzyltrimethylsilane (BTMS), which was driven by tetrabutylammonium fluoride (TBAF) in THF. At the same time a plausible description of the whole process was proposed and the effects of substituted groups on the reaction were investigated. Also this method was employed to synthesize three precursors of natural products with excellent yields, which demonstrated that this method is much efficient and practical in the synthesis of some natural products.
Parametric inference for time‐to‐failure in multi‐state semi‐Markov models: A comparison of marginal and process approaches
Authors: Yang Yang , Nair Vijayan N.
Published: July 2011

In many applications, the time to some event of interest (generically called “failure”) is the end point of an underlying stochastic process. This article considers processes that can be characterized by multi‐state models, specifically progressive semi‐Markov processes. Under this framework, the authors examine estimation and prediction efficiencies of two approaches for making inference about the time‐to‐failure (TTF) distribution. The first is the traditional approach based on just TTF data. The second uses all the information in the multi‐state data to estimate the underlying parameters and then makes inference about the TTF. The latter inference can be complex with panel data (involving interval and right censoring), so it is important to quantify the efficiency gains to determine if the additional complexity is worth the effort. The authors focus mostly on gamma distributions for state sojourn times because they are closed under convolution. Results for the inverse Gaussian case which shares this property are also briefly discussed. The Canadian Journal of Statistics 39: 537–555; 2011 © 2011 Statistical Society of Canada
Comparison of imputation methods for interval censored time‐to‐event data in joint modelling of tree growth and mortality
Authors: Lee Terry C. K. , Zeng Leilei , Thompson Darby J. S. , Dean C. B.
Published: July 2011

The authors link time‐to‐event models with longitudinal models through shared latent variables when the time of the event of interest is known only to lie within an interval. The context of tree growth and mortality studies presents a natural application of shared parameter joint modelling where a latent feature of each tree impacts both mortality and growth. The authors' developments are motivated by such an application, with the additional caveat that event‐times are not known exactly, since the trees are subject to intermittent observation, with the time between measurements extending into decades or longer. Such interval censoring is a common occurrence in similar long‐term experiments in resource management, ecology and health research. The additional numerical complexity resulting from interval censored time‐to‐event data often makes inference for joint models prohibitive. The authors examine properties of three event‐time imputation methods that enable application of now standard joint modelling techniques to interval censored time‐to‐event data. The imputation techniques include the midpoint method, a kernel smoothing method, and a backsolve method which incorporates information from the longitudinal trajectory. Joint analysis of a designed, long‐term, forestry experiment is presented, accompanied by a simulation study investigating the properties of the three event‐time imputation techniques. The Canadian Journal of Statistics 39: 438–457; 2011 © 2011 Statistical Society of Canada
No Impact of Atrial Fibrillation on Mortality Risk in Optimally Treated Heart Failure Patients
Authors: Tveit Arnljot , Flonaes Berit , Aaser Ellinor , Korneliussen Kari , Froland Gisle , Gullestad Lars , Grundtvig Morten
Published: July 2011

Background:

Several studies have shown that atrial fibrillation (AF) is associated with increased risk of death in heart failure (HF) patients. However, it is not clear whether this increased risk is independent of other risk factors.

Hypothesis:

We hypothesized that AF would be an independent risk factor for death in a large cohort of HF patients.

Methods:

Patients referred to Norwegian HF outpatient clinics were enrolled between October 2000 and February 2008. Patients with heart rhythm other than AF or sinus rhythm were excluded. Mortality data were obtained from the National Statistics Bureau, Statistics Norway with the last update February 2008.

Results:

There were 4048 patients included in the analysis, with a median follow‐up of 28 months. Adherence to guidelines regarding medical treatment was high. In univariate analysis, AF patients (n = 1391) had a higher risk of death than patients in sinus rhythm (n = 2657) (hazard ratio [HR] 1.181; 95% confidence interval (CI), 1.044–1.336; P = 0.008). However, after adjusting for confounding factors (age, New York Heart Association class, coronary artery disease as the main cause of HF, use of any loop diuretic, hemoglobin level, and serum creatinine), AF was no longer associated with increased risk of death (HR 1.037; 95% CI, 0.901–1.193; P = 0.619).

Conclusions:

In this cohort of heart failure patients receiving optimal medical treatment at specialized HF clinics, AF was not associated with increased risk of death after adjusting for confounding factors. © 2011 Wiley Periodicals, Inc.

AstraZeneca Norway provided secretarial assistance in maintaining the Norwegian heart failure registry by financing an independent IT consultant. The authors have received research grants, consultancy fees, and/or honoraria for lectures from several pharmaceutical companies. The authors have no other funding, financial relationships, or conflicts of interest to disclose.
Synthesis and Anticancer Activity of the (R,S)‐Benzofused 1,5‐Oxathiepine Moiety Tethered to Purines through Alkylidenoxy Linkers
Authors: Kimatrai María , Conejo‐García Ana , Ramírez Alberto , Andreolli Elena , Da Silveira‐Gomes Adriane , García María Angel , Aránega Antonia , Marchal Juan A. , Campos Joaquín M.
Published: July 2011

Herein we report the design, synthesis, and anticancer activity of a series of substituted (R,S)‐9‐[2‐ or 3‐(3,4‐dihydro‐2H‐1,5‐benzoxathiepine‐3‐yloxy)alkyl]‐9H‐purines. Derivatives with propylenoxy‐linked 2′,6′‐dichloro‐ and 6′‐bromopurines are more active than their respective ethylenoxy‐linked purine conjugates. On the other hand, the compound with a propylenoxy‐linked 6′‐chloropurine is nearly equipotent to the corresponding ethylenoxy‐linked conjugate. Our results show that bromo‐ and chloropurine‐conjugated benzoxathiepines containing a propylenoxy linker are able to inhibit PI3 kinase (PI3K) phosphorylation in MCF‐7 breast cancer cells, indicating that the activation of eIF2α, together with inhibition of the PI3K pathway, is the mechanism of action by which these compounds effect their antitumor activity in the MCF‐7 cell line; apoptosis was induced in a p53‐independent manner.
Borane Derivatives: A New Class of Super‐ and Hyperhalogens
Authors: Pathak Biswarup , Samanta Devleena , Ahuja Rajeev , Jena Purusottam
Published: July 2011

Super‐ and hyperhalogens are a class of highly electronegative species whose electron affinities far exceed those of halogen atoms and are important to the chemical industry as oxidizing agents, biocatalysts, and building blocks of salts. Using the well‐known Wade–Mingos rule for describing the stability of closo‐boranes BnHn2− and state‐of‐the‐art theoretical methods, we show that a new class of super‐ and hyperhalogens, guided by this rule, can be formed by tailoring the size and composition of borane derivatives. Unlike conventional superhalogens, in which a central metal atom is surrounded by halogen atoms, the superhalogens formed according to the Wade–Mingos rule do not have to have either halogen or metal atoms. We demonstrate this by using B12H13 and its isoelectronic cluster CB11H12 as examples. We also show that while conventional superhalogens containing alkali atoms require at least two halogen atoms, a single borane‐like moiety is sufficient to give M(B12H12) clusters (M=Li, Na, K, Rb, Cs) superhalogen properties. In addition, hyperhalogens can be formed by using the above superhalogens as building blocks. Examples include M(B12H13)2 and M(CB11H12)2 (M=Li–Cs). This finding opens the door to an untapped source of superhalogens and weakly coordinating anions with potential applications.
Deep ultraviolet mapping of intracellular protein and nucleic acid in femtograms per pixel
Authors: Cheung Man C. , Evans James G. , McKenna Brian , Ehrlich Daniel J.
Published: July 2011

By using imaging spectrophotometry with paired images in the 200‐ to 280‐nm wavelength range, we have directly mapped intracellular nucleic acid and protein distributions across a population of Chinese hamster ovary (CHO‐K1) cells. A broadband 100× objective with a numerical aperture of 1.2 NA (glycerin immersion) and a novel laser‐induced‐plasma point source generated high‐contrast images with short (∼100 ms) exposures and a lateral resolution nearing 200 nm that easily resolves internal organelles. In a population of 420 CHO‐K1 cells and 477 nuclei, we found a G1 whole‐cell nucleic acid peak at 26.6 pg, a nuclear‐isolated total nucleic acid peak at 11.4 pg, and, as inferred by RNase treatment, a G1 total DNA mass of 7.4 pg. At the G1 peak, we found a whole‐cell protein mass of 95.6 pg, and a nuclear‐isolated protein mass of 39.3 pg. An algorithm for protein quantification that senses peptide‐bond (220‐nm) absorbance was found to have a higher signal‐to‐noise ratio and to provide more reliable nucleic acid and protein determinations when compared to more classical 280/260‐nm algorithms when used for intracellular mass mapping. Using simultaneous imaging with common nuclear stains (Hoechst 33342, Syto‐14, and Sytox Orange), we have compared staining patterns to deep‐UV images of condensed chromatin and have confirmed bias of these common nuclear stains related to nuclear packaging. The approach allows absolute mass measurements with no special sample preparation or staining. It can be used in conjunction with normal fluorescence microscopy and with relatively modest modification of the microscope. © 2011 International Society for Advancement of Cytometry
A cascading failure model for interdomain routing system
Authors: Guo Yi , Wang Zhenxing , Luo Shaopeng , Wang Yu
Published: July 2011

There have been many researches on border gateway protocol (BGP) security, most of which mainly focused on how to enhance the security of the BGP protocol or the interdomain routing system. However, few works studied the vulnerabilities especially the production mechanism of security events in the interdomain routing system. It takes many obstacles to understand and improve the security of the interdomain routing system. This paper explores the cascading failure phenomenon of the interdomain routing system. First, we devise a state machine to describe the state transition of BGP nodes and then give a detailed analysis of the BGP failure. Second, on the basis of the preferential attachment characteristic, we propose a cascading failure model for the interdomain routing system, which depicts the production mechanism of cascading failure, and introduce two evaluating indicators, the proportion of failed nodes and the proportion of failed links, to assess the scale of cascading failure. Furthermore, we apply the cascading failure model to display two different cascading failure scenes. The experimental results show that random failure has less influence on the interdomain routing system, while its robustness against hostile attack is weak. Copyright ©2011 John Wiley & Sons, Ltd.
Drug development and research in New Zealand: policies affecting the industry
Authors: Lockhart Michelle Marie , Babar Zaheer‐Ud‐Din , Garg Sanjay
Published: July 2011

Many countries employ a range of policies to support their drug development industry. The support is primarily because of the perceived potential benefits from wealth creation, employment, and international trade related to a high‐technology industry. New Zealand (NZ) has a growing drug development industry; this article reports on the results of interviews with people representing the industry. The NZ industry reported that government policies that included funding of scientific, medical, and drug development research, a robust regulatory system, and strong patent laws have created a cluster of expertise for specialized drug development services. This is similar to those that have been reported to encourage the biotechnology industries of many countries. Threats to the industry in NZ include insufficient funding, small industry size, insufficient supportive policies, and stakeholders' lack of understanding of the industry. These barriers differ from those of developing countries such as China and India, probably because NZ's industry is built on its scientific and medical research rather than its manufacturing capability. The specific policies requested to further support the NZ industry include increased government investment, improved management of funding, and support for research, education, and career development. Drug Dev Res 73: 1–10, 2012. © 2011 Wiley Periodicals, Inc.
Synergism between tramadol and meloxicam in the formalin test involves both opioidergic and serotonergic pathways
Authors: Isiordia‐Espinoza Mario A. , Terán‐Rosales Flavio , Reyes‐García Gerardo , Granados‐Soto Vinicio
Published: July 2011

This study was designed to evaluate the antinociceptive interaction of the tramadol–meloxicam combination in different proportions (tramadol + meloxicam in 1:1, 1:3, and 3:1 ratios), as well as the role of nitric oxide, opioidergic, and serotonergic pathways in the antinociceptive effect of the combination. The effects of individual drugs and fixed‐ratio combinations were assayed using the 3% formalin test in mice. Isobolographic analysis was employed to characterize the synergism produced by the combinations. Tramadol (3.16–10 mg/kg, i.m.), meloxicam (3.16–17.8 mg/kg, i.m.), and tramadol–meloxicam combinations produced a dose‐dependent antinociceptive effect. ED30 values were estimated for the individual drugs, and isobolograms were constructed. The tramadol + meloxicam 1:1 and 1:3 ratio combinations showed synergistic interactions while the 3:1 ratio produced additive effects. Naloxone (1 mg/kg, i.m.) or methiothepin (0.1 mg/kg, i.m.), but not L‐NAME (3 mg/kg, i.m.), prevented the antinociceptive effects of the combination. These data suggest that (1) the tramadol–meloxicam combination produces a functional synergistic interaction that involves both opioid and serotonin receptors, and (2) this combination may be a promising tool in pain management. Drug Dev Res 73: 43–50, 2012. © 2011 Wiley Periodicals, Inc.
Comparing surface effective saturation and depth‐to‐water‐level as predictors of plant composition in a restored riparian wetland
Authors: Booth Eric G. , Loheide Steven P.
Published: July 2011

Depth‐to‐water‐level (DTWL) measurements in shallow groundwater piezometers are commonly used to develop predictive relationships between wetland plant composition and the water regime. These analyses, however, implicitly use DTWL as a surrogate for the soil water regime within the root zone. We collected bi‐weekly field measurements of DTWL and surface effective saturation (SES) at a riparian wetland (3–4 years after restoration) in southwestern Wisconsin during the 2009 and 2010 growing seasons. Plant species composition was also sampled at the same locations (N = 62). Nonmetric multidimensional scaling (NMS) and nonparametric multiplicative regression (NPMR) were used to compare how effectively the two hydrological metrics explain the overall plant community ordination space (NMS) and predict the probability of presence of certain dominant species (NPMR). In addition, we performed each statistical method on each year's data separately in order to estimate the robustness of the metrics to predict species composition. Both SES and DTWL metrics were significantly correlated with one NMS axis for both years, although correlations were higher and more significant (p < 0·001) with the SES metrics. NPMR‐generated models were created for six representative species using the SES and DTWL metrics as predictor variables. Models created using the SES metrics had consistently higher evaluation metrics for both years as compared with the DTWL metrics. While the metrics that consistently led to models with the highest evaluation metric (logβ > 2·2) for each of the species were mean and minimum SES, models that used mean SES were more temporally consistent and, therefore, more generally applicable. Copyright © 2011 John Wiley & Sons, Ltd.
Cationic Boron‐Centred Hexanuclear Zirconium Cluster Compounds with Nitrilo Ligands and [MIIICl4]– Counter Ions: [(Zr6B)Cl12(CH3CN)6][MIIICl4] with MIII = Al, Ga, In
Authors: Bernsdorf Arne , Köckerling Martin
Published: July 2011

Molecular zirconium cluster ions were excised from the solid‐state precursor K2[(Zr6B)Cl15] using acetonitrile as the solvent. With the addition of the Lewis acids AlCl3, GaCl3 or InCl3 the chemical equilibria between the different cluster species in solution of the type [(Zr6B)Cli12(CH3CN)6–xClax]1–x with 0 ≤ x ≤ 6 are shifted such that only one species is present, with x = 0, i.e. [(Zr6B)Cli12(CH3CN)6]+. This was confirmed by 11B NMR spectroscopy. From the corresponding solutions four crystalline compounds were obtained, [(Zr6B)Cl12(CH3CN)6][AlCl4] (1), [(Zr6B)Cl12(CH3CN)6][AlCl4]·CH3CN (2), [(Zr6B)Cl12(CH3CN)6][GaCl4]·CH3CN (3) or [(Zr6B)Cl12(CH3CN)6][InCl4] (4). The single‐crystal X‐ray structures of 1–3 were determined. They all crystallize in the space group P$\bar {1}$ with two formula units per unit cell with the following cell parameters: 1: a = 12.1012(4), b = 12.7463(4), c = 17.2155(5) Å, α = 111.847(2), β = 90.243(2), γ = 117.263(2)°; 2: a = 12.037(5), b = 12.787(5), c = 17.675(7) Å, α = 92.63(1), β = 109.57(1), γ = 116.01(1)°; 3: a = 12.0926(4), b = 12.7565(4), c = 17.6895(6) Å, α = 92.757(2), β = 109.806(2), γ = 116.116(1)°. All these compounds contain molecular [(Zr6B)Cl12(CH3CN)6]+ cluster cations, [MIIICl4]– anions (MIII = Al, Ga or In) and in the case of 2 and 3 cocrystallized CH3CN molecules.
Bismuth Modified Disposable Pencil‐Lead Electrode for Simultaneous Determination of 2‐Nitrophenol and 4‐Nitrophenol by Net Analyte Signal Standard Addition Method
Authors: Asadpour‐Zeynali Karim , Najafi‐Marandi Parvaneh
Published: July 2011

A pencil‐lead electrode modified with a thin film of bismuth, that is “environmental friendlier” than mercury, was used for electrocatalytic reduction of 2‐nitrophenol (2‐NP) and 4‐nitrophenol (4‐NP) by differential pulse voltammetry and net analyte signal standard addition method (NASSAM). The modified electrode has electrocatalytic behavior toward reduction of 2‐NP and 4‐NP. Because of similar structures of analytes, at the modified electrode they have high overlapped signals that determination of them in the presence of each other is impossible with univariate methods. NASSAM is a very recently introduced method that is a new modification of the standard addition method, which was used for the simultaneous determination of 2‐NP and 4‐NP.
Impedimetric Immunosensor for Detection of Plum Pox Virus in Plant Extracts
Authors: Jarocka Urszula , Wąsowicz Michał , Radecka Hanna , Malinowski Tadeusz , Michalczuk Lech , Radecki Jerzy
Published: July 2011

This paper concerns the development of an immunosensor for detection of Plum pox virus in plant extracts. The sensor was based on gold electrodes modified with: 1,6‐hexanedithiol, gold nanoparticles, anti‐PPV IgG polyclonal antibody and BSA. It was used for determination of the virus in extracts from plum (Prunus domestica) and tobacco (Nicotiana benthamiana) leaves. The proposed electrochemical impedance spectroscopy (EIS) immunosensor displayed a very good detection limit of 10 pg/mL and a wide dynamic range from 10 pg PPV/ mL to 200 pg/mL. The presence of extracts from plant materials has no influence on the immunosensor’s response. The immunosensor was capable of discriminating between samples from healthy plants and samples containing 0.01 % of extract from infected plant material. The conditions for immunosensor regeneration are also presented.
Applications of multifunctional magnetic nanoparticles for the enrichment of proteins for PAGE separation
Authors: Sun Binjie , Huang Lingyun , Na Na , He Dacheng , Ouyang Jin
Published: July 2011

This paper describes the applications of multifunctional magnetic nanoparticles (MNPs) for the enrichment of low‐abundance proteins for polyacrylamide gel electrophoresis (PAGE) separation. The hemoglobin‐functionalized MNPs, named Hb–MNPs, were obtained based on electrostatic interactions and covalent binding between the hemoglobin (Hb) and the MNPs. It was demonstrated that the proteins in human serum were selectively conjugated to Hb‐MNPs, which can be used for the selective enrichment of low‐abundance proteins. Three and seven kinds of proteins were identified by MS after 1‐D and 2‐D PAGE, respectively. Comparing with native PAGE without the treatment of MNPs, some proteins were observed, such as human serum amyloid P component (SAP), vitamin D‐binding protein, and serine peptidase inhibitor. Because the high concentration of SAP can be considered as a signal for the neurodegeneration of Alzheimer's disease, the present Hb‐MNPs‐based method was applied to investigate the serum level of SAP for the diagnosis of Alzheimer's disease, and the results are satisfying.
Trapping and imaging of micron‐sized embryos using dielectrophoresis
Authors: Khoshmanesh Khashayar , Kiss Nimrod , Nahavandi Saeid , Evans Clive W. , Cooper Jonathan M. , Williams David E. , Wlodkowic Donald
Published: July 2011

Development of dielectrophoretic (DEP) arrays for real‐time imaging of embryonic organisms is described. Microelectrode arrays were used for trapping both embryonated eggs and larval stages of Antarctic nematode Panagrolaimus davidi. Ellipsoid single‐shell model was also applied to study the interactions between DEP fields and developing multicellular organisms. This work provides proof‐of‐concept application of chip‐based technologies for the analysis of individual embryos trapped under DEP force.
Determination of gadolinium‐based magnetic resonance imaging contrast agents by micellar electrokinetic capillary chromatography
Authors: Andrási Melinda , Gáspár Attila , Kovács Otilia , Baranyai Zsolt , Klekner Álmos , Brücher Ernő
Published: July 2011

MEKC with DAD was applied to detect six Gd‐based contrasting agents (CAs) (Gd‐DTPA‐BMA (Omniscan), Gd‐HPDO3A (ProHance), Gd‐DOTA (Dotarem), Gd‐AAZTA, Gd‐BOPTA (Multihance) and Gd‐DTPA (Magnevist)) commonly used in MRI diagnostics. The achieved LODs ranged between 0.40 and 20 μM and the optimized method gave excellent precision, especially when two internal standards were applied (less than 0.34 RSD% for migration time). The MEKC technique made it possible to determine the CAs in urine and serum samples of patients having a therapeutic dose. Due to the SDS content of the running buffer, the serum samples can be directly injected to analyze Gd‐based CAs without interference of high protein content.
High‐throughput functional marker assay for detection of Xa/xa and fgr genes in rice (Oryza sativa L.)
Authors: Salgotra Romesh K. , Millwood Reginald J. , Agarwal Sujata , Stewart C. Neal
Published: July 2011

We apply CE for high‐throughput analysis of functional markers for marker‐assisted selection in rice. The accuracy, throughput and reproducibility of CE analysis for sequence‐tagged site (STS) and simple sequence repeat (SSR) markers for bacterial blight resistance and aroma genes are demonstrated by using a CE system. Multiplex PCR products displayed well‐differentiated allelic variants using different STS and SSR markers for identification of xa13, Xa21 and fgr genes using the CE system compared to 1.2% agarose gel images. Moreover, consumption of PCR product is much less in the CE system compared to traditional agarose gel systems. Sample consumption is less than 0.1 μL per analysis, thereby conserving samples for further downstream analysis. Out of 29 genotypes in BC1F3 generation, 16 plants were found homozygous for all the three genes, viz., xa13, Xa21 and fgr. These homozygous lines can be used as potential donors in rice breeding programmes.
Pollution source direction identification: embedding dispersion models to solve an inverse problem
Authors: Williams Basil , Christensen William F. , Reese C. Shane
Published: July 2011

We develop a Bayesian method for identifying pollution source directions that combines deterministic and stochastic models. We frame the source direction identification as an inverse problem, embedding the deterministic dispersion model American Meteorological Society/United States Environmental Protection Agency Regulatory Model (AERMOD) directly into the likelihood function. AERMOD's fast computation time allows us to run the model at each iteration of the Markov chain Monte Carlo (MCMC), thereby creating a simulated likelihood function and obviating the need for an emulator. The method is flexible enough to identify multiple source directions for cases in which a species or source type of interest is emitted at more than one location, and reversible jump MCMC is used to evaluate the appropriate number of sources. Source direction identification is an important part of the pollution source apportionment problem, which entails identifying and describing pollution sources and their contributions. Copyright © 2011 John Wiley & Sons, Ltd.
Binge Eating and Temperament in Morbidly Obese Prebariatric Surgery Patients
Authors: Müller Astrid , Claes Laurence , Mitchell James E. , Fischer Julia , Horbach Thomas , de Zwaan Martina
Published: July 2011

The objective of this study was to investigate the relationship between binge eating and temperament variables, controlling for depression and adult attention deficit/hyperactivity disorder (ADHD), in 90 extremely obese individuals. The participants completed questionnaires assessing eating pathology, reactive temperament, effortful control, depression and ADHD and were grouped based on the presence of regular binge eating. Patients reporting regular binge eating did not differ from patients not reporting regular binge eating with respect to BMI, age, gender, the occurrence of adult ADHD and reactive temperament. However, individuals with binge eating exhibited more pathological scores with regard to eating pathology, depression and effortful control. A logistic regression analysis revealed that only eating concerns and reduced effortful control remained significantly associated with regular binge eating. Binge eating in morbidly obese individuals appears to be associated with a lack of effortful control. Copyright © 2011 John Wiley & Sons, Ltd and Eating Disorders Association.
Attention‐deficit/Hyperactivity Disorder in a Prebariatric Surgery Sample
Authors: Gruss Barbara , Mueller Astrid , Horbach Thomas , Martin Alexandra , de Zwaan Martina
Published: July 2011

Background

Research suggests that obese children, adolescents and adults frequently suffer from attention‐deficit/hyperactivity disorder (ADHD). The aim of the current study was to estimate the prevalence of adult ADHD in a group of patients with grade 3 obesity (body mass index ≥40 kg/m2) prior to bariatric surgery.

Method

We assessed 116 patients for childhood and adult ADHD, co‐occurring psychiatric disorders, severity of depression and daytime sleepiness.

Results

Fourteen participants (12.1%) screened positive for adult ADHD. Even though this rate is higher compared with prevalence rates in representative population samples, it was not elevated compared with a group of morbidly obese individuals in a German general population sample (14.3%). Adult ADHD was associated with greater severity of depressive symptoms and more psychotherapy contact in the past but not with binge eating disorder or daytime sleepiness.

Conclusion

As ADHD appears to be a common condition in morbidly obese individuals, the impact of adult ADHD on postsurgical weight loss needs to be examined. Besides, the causal link between obesity and ADHD in adults should be further investigated. Copyright © 2011 John Wiley & Sons, Ltd and Eating Disorders Association.
Effects of an Internet‐based Prevention Programme for Eating Disorders in the USA and Germany — A Meta‐analytic Review
Authors: Beintner Ina , Jacobi Corinna , Taylor Craig Barr
Published: July 2011

A cross‐cultural comparison of a cognitive–behavioural, Internet‐based, 8‐week prevention programme for eating disorders (StudentBodies™) evaluated in the USA and in Germany was performed. Six US and four German randomized controlled trials with a total (N) of 990 female high school and college students were included in the review. Two of the US and two of the German trials explicitly addressed high risk samples in a selective prevention approach. Effect sizes for main outcomes (disordered eating, weight and shape concerns) were calculated at postintervention and at follow‐up. The intervention was associated with moderate improvements in eating disorder‐related attitudes, especially reductions of negative body image and the desire to be thin. The reported effects remained significant at follow‐up. No clear differences between US and German samples could be found on any of the outcome measures at postintervention. In conclusion, StudentBodies™ seems equally suitable and effective for American and German students. Copyright © 2011 John Wiley & Sons, Ltd and Eating Disorders Association.
Impact of biodegradation on the potential bioaccumulation and toxicity of refinery effluents
Authors: Leonards Pim E.G , Postma Jaap F , Comber Mike , Whale Graham , Stalter George
Published: July 2011

Whole effluent assessments (WEA) are being investigated as potential tools for controlling aqueous industrial discharges and minimizing environmental impact. The present study investigated how toxicity and the presence of potentially bioaccumulative substances altered when refinery effluents were subjected to biodegradation tests. Three petrochemical effluents were assessed, two freshwater and one saline, and subjected to two different types of biodegradation tests, resembling either a ready style (dissolved organic carbon (DOC)-die away) or an inherent style (Zahn-Wellens) test and the toxicity and potential to bioaccumulate parameters were re-analysed during and after biodegradation. A high proportion of the potentially bioaccumulative substances (PBS) in these effluents was easily biodegradable. Biodegradation not only lowered the PBS concentration but also toxicity. Appropriate controls are required however, as some increases in toxicity were observed after 4 h. In the present study, six other petrochemical effluents were also assessed for their PBS content and toxicity to increase the understanding of the relationship between PBS and toxicity. The results showed that the PBS concentrations in these samples were lower than the estimated benchmarks of acute toxicity for algae, fish and crustacean, although two samples were above the critical PBS values for chronic narcotic toxicity for Daphnia magna, which support the assumption that narcotic effects are mainly responsible for the observed toxicity in refinery effluents. It can be concluded that for facilities processing petroleum products that the measurement of PBS is a suitable surrogate for toxicity tests at the screening stage. Finally, the combination of persistency, bioaccumulation, and toxicity tests was shown to have additional value compared to an approach using only toxicity tests. Environ. Toxicol. Chem. 2011;30:2175–2183. © 2011 SETAC
Application of an acute biotic ligand model to predict chronic copper toxicity to Daphnia magna in natural waters of Chile and reconstituted synthetic waters
Authors: Villavicencio German , Urrestarazu Paola , Arbildua Jose , Rodriguez Patricio H
Published: July 2011

The objective of the present study was to assess the predictive capacity of the acute Cu biotic ligand model (BLM) as applied to chronic Cu toxicity to Daphnia magna in freshwaters from Chile and synthetic laboratory-prepared waters. Samples from 20 freshwater bodies were taken, chemically characterized, and used in the acute Cu BLM to predict the 21-d chronic Cu toxicity for D. magna. The half-maximal effective concentration (EC50) values, determined using the Organisation for Economic Co-operation and Development (OECD) 21-d reproduction test (OECD Method 211), were compared with the BLM simulated EC50 values. The same EC50 comparison was performed with the results of 19 chronic tests in synthetic media, with a wide range of hardness and alkalinity and a fixed 2 mg/L dissolved organic carbon (DOC) concentration. The acute BLM was modified only by adjustment of the accumulation associated with 50% of an effect value (EA50). The modified BLM model was able to predict, within a factor of two, 95% of the 21-d EC50 and 89% of the 21-d half-maximal lethal concentrations (LC50) in natural waters, and 100% of the 21-d EC50 and 21-d LC50 in synthetic waters. The regulatory implications of using a slightly modified version of an acute BLM to predict chronic effects are discussed. Environ. Toxicol. Chem. 2011;30:2319–2325. © 2011 SETAC
Soils and late‐Quaternary landscape evolution in the Cottonwood River basin, east‐central Kansas: Implications for archaeological research
Authors: Beeton Jared M. , Mandel Rolfe D.
Published: July 2011

Temporal and spatial patterns of landscape evolution strongly influence the temporal and spatial patterns of the archaeological record in drainage systems. In this geoarchaeological investigation we took a basin‐wide approach in assessing the soil stratigraphy, lithostratigraphy, and geochronology of alluvial deposits and associated buried soils in the Cottonwood River basin of east‐central Kansas. Patterns of landscape evolution emerge when stratigraphic sequences and radiocarbon chronologies are compared by stream size and landform type. In the valleys of high‐order streams (≥4th order) the Younger Dryas Chronozone (ca. 11,000–10,000 14C yr B.P.) was characterized by slow aggradation accompanied by pedogenesis, resulting in the development of organic‐rich cumulic soils. Between ca. 10,000 and 4900 14C yr B.P., aggradation punctuated by soil formation was the dominant process in those valleys. Alluvial fans formed on the margins of high‐order stream valleys during the early and middle Holocene (ca. 9000–5000 14C yr B.P.) and continued to develop slowly until ca. 3000–2000 14C yr B.P. The late‐Holocene record of high‐order streams is characterized by episodes of entrenchment, rapid aggradation, and slow aggradation punctuated by soil development. By contrast, the early and middle Holocene (ca. 10,000–5000 14C yr B.P.) was a period of net erosion in the valleys of low‐order streams. However, during the late Holocene small valleys became zones of net sediment storage. Consideration of the effects of these patterns of landscape evolution on the archaeological record is crucial for accurately interpreting that record and searching for buried archaeological deposits dating to specific cultural periods. © 2011 Wiley Periodicals, Inc.
Simulating and predicting river discharge time series using a wavelet‐neural network hybrid modelling approach
Authors: Wei Shouke , Song Jinxi , Khan Nasreen Islam
Published: July 2011

Accurate simulation and prediction of the dynamic behaviour of a river discharge over any time interval is essential for good watershed management. It is difficult to capture the high‐frequency characteristics of a river discharge using traditional time series linear and nonlinear model approaches. Therefore, this study developed a wavelet‐neural network (WNN) hybrid modelling approach for the predication of river discharge using monthly time series data. A discrete wavelet multiresolution method was employed to decompose the time series data of river discharge into sub‐series with low (approximation) and high (details) frequency, and these sub‐series were then used as input data for the artificial neural network (ANN). WNN models with different wavelet decomposition levels were employed to predict river discharge 48 months ahead of time. Comparison of results from the WNN models with those of the ANN models alone indicated that WNN models performed a more accurate prediction. Copyright © 2011 John Wiley & Sons, Ltd.