bluuebunny/crossref_metadata_2025 huggingface dataset:
Water‐Soluble Copper(II) Complexes with a Sulfonic‐Functionalized Arylhydrazone of β‐Diketone and Their Application in Peroxidative Allylic Oxidation of Cyclohexene
Authors: Mizar Archana , Guedes da Silva M. Fátima C. , Kopylovich Maximilian N. , Mukherjee Sanghamitra , Mahmudov Kamran T. , Pombeiro Armando J. L.
Published: March 2012

The reaction of CuII acetate with the new sulfo‐functionalized arylhydrazone of β‐diketone 2‐[2‐(4,4‐dimethyl‐2,6‐dioxocyclohexylidene)hydrazinyl]benzenesulfonic acid (H2L, 1) in aqueous methanol solution led to the formation of the 2D coordination polymer {[Cu4(1κ2O,κN:2κO,κN‐L)4(μ‐OH2)2]·H2O}n (2). However, when the reaction was peformed in the presence of the N‐containing species cyanoguanidine (cyg), 3,5‐dimethyl‐1H‐pyrazole (dp), 2,2′‐bipyridine (bpy) or pyrazine (py), the mononuclear (H3O+)2[Cu(κ2O,κN‐L)2] (4), [Cu(κ2O,κN‐L)(dp)2] (3) or [Cu(κ2O,κN‐L)(κ2N‐bpy)] (5) or dinuclear [{Cu(κ2O,κN‐L)(H2O)}2(κ‐py)]·CH3OH (6) complexes were obtained, respectively. The compounds were characterized by elemental analysis, IR spectroscopy, single‐crystal X‐ray diffraction analysis and, for 1, by 1H and 13C NMR spectroscopy. The CuII complexes 2–6 act as catalyst precursors for the selective peroxidative (with TBHP) allylic oxidation of cyclohexene to cyclohex‐2‐enol (Cy‐ol) and cyclohex‐2‐enone (Cy‐one), formed in a Cy‐one/Cy‐ol ratio of up to 9 with total yields of around 70 % and TONs of up to 350.
A General Synthesis of Indole‐3‐carboxylic Esters by Palladium‐Catalyzed Direct Oxidative Carbonylation of 2‐Alkynylaniline Derivatives
Authors: Gabriele Bartolo , Veltri Lucia , Mancuso Raffaella , Salerno Giuseppe , Costa Mirco
Published: March 2012

A general synthesis of indole‐3‐carboxylic esters by direct Pd‐catalyzed oxidative carbonylation of readily available 2‐alkynylaniline derivatives is reported. In particular, 2‐alkynylanilines bearing an internal triple bond and a secondary amino group (1) were directly converted into indole‐3‐carboxylic esters 2 in fair to good yields (50–84 %) when let to react with CO, O2, and an alcohol in the presence of the PdI2/KI catalytic system, under relatively mild conditions [100 °C and 20 atm (at 25 °C) of a 4:1 mixture CO/air]. On the other hand, under similar conditions, but in the presence of HC(OMe)3, 2‐alkynylanilines bearing an internal triple bond and a primary amino group (7) afforded 1‐(dimethoxymethyl)indole‐3‐carboxylic esters 9 through the intermediate formation of N‐(dimethoxymethyl)‐2‐alkynylaniline derivatives II. Compounds 9 could be conveniently converted into N‐unsubstituted indole‐3‐carboxylic esters 10 by a simple acidic treatment carried out in MeOH/H2O at 80 °C.
Hydroxythiazole‐Based Fluorescent Probes for Fluoride Ion Detection
Authors: Calderón‐Ortiz Lorena K. , Täuscher Eric , Leite Bastos Erick , Görls Helmar , Weiß Dieter , Beckert Rainer
Published: March 2012

This work describes the synthesis of five O‐silyloxy‐1,3‐thiazoles and their use as fast‐response “turn‐on” probes for fluoride ion detection in polar aprotic solvents and in aqueous cetyltrimethylammonium bromide micellar medium. The fluoride‐triggered deprotection of these silyl ethers results in ca. 180‐nm shifts in the fluorescence emission wavelengths. All compounds are suitable for the detection of fluoride ions with a detection limit in DMSO of 10–7 mol L–1; derivatives containing a 2‐pyridyl moiety in the thiazole system are more efficient than those with a 3‐ or 4‐pyridyl moiety. Typical anionic interferents, such as acetate or chloride, are not detected by O‐silyloxy‐1,3‐thiazoles, making these compounds very specific for fluoride.
Intermolecular Metal‐Free Cyclopropanation of Alkenes Using Tosylhydrazones
Authors: Barluenga José , Quiñones Noelia , Tomás‐Gamasa María , Cabal María‐Paz
Published: March 2012

We describe the first general method for the metal‐free cyclopropanation of alkenes by using N‐tosylhydrazones as an in situ source of diazo compounds. This new method works with a wide variety of alkenes (styrene derivatives, dienes, enynes, and electron‐deficient alkenes) by using N‐tosylhydrazones derived from various ketones or aldehydes (aromatic, aliphatic, enones). The reaction is performed with the use of K2CO3 as a base to form the diazo species and is compatible with a wide array of functional groups.
Acceptance limits for performance‐based seismic design of RC walls for low‐rise housing
Authors: Carrillo Julian , Alcocer Sergio M.
Published: March 2012

Acceptance limits of the structural response of walls for low‐rise concrete housing were developed. Proposed values are applicable within a performance‐based seismic design framework. Acceptance limits are based on performance indicators of structural response–allowable story drift ratios, width of residual cracks and residual damage index, and expected damage of walls. Cracking limits were defined from parameters obtained at the unloading stage of walls (i.e., residual cracking stage). The residual cracking stage may be used for structural damage evaluation and cost estimation of structural rehabilitation after an earthquake has occurred. The performance indicators proposed herein were derived from test observations and measured response of 39 RC walls' specimens during shaking table and quasistatic testing, as well as from limiting values and results of previous studies. Copyright © 2012 John Wiley & Sons, Ltd.
Performance Comparison of Pt1–xPdx/Carbon Nanotubes Catalysts in Both Electrodes of Polymer Electrolyte Membrane Fuel Cells
Authors: Jung D.‐W. , Park S. , Ahn C.‐Y. , Kim J.‐B. , Oh E.‐S.
Published: March 2012

The catalytic activity of Pt1–xPdx nanoparticles supported on carbon nanotubes (CNTs) was evaluated for both the hydrogen oxidation reaction (HOR) and oxygen reduction reaction (ORR) of polymer electrolyte membrane fuel cells (PEMFCs). Using a colloidal method, Pt1–xPdx/CNTs catalysts (x = 0, 0.46, 0.76, and 0.9) were prepared, and their physical and electrochemical characteristics were analyzed using a variety of characterization techniques, including XRD, TEM, energy dispersive spectrometer, cyclic voltammetry, and electrochemical impedance spectroscopy. Both Pt and Pd atoms formed a continuous solid solution and thus were randomly mixed in Pt1–xPdx nanoparticles. Due to the high hydrogen absorption of Pd, the use of Pd in the catalyst provided an advantage for HOR but a disadvantage for ORR. The Pt0.53Pd0.47/CNTs catalyst in the anode and cathode showed the best cell performance of PEMFCs.
Understanding Membrane Failure in PEMFC: Comparison of Diagnostic Tools at Different Observation Scales
Authors: De Moor G. , Bas C. , Charvin N. , Moukheiber E. , Niepceron F. , Breilly N. , André J. , Rossinot E. , Claude E. , Albérola N. D. , Flandin L.
Published: March 2012

Polyelectrolyte membrane used in proton exchange membrane fuel cell (PEMFC) should act as a barrier to hydrogen and electrons. In the present work, fast and robust specific tools were developed both to characterize these properties and localize defects, such as pinholes or short‐circuits, within the membrane electrode assembly (MEA). The identification of defective cells without disassembling the Axane's stack was performed in a single step through a passive electrical technique so‐called “relaxometry” and by internal gas leak measurements. The flaws were further tracked inside MEA using Infrared Thermography in order to obtain their precise location. The latter, performed after stack disassembly, permitted to reveal the defects responsible for the Fuel Cell shutdown. A third step dealt with SEM examinations of the flaws in order to identify the origin and nature of the membrane failure.
Aquaporin‐4 regulates extracellular space volume dynamics during high‐frequency synaptic stimulation: A gene deletion study in mouse hippocampus
Authors: Haj‐Yasein Nadia Nabil , Jensen Vidar , Østby Ivar , Omholt Stig W. , Voipio Juha , Kaila Kai , Ottersen Ole P. , Hvalby Øivind , Nagelhus Erlend A.
Published: March 2012

Little is known about the physiological roles of aquaporin‐4 (AQP4) in the central nervous system. AQP4 water channels are concentrated in endfeet membranes of astrocytes but also localize to the fine astrocytic processes that abut central synapses. Based on its pattern of expression, we predicted that AQP4 could be involved in controlling water fluxes and changes in extracellular space (ECS) volume that are associated with activation of excitatory pathways. Here, we show that deletion of Aqp4 accentuated the shrinkage of the ECS that occurred in the mouse hippocampal CA1 region during activation of Schaffer collateral/commissural fibers. This effect was found in the stratum radiatum (where perisynaptic astrocytic processes abound) but not in the pyramidal cell layer (where astrocytic processes constitute but a minor volume fraction). For both genotypes the ECS shrinkage was most pronounced in the pyramidal cell layer. Our data attribute a physiological role to AQP4 and indicate that this water channel regulates extracellular volume dynamics in the mammalian brain. © 2012 Wiley Periodicals, Inc.
The CCL2‐CCR2 system affects the progression and clearance of intracerebral hemorrhage
Authors: Yao Yao , Tsirka Stella E.
Published: March 2012

Intracerebral hemorrhage (ICH) has been associated with inflammation and apoptosis. The CCL2‐CCR2 chemotactic system is one of the major signaling pathways that induce inflammation and apoptosis. However, its role on ICH has not been investigated. We subjected wild‐type, CCL2−/−, and CCR2−/− mice to collagenase‐induced ICH, and assessed histological and behavioral outcomes. Lack of CCL2 or CCR2 decreased the hematoma volume early after collagenase‐induced ICH but delayed its recovery. The hematoma size was accompanied by brain edema, neuronal death, and neurological scores. Although microglia activation/migration was attenuated in CCL2−/− or CCR2−/− mice 1 day after injury, more microglia were present at later time points, suggesting that alternative signaling pathways had been activated to recruit them. On the contrary, leukocyte and neutrophil infiltration were decreased in these mice, suggesting a tighter/recovered blood‐brain barrier. In addition, we also found that FL‐ and K104Stop‐CCL2 were able to restore the changes found in CCL2−/− mice, but K104A‐CCL2 failed to do so. These results suggest that plasmin‐mediated truncation of CCL2 may be an indispensable step to fully activate the chemokine in vivo. The data also indicate that CCL2‐CCR2 signaling pathway may be a molecular target for the treatment of ICH. © 2012 Wiley Periodicals, Inc.
Effect of graphite felt and activated carbon fiber felt on performance of freshwater sediment microbial fuel cell
Authors: Song Tian‐shun , Tan Wei‐min , Wu Xia‐yuan , Zhou Charles C.
Published: March 2012

BACKGROUND: Sediment microbial fuel cells (SMFCs) could be used as power sources and one type of new technology for the removal of organic matters in sediments. Various types of materials have been used as electrodes. Nevertheless, there is still room to improve electrode materials and enhance their effect on the performance of SMFCs. In this work, performances of SMFCs with activated carbon fiber felt (ACFF) and with nitric acid‐treated ACFF were compared with graphite felt (GF) materials.

RESULTS: The maximum power density of the SMFC with ACFF electrode was the highest (33.5 ± 1.5 mW m−2). Nitric acid‐treated GF electrode slightly increased the maximum power density of SMFC, while the nitric acid treated‐ACFF resulted in significant decline in the maximum power density of SMFC. The maximum power density further increased to 74.5 ± 7.5 mW m−2 in SMFC using GF cathode and ACFF anode.

CONCLUSIONS: ACFF as anode can enhance the transport of electrons from the oxidation of organic matter in the sediment, while the output power was found to reduce in SMFC with ACFF cathode. Further efforts are needed to study the formation conditions of the biocathode and new electrode modification technology. Copyright © 2012 Society of Chemical Industry
PAH degradation and redox control in an electrode enhanced sediment cap
Authors: Yan Fei , Reible Danny D.
Published: March 2012

Capping is typically used to control contaminant release from the underlying sediments. However, the presence of conventional sediment caps will often eliminate or slow natural degradation that might otherwise occur at the surface sediment. The objective of this study was to explore the potential of a novel reactive capping, an electrode enhanced cap for the remediation of PAH contaminated sediment. The study on electrode enhanced biodegradation of PAH in slurries showed that naphthalene concentration decreased from ∼1000 to ∼50 µg L−1, and phenanthrene decreased from ∼150 to ∼30 µg L−1 in the ElectroBioReactor within 4 days, and the copy numbers of PAH degrading genes increased by almost two orders of magnitude. In a cap microcosm, two carbon electrodes were placed within a sediment cap with an applied potential of 2 V. The anode was placed at the sediment–cap interface encouraging oxidizing conditions. Oxidation and reduction potential (ORP) profiles showed redox potential approximately 60–100 mV higher at the sediment–cap interface with the application of voltage than in controls. Vertical profiles of phenanthrene porewater concentration were obtained by PDMS‐coated fiber, and results showed that phenanthrene at depth 0–0.5 cm below the anode was degraded to ∼70% of the initial concentration within 10 weeks. PAH degrading genes showed an increase of approximately one order of magnitude at the same depth. The no power controls showed no degradation of PAH. These findings suggest that electrode enhanced capping can be used to control redox potential, provide microbial electron acceptors, and stimulate PAH degradation. Copyright © 2012 Society of Chemical Industry
The effect of salinity on nitrite accumulation in a down‐flow hanging sponge reactor
Authors: Natori T. , Takemura Y. , Harada H. , Abe K. , Ohashi A. , Kimura M. , Yamaguchi T. , Okubo T. , Uemura S.
Published: March 2012

BACKGROUND: In this study, the inductive effect of salinity on nitrite accumulation in a down‐flow hanging sponge (DHS) reactor, developed as a novel and cost‐effective wastewater treatment process, was evaluated by conducting a long‐term continuous experiment lasting more than 1400 days.

RESULTS: The influent salinity was controlled by adding NaCl at concentrations ranging from 0 to 25 g Cl− L−1. The effluent nitrite increased with increases in salinity, i.e. the fraction of nitrite to total nitrogen in the effluent increased from 1.6% at 0 g Cl− L−1 to 87.6% at 25 g Cl− L−1. Fluorescence in situ hybridization (FISH) analysis revealed that as salinity increased, the nitrifying bacterial community in the DHS changed markedly at the species level. In particular, the dominant nitrite‐oxidizing bacteria changed from Nitrospira‐sublineage I at 0 g Cl− L−1 to Nitrobacter spp. at 15 g Cl− L−1. At 25 g Cl− L−1, no nitrite‐oxidizing bacteria were detected.

CONCLUSION: Our findings suggest that the DHS reactor is suitable for cost‐effective nitrite production processes and that salinity control using NaCl is an effective method for inducing nitrite accumulation. Copyright © 2012 Society of Chemical Industry
Toxicity of three F‐substituent aromatics in anaerobic systems
Authors: Zhao Zhi‐Qing , Xu Li‐Li , Li Wen‐Bing , Wang Mei‐Zhen , Shen Xiao‐Li , Ma Gang‐Shuang , Shen Dong‐Sheng
Published: March 2012

BACKGROUND: The commercial use of organofluorine compounds has dramatically increased over the past few years. However, little information has been reported on the potential toxicity of organofluorine compounds to anaerobic digestion processes. In this work, the effects of 4‐fluorophenol (p‐FP), 4‐fluorobenzoic acid (p‐FB) and 4‐fluoroaniline (p‐FA) on methanogenesis and biodegradability were evaluated using sucrose‐fed systems.

RESULTS: The anaerobic biodegradation of three test compounds was not observed in the study. Adsorption of p‐FP, p‐FB and p‐FA to the sludge fitted the linear model well (r2 > 0.94). The partition coefficient Kd was 25 L kg−1 for p‐FP, 16 L kg−1 for p‐FB and 26 L kg−1 for p‐FA. Both methanogensis and hydrolysis acidification were inhibited in the presence of three test compounds. The half maximal inhibitory concentrations (IC50s) of methanogenic activity were 339, 1390 and 1907 mg L−1 for p‐FP, p‐FB and p‐FA, respectively. A significant linear correlation (R2 = 0.99, P < 0.05) was obtained between the half maximal inhibitory concentrations and the most negative atomic charges of molecules (q−) of the three F‐substituent aromatics.

CONCLUSIONS: Three F‐substituent aromatics had specific effects on methanogensis, hydrolysis acidification and syntrophic cooperation in anaerobic systems. Copyright © 2012 Society of Chemical Industry
Synchrotron X‐ray microscopic computed tomography of the pump system of a female mosquito
Authors: Kim Bo Heum , Seo Eun Seok , Lim Jae Hong , Lee Sang Joon
Published: March 2012

The pumping organ of blood‐sucking female mosquitoes has a three‐dimensional (3D) structure. However, conventional two‐dimensional imaging methods are insufficient for visualizing the 3D structure in detail. Furthermore, their 3D imaging tasks are highly time consuming and sample preparation process requires elaborate skill. Among 3D imaging techniques, synchrotron X‐ray microscopic computed tomography (SR‐μCT) is especially suitable for small insects with opaque cuticles, such as mosquitoes. In this study, the 3D morphological structure of the pump system of a female mosquito was visualized using SR‐μCT. Expandable volume capacities of two pump chambers were measured for several mosquito samples of similar size. To verify the cross‐sectional images acquired by SR‐μCT, complementary paraffin‐sectioning data were compared. Microsc. Res. Tech. 75:1051–1058, 2012. © 2012 Wiley Periodicals, Inc.
Predicting the health economic performance of new non‐fusion surgery in adolescent idiopathic scoliosis
Authors: Hummel J. Marjan , Boomkamp Inge S. M. , Steuten Lotte M. G. , Verkerke Bart G. J. , IJzerman Maarten J.
Published: March 2012

Adolescent idiopathic scoliosis (AIS) can lead to pain, impaired spinal function, and socio‐psychological problems. Conventional surgical treatment of severe forms of AIS fuses the vertebrae, thereby restricting spinal function and growth of the adolescents. Non‐fusion surgical treatment (NFS) is being proposed to prevent these drawbacks. To support the further development of NFS, this study aims to predict the health economic performance of the new NFS treatment and compare it with standard AIS treatment. A decision tree was constructed to compare NFS with bracing, possibly followed by posterior fusion surgery. The outcome measures were quality of life, complications, and costs. The Analytic Hierarchy Process (AHP), a technique for multi‐criteria decision analysis, supported an expert panel of biomedical engineers and orthopaedic surgeons to predict the missing NFS performance data in the decision tree. The decision tree analysis showed that NFS is the preferred form of treatment in patients prone to disease progression. The advantages are its positive effect on spinal function and the self‐esteem of the patient. Future clinical acceptance of NFS can be supported by reduced costs and an optimization of the prediction of progression. As more clinical evidence becomes available over time, these data can be added to the health economic model. © 2012 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 30:1453–1458, 2012
The scent of Mare Nostrum: medicinal and aromatic plants in Mediterranean soils
Authors: Carrubba Alessandra , Scalenghe Riccardo
Published: March 2012

In the Mediterranean area, the simultaneous occurrence of pedological, climatic and economic constraints often sets a limit on the profitability of agriculture, and farmers are forced to grow a reduced number of species, dealing with a secure—albeit low—market income. The introduction of medicinal and aromatic plants (MAPs) inside the current farming systems could represent a useful means to meet the multifunctional role of agriculture: producing safe food, in respect of the environment, and contributing to the development of rural areas. The study of the relationships between MAPs and the soils in which they may be grown may have two approaches: (1) the evaluation of yield and qualitative response of MAPs to the variation of soil features; and (2) the study of selective recovery of certain elements (toxic and beneficial), and their subsequent release in herbal products. In many MAPs, significant variations of plant characteristics have been ascertained with varying soil traits, and the selective recovery and subsequent release in food of certain elements have been demonstrated. Hence, great attention must be paid to the choice of soil and cropping strategies, to obtain satisfactory yields of high quality and best‐priced products, respecting their safety and nutritional value. Copyright © 2012 Society of Chemical Industry
Ultraviolet‐B light treatment increases antioxidant capacity of carrot products
Authors: Avena‐Bustillos Roberto J , Du Wen‐Xian , Woods Rachelle , Olson Donald , Breksa Andrew P , McHugh Tara H
Published: March 2012

BACKGROUND: The effect of ultraviolet‐B (UV‐B) light as a postharvest treatment to enhance the antioxidant content of carrots and fresh‐cut carrot products was evaluated. Four levels of UV‐B dose ranging from 1.3 to 12 kJ m−2 were applied to whole, baby and various styles of cut carrots, and the changes in antioxidant capacity, total soluble phenolics and phenylalanine ammonia‐lyase (PAL, EC 4.3.1.24) activity were measured after a 3 day incubation period at 15 °C and 45% relative humidity.

RESULTS: Both cutting style and dose level were factors in determining carrot responses to UV‐B treatment. Antioxidant capacity increased significantly (1.4–6.6‐fold). Total soluble phenolic results correlated directly with those of antioxidant capacity (R2 = 0.953), indicating that the enhancements achieved were due to an increase in phenolic content. High‐performance liquid chromatography analysis revealed that 5‐O‐caffeoylquinic acid (5‐CQA) was the primary phenolic responsible for this increase. Higher PAL activity was also observed in UV‐B‐treated samples, indicating that the increase in 5‐CQA was a biological response to UV‐B exposure.

CONCLUSION: UV‐B treatment has the potential to increase the nutritional value of carrots and offers an exciting opportunity to increase consumer accessibility to dietary choices that are rich in antioxidants. Published 2012 by John Wiley & Sons, Ltd.
Chemical analysis and acetylcholinesterase inhibitory effect of anthocyanin‐rich red leaf tea (cv. Sunrouge)
Authors: Maeda‐Yamamoto Mari , Saito Takeshi , Nesumi Atsushi , Tokuda Yoshiko , Ema Kaori , Honma Daiki , Ogino Akiko , Monobe Manami , Murakami Akira , Murakami Akira , Tachibana Hirofumi
Published: March 2012

BACKGROUND: The purpose of this study was to evaluate the effects of leaf order or crop season on anthocyanins and other chemicals in the anthocyanin‐rich tea cultivar ‘Sunrouge’ (Camellia sinensis x C. taliensis) by using high‐performance liquid chromatography, and to study the effect of ‘Sunrouge’ extract on acetylcholinesterase (AChE) activity in human neuroblastoma SK‐N‐SH cells.

RESULTS: The total anthocyanin content was higher in the third (3.09 mg g−1) than in the second (2.24 mg g−1) or first crop season (1.79 mg g−1). The amount of anthocyanins contained in the stem was high (1.61 mg g−1). In the third crop season, the concentrations of delphinidin‐3‐O‐β‐D‐(6‐(E)‐p‐coumaroyl)galactopyranoside (DCGa), cyanidin‐3‐O‐β‐D‐(6‐(E)‐p‐coumaroyl)galactopyranoside, delphinidin‐3‐O‐β‐D‐galactopyranoside, delphinidin‐3‐O‐β‐D‐(6‐O‐(Z)‐p‐coumaroyl)galactopyranoside, cyanidin‐3‐O‐β‐D‐galactoside, and delphinidin‐3‐O‐β‐D‐glucoside were 1.57 mg g−1, 0.52 mg g−1, 0.40 mg g−1, 0.22 mg g−1, 0.14 mg g−1, and 0.11 mg g−1, respectively. DCGa accounted for about 50% of the anthocyanins present. The suppressive effect of ‘Sunrouge’ water extract on AChE activity in human neuroblastoma SK‐N‐SH cells was the strongest among the three tea cultivars (‘Sunrouge’, ‘Yabukita’ and ‘Benifuuki’).

CONCLUSION: These results suggested that ‘Sunrouge’ might protect humans from humans from AChE‐related diseases by suppressing AChE activity. To obtain sufficient amounts of anthocyanins, catechins and/or caffeine for a functional food material, ‘Sunrouge’ from the third crop season should be used. Copyright © 2012 Society of Chemical Industry
Natural occurrence of aflatoxin B1 in sorghum grown in different geographical regions of India
Authors: Ratnavathi Chamarthy Venkata , Komala Vadabalija Venkata , Kumar Bathula Swaroop Vijay , Das Indra Kanta , Patil Jagannath Vishnu
Published: March 2012

BACKGROUND: Sorghum (Sorghum bicolor (L.) Moench) is an important coarse cereal crop grown for grain and fodder in the semi‐arid Tropics, mainly in Asian and African countries. In India sorghum is consumed as human food and poultry feed. Sorghum grain grown in the rainy season (kharif) is becoming severely affected by grain moulds, the major fungi involved being Aspergillus, Fusarium and Curvularia. If the extent of mould is severe, the grain is unsafe for consumption owing to contamination by mycotoxins.

RESULTS: This paper presents a multi‐centre study conducted in sorghum to evaluate natural contamination of aflatoxin B1 in India. A total of 1606 grain sorghum samples were collected during the rainy (kharif) season across 4 years from seven states of India, representing different geographical regions of the country. Aflatoxin B1 contamination during 2007–08 was the highest (13.1%), followed by samples from the year 2004–05 (2.85%). The samples collected in years 2005–06 and 2006–07 showed contamination below 1%. The number of samples (35) showing aflatoxin B1 contamination above the safety limit was also highest during 2007–08 as compared to samples from the other years.

CONCLUSION: This study, conducted for 4 years, showed that natural contamination of aflatoxin B1 in sorghum grown in India is within safety limits (20 µg kg−1) recommended by the Codex Alimentarius Committee and 73% of samples were positive for toxin. However, 0.75% (12) of total samples contained aflatoxin above the safety limit. The overall occurrence of toxin from Madhya Pradesh and Rajasthan was below 5 µg kg−1. Copyright © 2012 Society of Chemical Industry
Development of Star Polymers as Unimolecular Containers for Nanomaterials
Authors: Gao Haifeng
Published: March 2012

Star polymers containing one central core surrounded by multiple radiating arms represent an intriguing type of globular platform to be used as unimolecular containers and reactors. The core domain can encapsulate guest “cargos”, whereas protective shell and chain ends can be functionalized with reactive groups and ligands. This Feature Article highlights the recent development on using core‐shell structured amphiphilic star polymers as unimolecular containers for applications in drug delivery, catalysis, and template of hybrid nanomaterials. As compared with dendrimers, star polymers enjoy advantages of facile synthesis, flexible compositions, and tunable sizes, which allow them being able to carry more and multiple “cargos” within one molecule.
Narciclasine as well as other Amaryllidaceae Isocarbostyrils are Promising GTP‐ase Targeting Agents against Brain Cancers
Authors: Van Goietsenoven Gwendoline , Mathieu Véronique , Lefranc Florence , Kornienko Alexander , Evidente Antonio , Kiss Robert
Published: March 2012

The anticancer activity of Amaryllidaceae isocarbostyrils is well documented. At pharmacological concentrations, that is, approximately 1 μM in vitro and approximately 10 mg/kg in vivo, narciclasine displays marked proapoptotic and cytotoxic activity, as does pancratistatin, and significant in vivo anticancer effects in various experimental models, but it is also associated with severe toxic side effects. At physiological doses, that is, approximately 50 nM in vitro and approximately 1 mg/kg in vivo, narciclasine is not cytotoxic but cytostatic and displays marked anticancer activity in vivo in experimental models of brain cancer (including gliomas and brain metastases), but it is not associated with toxic side effects. The cytostatic activity of narciclasine involves the impairment of actin cytoskeleton organization by targeting GTPases, including RhoA and the elongation factor eEF1A. We have demonstrated that chronic treatments of narciclasine (1 mg/kg) significantly increased the survival of immunodeficient mice orthotopically xenografted with highly invasive human glioblastomas and apoptosis‐resistant brain metastases, including melanoma‐ and non‐small‐cell‐lung cancer‐ (NSCLC) related brain metastases. Thus, narciclasine is a potentially promising agent for the treatment of primary brain cancers and various brain metastases. To date, efforts to develop synthetic analogs with anticancer properties superior to those of narciclasine have failed; thus, research efforts are now focused on narciclasine prodrugs.
Substituent electrophilicities in the NMR spectra of barbituric derivatives
Authors: Rezende Marcos Caroli , Almodovar Iriux
Published: March 2012

Comparison of the 1H and 13 C NMR spectra of a series of substituted 5‐benzylidene‐N,N′‐dimethylbarbituric acids (1) revealed chemical‐shift variations of different centers that correlated with the theoretical electrophilicities or with the substituent electrophilic constant σω , in an example of the usefulness of these DFT‐based indices. Copyright © 2012 John Wiley & Sons, Ltd.
Structure determination of fexofenadine‐α‐cyclodextrin complex by quantitative 2D ROESY analysis and molecular mechanics studies
Authors: Ali Syed Mashhood , Khan Shania , Crowyn Gregory
Published: March 2012

Complexation of fexofenadine with α‐cyclodextrin in aqueous medium was studied. The stoichiometry of the resulting inclusion complex was determined by 1H NMR titration data. 2D ROESY data provided the evidence of formation of the complex by entry of the phenyl ring into the α‐cyclodextrin cavity probably from wider opening. Determination of relative peak intensities of intermolecular cross‐peaks for the most stable complexes obtained by molecular mechanics (MM2) studies and from 2D ROESY spectral data confirmed the presence of only one complex in solution that has been fully characterized. Copyright © 2012 John Wiley & Sons, Ltd.
Density functional theory study of nitrogen‐14 nuclear quadrupole coupling parameters of L‐histidine: hydrogen‐bonded system
Authors: Elmi Maryam Mitra , Kaykhaei Abbas Ali , Elmi Fatemeh
Published: March 2012

The calculations of nitrogen‐14 nuclear quadrupole parameters, nuclear quadrupole coupling constant, χ, and asymmetry parameter, η, of L‐His were done in two distinct environments: one as a free fully optimized molecule, an isolated molecule with the geometrical parameters taken from X‐ray, and the other in the orthorhombic and monoclinic solid states. The most probable interacting molecules with the central molecule in the crystalline phase were considered in the hexameric clusters to include hydrogen‐bonding effects in the calculations. The computations were performed with PW91P86/6‐31++G** and B3LYP6‐31++G** methods using the Gaussian 98 program. The good agreement between the nitrogen‐14 quadrupole parameters of the free His and imidazole molecules with their microwave available data demonstrates that the applied level of theory and the 6‐31++G** basis set are suitable to obtain reliable electric field gradient values. In the solid state, the shifts of quadrupole coupling parameters from the monomer to the solid phase are reasonably well reproduced for the amino and imino sites of imidazole ring in a hexameric cluster. That implies the fact that the hexameric cluster worked effectively to generate the results which are compatible with the experiment. The quadrupole coupling constant values of –N+H3 group are in fair agreement with the experiment. This discrepancy is due to the absences of vibrational effects and the rotation of –N+H3 group around N–C(α) bond. Copyright © 2012 John Wiley & Sons, Ltd.
Overactive bladder symptoms and voiding dysfunction in neurologically normal women
Authors: Espuña‐Pons Montserrat , Cardozo Linda , Chapple Christopher , Sievert Karl‐Dietrich , van Kerrebroeck Phillip , Kirby Michael G.
Published: March 2012

Aims

To understand mechanisms underlying overactive bladder (OAB) and voiding dysfunction (VD) in neurologically normal women.

Methods

Review of MEDLINE from (1982) to (2011) using defined search terms, and manual analysis. Only articles published in English were included.

Results

One in five women report moderate to severe lower urinary tract symptoms (LUTS). Whilst VD is more common in men, women report a higher rate of storage symptoms or post‐micturition symptoms. Post‐void residual (PVR) volume measurements are vital in the assessment of women with LUTS and patients with VD without stress incontinence (SUI) are likely to have an elevated PVR (82%). Bladder outlet obstruction (BOO) also causes VD in women and can be alleviated by surgery or alpha‐blocker therapy, although OAB symptoms typically remain. Surgical repair for SUI can result in temporary VD in the minority of patients, highlighting the complex interplay that is emerging in the urethral bladder functioning complex in women.

Conclusions

Women with impaired bladder emptying present with a wide range of LUTS, and PVR measurement is essential for diagnosis. OAB and VD can clearly coexist and accurate diagnosis of underlying pathophysiology is required. Recommendations for clinical practice and research are provided including: investigation of VD in women with OAB; evaluation of PVR values to determine appropriate therapy and identification of BOO. There is clearly a need for further research into the impact of alpha‐blockers in women with VD as well as an evaluation of PVR changes in women with OAB before and after antimuscarinic therapy. Neurourol. Urodynam. 31:422–428, 2012. © 2012 Wiley Periodicals, Inc.
Cardiac biometry and function in euploid fetuses with intracardiac echogenic foci
Authors: Facio María C. , Hervías‐Vivancos Blas , Broullón José Román , Avila José , Fajardo‐Expósito María A. , Bartha José L.
Published: March 2012

Objective

To compare cardiac biometry and function between fetuses with and without intracardiac echogenic foci (ICEF).

Methods

One hundred and fifty‐two fetuses with ICEF were compared with 104 controls. Diastolic ventricular transverse diameters, systolic aortic and pulmonary diameters and interventricular septum were measured. Doppler measurements included pulmonary artery and aortic maximum systolic velocities, time to peak, velocity time integral and atrioventricular E/A ratios.

Results

Only A wave in the mitral valve was slightly but significantly higher in the ICEF group (0.45 ± 0.07 m/s vs 0.43 ± 0.08 m/s, p = 0.03), but mitral E/A ratio was similar in both groups (0.61 ± 0.06 vs 0.60 ± 0.07, p = 0.22). There were no statistically significant differences in the rest of the studied variables between the two groups.

Conclusion

Fetuses with ICEF do not have relevant abnormalities in either cardiac biometry or function. We suggest the presence of an isolated ICEF should not be an indication for fetal echocardiography as long as fetal morphology scan had been performed and revealed no other findings. © 2012 John Wiley & Sons, Ltd.
Fetal reduction of triplet pregnancy: one or two?
Authors: Kuhn‐Beck F. , Moutel G. , Weingertner A. S. , Kohler M. , Hornecker F. , Hunsinger M. C. , Kohler A. , Mager C. , Neumann M. , Nisand I. , Favre R.
Published: March 2012

Objective

To review outcomes following reductions in trichorionic triplet pregnancies at our institution.

Method

Retrospective analysis of the outcome of trichorionic triamniotic triplets reduced to singletons (group I, n = 44) or twins (group II, n = 136) at 10 and 12 weeks of gestation.

Results

Reduction to one or two was based on parent's preference, hence unrelated to any specific obstetrical or maternal issue. Early fetal loss rate (e.g. <24 weeks) was 9.1% in group I versus 5.1% in group II (p = 0.83). In group I, the take‐home baby rate was 86.4% versus 91.9% in group II (p = 0.8). In group I, 17.5% of the women gave birth between 33 and 36+6 weeks of gestation versus 40.6% in group II (p = 0.026). Delivery beyond 37 weeks was 72.5% in group I and 46.9% in group II (p = 0.01). Intrauterine growth restriction rate was 27.0% in group I versus 45.0% in group II (p = 0.049).

Conclusion

Reduction to one rather than two fetuses led to significantly higher term delivery rate without significant differences in fetal loss rate or take‐home baby rate. © 2012 John Wiley & Sons, Ltd.
Evaluation of placental syndecan‐1 expression in early pregnancy as a predictive fetal factor for pregnancy outcome
Authors: Schmedt Anna , Götte Martin , Heinig Jörg , Kiesel Ludwig , Klockenbusch Walter , Steinhard Johannes
Published: March 2012

Objective

Early expression of syndecan‐1, a regulator of growth factor and chemokine function, in animal and human abortuses or placenta at delivery suggests a potential role during embryonic development. The aim of this study was to examine the correlation between early placental syndecan expression and fetal outcome in ongoing pregnancies.

Methods

Prospective immunohistochemical analysis of 203 chorionic villus sampling specimens obtained during a 4‐year period (2001–2004). The chorionic villi were processed for paraffin‐embedded immunohistochemistry. Scores of intensity of syndecan‐1 expression in chorionic villi were correlated with maternal cofactors and pregnancy outcome.

Results

Syndecan‐1 immunostaining was significantly related to villus size, maternal tobacco use, and fetal biometry at ultrasonography. After correcting the above confounders, scores of syndecan‐1 expression correlated with preterm birth and low birth weight.

Conclusions

Placental syndecan‐1 expression is associated with premature birth and fetal growth. © 2012 John Wiley & Sons, Ltd.
Can anomalies of fetal brain circulation be useful in the management of growth restricted fetuses?
Authors: Hernandez‐Andrade Edgar , Benavides Serralde Jesus Andres , Cruz‐Martinez Rogelio
Published: March 2012

Assessment of the fetal cerebral circulation provides important information on the hemodynamic changes associated with chronic hypoxia and intrauterine growth restriction. Despite the incorporation of new US parameters, the landmark for the fetal brain hemodynamic evaluation is still the middle cerebral artery. However, new vascular territories, such as the anterior and posterior cerebral arteries, might provide additional information on the onset of the brain sparing effect. The fractional moving blood volume estimation and three‐dimensional power Doppler ultrasound indices are new techniques that seem to be promising in indentifying cases at earlier stages of vascular deterioration; still, they are not available for clinical application and more information is needed on the reproducibility and advantages of three‐dimensional power Doppler ultrasound blood flow indices. In the past, the brain sparing effect was considered as a protective mechanism; however, recent information challenges this concept. There is growing evidence of an association between brain sparing effect and increased risk of abnormal neurodevelopment after birth. Even in mild late‐onset intrauterine growth restriction affected fetuses with normal umbilical artery blood flow, increased cerebral blood perfusion can be associated with a substantial risk of abnormal neuroadaptation and neurodevelopment during childhood. © 2012 John Wiley & Sons, Ltd.
Klinefelter twins presenting with discordant aneuploidies, acardia, forked umbilical cord and with different gonadal sex despite monozygosity
Authors: Rehder Helga , Schoner Katharina , Kluge Britta , Louwen Frank , Schwinger Eberhard , Neesen Juergen
Published: March 2012

Objective

A higher frequency of twin births in sibships of Klinefelter syndrome patients and also monozygotic or dizygotic twins, themselves being affected by Klinefelter syndrome have been noted repeatedly. To address this issue, we evaluated type and frequency of twinning among Klinefelter fetuses that we had received for autopsy within a ‘Prenatal Diagnosis’ program.

Method

We performed fetal autopsies, and genetic analyses on DNA extracted from stained histological slides.

Results

Among 41 prenatal diagnoses of a 47, XXY karyotype we observed four twin pairs. One was dizygotic with discordant Klinefelter and Down syndrome. Three twin pairs were monozygotic as concluded from monochorial placentation. In two monozygotic pairs one twin partner was an acardiac monster and in one of these the acardiac twin showed a female gonadal sex and missing Y‐chromosomal SRY‐sequences as confirmed by polymerase chain reaction.

Conclusions

There is a high rate of twinning and twin reversed arterial perfusion sequence among our Klinefelter fetuses. Forked umbilical cords at the placental insertion site in one case allowed classification as conjoined twins in the sense of a ‘funiculopagus’. Anaphase lagging or semidizygosity by second polar body twinning are proposed as explanations for the gonadal sex discordance and the excessive developmental disadvantage in the one acardiac. Problems may arise with regard to non‐invasive prenatal diagnosis of aneuploidies in twin pregnancies. © 2012 John Wiley & Sons, Ltd.
Control of the anisotropic morphology of latex nanocomposites containing single montmorillonite clay particles prepared by conventional and reversible addition‐fragmentation chain transfer based emulsion polymerization
Authors: Mballa Mballa Monique A , Ali Syed I , Heuts Johan PA , van Herk Alex M
Published: March 2012

Single montmorillonite platelets have been successfully encapsulated by polymer through both a conventional and a reversible addition‐fragmentation chain transfer (RAFT) based emulsion polymerization. For both synthetic methods, the encapsulation process basically consisted of three steps: (i) adsorption of cationic RAFT copolymers (RAFT approach) or surfactant (conventional approach); (ii) high shear dispersion of the stabilized clay in aqueous solutions; (iii) starved‐feed addition of monomers starting the polymerization. In the conventional approach, the morphology of the latex/clay nanocomposites was close to the dumbbell shapes previously reported and did not depend on the presence of organic modifier as evidenced by cryotransmission electron microscopy and scanning electron microscopy. In the RAFT approach a completely different morphology was obtained which has been coined the cornflake morphology. With these two new approaches we can control the orientation of the clay platelets inside the latex particles which in turn can control the orientation of the clay platelets in a film. A perspective on possible applications of these different morphologies is given, e.g. their use in high barrier coatings. Copyright © 2012 Society of Chemical Industry
Absorption properties of organic tandem solar cells for different wavelengths by computational simulation
Authors: Namvar Maryam , Hatami Mohsene , Borhani Mahmud
Published: March 2012

In this work, we have been investigating an organic tandem solar cell composed of P3HT:PCBM and CuPc:C60 by using optical modeling and a simulation method to investigate the optimal design for different wavelengths. Energy dissipation flow per time is an important factor that can represent the absorption process in solar cells and plays an important role as a main source for exciton generation. The distribution of energy dissipation in terms of z, the distance in depth of the active‐layer thickness, was analyzed for the different wavelengths. From the simulation, photon‐absorbed profiles were derived in terms of front and back active‐layer thicknesses for different wavelengths. In ideal tandem solar cells, with a series configuration, each subcell must be engineered so that photocurrent can be accurately controlled by light absorption to balance the system. For this reason, in order to find the materials with appropriated absorption, we have identified a set of parameters including optical constants so that it gives an indication of the materials with desirable matching for an active layer with optimal thickness.
A convenient formula for sample size calculations in clinical trials with multiple co‐primary continuous endpoints
Authors: Sugimoto Tomoyuki , Sozu Takashi , Hamasaki Toshimitsu
Published: March 2012

The clinical efficacy of a new treatment may often be better evaluated by two or more co‐primary endpoints. Recently, in pharmaceutical drug development, there has been increasing discussion regarding establishing statistically significant favorable results on more than one endpoint in comparisons between treatments, which is referred to as a problem of multiple co‐primary endpoints. Several methods have been proposed for calculating the sample size required to design a trial with multiple co‐primary correlated endpoints. However, because these methods require users to have considerable mathematical sophistication and knowledge of programming techniques, their application and spread may be restricted in practice. To improve the convenience of these methods, in this paper, we provide a useful formula with accompanying numerical tables for sample size calculations to design clinical trials with two treatments, where the efficacy of a new treatment is demonstrated on continuous co‐primary endpoints. In addition, we provide some examples to illustrate the sample size calculations made using the formula. Using the formula and the tables, which can be read according to the patterns of correlations and effect size ratios expected in multiple co‐primary endpoints, makes it convenient to evaluate the required sample size promptly. Copyright © 2012 John Wiley & Sons, Ltd.
Coherent states as consequences of keto‐amino→ enol‐imine hydrogen bond arrangements driven by quantum uncertainty limits on amino DNA protons
Authors: Cooper W. Grant
Published: March 2012

Experimental and theoretical evidence supporting the Löwdin model of DNA specificity is presented. Molecular genetic measurements by the transcriptase demonstrate that time‐dependent point lesions, G‐C → G′‐C′ and G‐C → *G‐*C, are consequences of keto‐amino → enol‐imine arrangement. Product enol‐imine protons are shared between two sets of indistinguishable electron lone‐pairs, and thus, participate in coupled quantum oscillation at frequencies of ∼1013s−1. Transcriptase genetic specificity is determined by components contributing to the formation of complementary hydrogen bonds, which in these cases are variable because of coupled quantum oscillations. In an interval Δt< 10−13s, genetic specificities are measured and executed before an entanglement is created between coherent protons and the transcriptase. The ensuing entanglement causes a decoherent transition from quantum to classical, yielding a statistical ensemble of decohered enol and imine isomers that participate in Topal–Fresco substitution replication. Coherent states within *A‐*T sites are deleted. Using approximate quantum methods for timest< ∼ 100 years, the probability,P(t), of keto‐amino → enol‐imine arrangement is$ {\rm P}_\rho (t) = {\raise0.5ex\hbox{$\scriptstyle 1$} \kern-0.1em/\kern-0.15em \lower0.25ex\hbox{$\scriptstyle 2$}}(\gamma _\rho /\hbar )^2 t^2 $where γρis the energy shift between states. This model illustrates biological consequences of coherent states populating inherited (CAG)nrepeats in human genomes. © 2012 Wiley Periodicals, Inc.