bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis of Tetrasubstituted Olefins by Palladium‐Catalyzed Double Heck Cycli­zation of Bromoenynes
Authors: Naveen Kanagaraj , Muralidharan Doraiswamy , Perumal Paramasivan Thirumalai
Published: January 2014

Palladium‐catalyzed regio‐ and stereoselective synthesis of tetrasubstituted olefins incorporating an indene scaffold was developed through 6‐exo‐dig carbocyclization followed by Heck cyclization with anti β‐hydrogen elimination. The starting materials for the domino reaction were designed through an A3‐coupling reaction.
An assessment of biodegradability of quaternary carbon–containing fragrance compounds: Comparison of experimental OECD screening test results and in silico prediction data
Authors: Seyfried Markus , Boschung Alain
Published: January 2014

An assessment of biodegradability was carried out for fragrance substances containing quaternary carbons by using data obtained from Organisation for Economic Co-operation and Development (OECD) 301F screening tests for ready biodegradation and from Biowin and Catalogic prediction models. Despite an expected challenging profile, a relatively high percentage of common-use fragrance substances showed significant biodegradation under the stringent conditions applied in the OECD 301F test. Among 27 test compounds, 37% met the pass level criteria after 28 d, while another 26% indicated partial breakdown (≥20% biodegradation). For several compounds for which structural analogs were available, the authors found that structures that were rendered less water soluble by either the presence of an acetate ester or the absence of oxygen tended to degrade to a lesser extent compared to the primary alcohols or oxygenated counterparts under the test conditions applied. Difficulties were encountered when attempting to correlate experimental with in silico data. Whereas the Biowin model combinations currently recommended by regulatory agencies did not allow for a reliable discrimination between readily and nonbiodegradable compounds, only a comparably small proportion of the chemicals studied (30% and 63% depending on the model) fell within the applicability domain of Catalogic, a factor that critically reduced its predictive power. According to these results, currently neither Biowin nor Catalogic accurately reflects the potential for biodegradation of fragrance compounds containing quaternary carbons. Environ Toxicol Chem 2014;33:1005–1016. © 2014 SETAC
Decorated plasterwork in the Alhambra investigated by Raman spectroscopy: comparative field and laboratory study
Authors: Dominguez‐Vidal A. , de la Torre‐López M. J. , Campos‐Suñol M. J. , Rubio‐Domene R. , Ayora‐Cañada M. J.
Published: January 2014

This work presents the results of the study of plasterwork decorations located on the stalactite vaults of the Hall of the Kings in the Alhambra (Granada, Spain) by means of Raman micro‐spectroscopy. Field investigations were carried out in situ using a portable Raman spectrometer during a conservation campaign in a completely non‐invasive manner. In addition, taking into account the results obtained, a well‐directed sampling was carried out to obtain complementary information by means of laboratory studies. Despite several practical problems during the non‐invasive field studies (like difficulties for probe positioning and vibrations of the scaffolding), almost all the pigments present in the decorations of the Hall were identified using excitation at 785 nm: cinnabar, minium, carbon black, natural lapis lazuli and synthetic ultramarine blue. In addition, evidence of different degradation mechanisms of the red pigments was obtained in situ. On the contrary, the identification of blue‐greenish and green pigments had to be performed on microsamples using a Raman microscope with excitation at 514 nm in the laboratory. In samples with blue and green areas, azurite severely degraded to clinoatacamite was identified. These were probably the remains of the oldest blue decorations. In addition, a technique for green decorations consisting on copper chlorides mixed with a small amount of lapis lazuli was identified. Other degradation products, identified in the laboratory regardless of the color of the pigment, were calcium oxalates. Finally, the laboratory studies also enabled the investigation of the stratigraphy of the pictorial layers. In this way, the presence of re‐decorations with overlaying layers of pigments even of different colors was revealed. Copyright © 2014 John Wiley & Sons, Ltd.
Dual Delivery of Vascular Endothelial Growth Factor and Hepatocyte Growth Factor Coacervate Displays Strong Angiogenic Effects
Authors: Awada Hassan K. , Johnson Noah R. , Wang Yadong
Published: January 2014

Controlled delivery of multiple growth factors (GFs) holds great potential for the clinical treatment of ischemic diseases and might be more therapeutically effective to reestablish vasculature than the provision of a single GF. Vascular endothelial growth factor (VEGF) and hepatocyte growth factor (HGF) are two potent angiogenic factors. However, due to rapid degradation and dilution in the body, their clinical potential will rely on an effective mode of delivery. A coacervate, composed of heparin and a biodegradable polycation, which protects GFs from proteolysis and potentiates their bioactivities, is developed. Here, the coacervate incorporates VEGF and HGF and sustains their release for at least three weeks. Their strong angiogenic effects on endothelial cell proliferation and tube formation in vitro are confirmed. Furthermore, it is demonstrated that coacervate‐based delivery of these factors has stronger effects than free application of both factors and to coacervate delivery of each GF separately.
New phase‐based B1 mapping method using two‐dimensional spin‐echo imaging with hyperbolic secant pulses
Authors: Lee Yoojin , Han Yeji , Park HyunWook , Watanabe Hidehiro , Garwood Michael , Park Jang‐Yeon
Published: January 2014

Purpose

To propose a new phase‐based B1‐mapping method that exploits phase information created by hyperbolic secant (HS) pulses in conventional 2D spin‐echo imaging.

Methods

In this B1‐mapping method, HS pulses are used to accomplish π/2 excitation and π refocusing in standard multislice spin‐echo imaging. When setting the ratio of pulse lengths of the π/2 and π HS pulses to 2:1, the spin‐echo phase is independent of offset frequency and varies as a function of B1 strength. To eliminate undesired phase accumulations induced by unknown factors other than the B1 strength, two spin‐echo images are acquired using HS pulses applied with opposite frequency‐sweep directions, and the resulting phase images are subtracted from each other. To demonstrate the performance of the proposed method, phantom and in vivo experiments were performed using a surface coil and a volume coil.

Results

The B1 maps obtained by using the proposed method were in accordance with the B1 maps obtained using previous methods in both phantom and in vivo experiments.

Conclusion

The proposed method is easy to implement without any sequence modification, is insensitive to B0 inhomogeneity and chemical shift, and is robust in a reasonably wide range of B1 field strength. Magn Reson Med 73:170–181, 2015. © 2014 Wiley Periodicals, Inc.
Tools of discovery
Authors: Lemberger Thomas
Published: January 2014

Molecular Systems Biology has transitioned to the new EMBO Press publishing platform to offer a richer and more transparent access to high‐quality research.
The Massachusetts school‐based body mass index experiment—gleaning implementation lessons for future childhood obesity reduction efforts
Authors: Stanford Fatima Cody , Taveras Elsie M.
Published: January 2014

In 2009, Massachusetts (MA) Department of Public Health (DPH) implemented new regulations that required public schools in the state to measure height and weight, determine body mass index (BMI), and notify parents of children in grades 1, 4, 7, and 10 of their child's weight status. After 3 years of implementation, MA DPH recently abandoned parental notification of school‐based BMI screening results citing several concerns including flaws in the ability to monitor the way that the BMI screening results were communicated from the schools to parents/guardians and some reports of breaches in confidentiality of students' measurements. In this article, we review implementation issues that could have impacted the success of the MA DPH regulation as well as lessons to be learned and potentially applied to future childhood obesity efforts.
UV resistance of encapsulated low molecular weight aromatic compounds in fluoroalkyl end‐capped trimethoxyvinylsilane oligomer/silica nanocomposites
Authors: Sawada Hideo , Oikawa Yuri , Matsuki Yusuke , Saito Tomoya
Published: January 2014

Sol–gel reactions of fluoroalkyl end‐capped trimethoxyvinylsilane oligomer in the presence of low molecular weight aromatic compounds (ArH) such as 1,1′‐bi(2‐naphthol) (BINOL) and 2‐hydroxy‐4‐methoxy benzophenone (HMB) were found to proceed smoothly under alkaline conditions at room temperature to give the corresponding fluorinated oligomeric silica nanocomposites‐encapsulated aromatic compounds (BINOL and HMB) [RF‐(VM‐SiO2)n‐RF/ArH nanocomposites]. UV light irradiation (λmax: 254 nm) toward RF‐(VM‐SiO2)n‐RF/ArH nanocomposites showed that photodegradation of encapsulated ArH was not observed at all in the fluorinated nanocomposites cores, although the parent ArH can exhibit an effective photodegradation behavior under similar conditions. Especially, encapsulated ArH can exhibit no weight loss corresponding to the contents of the aromatic compounds in the fluorinated nanocomposites even after calcination at 800°C. Therefore, fluoroalkyl end‐capped trimethoxyvinylsilane oligomer has high potential for not only the thermal resistance but also the UV resistance fluorinated polymeric materials. Copyright © 2014 John Wiley & Sons, Ltd.
Reinforcing epoxy resin through covalent integration of functionalized graphene nanosheets
Authors: Liu Fengdan , Guo Kunkun
Published: January 2014

A chemically converted graphene/epoxy (EP) resin nanocomposite has been developed through the use of the functionalized graphene nanosheets (FGNs). The FGNs were prepared via the reaction of amines with alkylcarboxyl groups attached to the graphite oxides in the course of a dicarboxylic acid acyl peroxide treatment. FGNs/EP composites were prepared by dissolving the FGNs in organic solvent followed by mixing with EP and curing agent. In this composite, the FGNs were able to create molecular entanglement with EP matrix by taking advantage of the reactions between amine groups of FGNs and EP groups of EP, thus the FGNs could be covalently integrated into the EP matrix and became part of the cross‐linked network structure rather than just a separated component. Great enhancement in the mechanical properties of the epoxy composite, such as the ultimate tensile strength and toughness, had been achieved with small loading (0.1 wt%) of FGNs by 17.0% and 262.2%, respectively. However, the FGNs reinforced EP composites showed a slight decrease in glass transition temperature (Tg). Copyright © 2014 John Wiley & Sons, Ltd.
Role of the Charged Particles in Bacteria Inactivation by Plasma of a Positive and Negative Corona in Ambient Air
Authors: Sysolyatina Elena , Mukhachev Andrey , Yurova Maria , Grushin Michael , Karalnik Vladimir , Petryakov Alexander , Trushkin Nikolay , Ermolaeva Svetlana , Akishev Yuri
Published: January 2014

Inactivation of microorganisms by plasma of a positive (PC) and negative corona (NC) discharge in air at atmospheric pressure was investigated. Gram‐positive bacteria Staphylococcus aureus and Gram‐negative bacteria Pseudomonas aeruginosa were chosen for the discharge inactivation. PC and NC produce three types of bactericidal agents, which are ultraviolet radiation (UV), neutral reactive species (R), and electric field and charged particles (E), respectively. We elucidated the contribution of each bioactive agent to the inactivation of S. aureus and P. aeruginosa. The influence of the charged particles in PC and NC on the cell inactivation is caused by different electrophysical effects, which lead nevertheless to an identical consequence: the cell membrane becomes more transparent for neutral reactive species. It gives additional possibility for neutral reactive species to increase the inactivation of cell by biochemical mechanisms. Due to that, total UV + R + E bactericidal effect in PC and NC is approximately the same and great – only a few tens of seconds is enough to inactivate completely S. aureus and P. aeruginosa cells.
Process safety leading indicators survey–February 2013: Center for chemical process safety–white paper
Authors: Kenan Stevick , Kadri Shakeel
Published: January 2014

This article provides an update on the Chemical Industries use, direction, and effectiveness of leading indicators and provides recommended leading indicators to help drive performance in a common direction. As the use of leading indicators is in its nascent stages, it is anticipated that additional surveys and updates will be published on a biannual basis. © 2014 American Institute of Chemical Engineers Process Saf Prog 33: 247–258, 2014
Modelling the potential distribution of Bemisia tabaci in Europe in light of the climate change scenario
Authors: Gilioli Gianni , Pasquali Sara , Parisi Simone , Winter Stephan
Published: January 2014

BACKGROUND

Bemisia tabaci is a serious pest of agricultural and horticultural crops in greenhouses and fields around the world. This paper deals with the distribution of the pest under field conditions. In Europe, the insect is currently found in coastal regions of Mediterranean countries where it is subject to quarantine regulations. To assess the risk presented by B. tabaci to Europe, the area of potential establishment of this insect, in light of the climate change scenario, was assessed by a temperature‐dependent physiologically based demographic model (PBDM).

RESULTS

The simulated potential distribution under current climate conditions has been successfully validated with the available field records of B. tabaci in Europe. Considering climate change scenarios of +1 and +2 °C, range expansion by B. tabaci is predicted, particularly in Spain, France, Italy, Greece and along the Adriatic coast of the Balkans. Nonetheless, even under the scenario of +2 °C, northern European countries are not likely to be at risk of B. tabaci establishment because of climatic limitations.

CONCLUSION

Model validation with field observations and evaluation of uncertainties associated with model parameter variability support the reliability of model results. The PBDM developed here can be applied to other organisms and offers significant advantages for assessing the potential distribution of invasive species. © 2014 Society of Chemical Industry
Interaction of protamine with gram‐negative bacteria membranes: possible alternative mechanisms of internalization in Escherichia coli, Salmonella typhimurium and Pseudomonas aeruginosa
Authors: Pink David. A. , Hasan Fida M. , Quinn Bonnie E. , Winterhalter Mathias , Mohan Mukund , Gill Tom A.
Published: January 2014

This study was concerned with the interaction between the cationic antimicrobial peptide, protamine (Ptm) and the cytoplasmic membranes of the gram‐negative bacteria Escherichia coli, Salmonella typhimurium and Pseudomonas aeruginosa. The objective of the study was to explain the observed paradox of internalization without permanent disruption of the cell envelope. We carried out Monte Carlo computer simulation of Ptm in an aqueous environment in the presence of ~100 mM NaCl and model membranes consisting of either (65:35) or (75:25) PE:PG molar ratios. The (75:25) model, representative of the gram‐negative cytoplasmic membrane, showed that the Ptm center of mass remained at least 7 nm from the membrane surface leading to the prediction that Ptm would not internalize via disruption of the inner membrane.

By using immunoelectron microscopy of Ptm‐treated cells, we showed that Ptm internalization to the cytoplasm took place rapidly in the presence or absence of the outer envelope. Ultrastructural examination revealed no obvious morphological changes to cells that were treated with subinhibitory or bactericidal levels of Ptm. Reconstituted phospholipid bilayers were constructed and were unperturbed by Ptm treatment over a wide range of concentrations and applied transmembrane voltages. We conclude that in the cases of the cell envelopes of E. coli, S. typhimurium and P. aeruginosa, Ptm internalized by means independent of the phospholipid bilayer, most likely mediated by one or more membrane proteins such as cation‐selective barrel‐like proteins. Work is currently underway to test this hypothesis. © 2014 The Authors. Journal of Peptide Science published by John Wiley & Sons, Ltd.
Measurement of electric field enhanced optical absorption in hydrogenated amorphous silicon
Authors: Pirc Matija , Furlan Jože , Levstek Andrej , Topič Marko
Published: January 2014

Optical properties of amorphous semiconductors are influenced by applied or built‐in electric fields. Measurements of the optical absorption change of device grade intrinsic hydrogenated amorphous silicon were performed indirectly by measuring the optical transmission of the samples with and without an applied DC electric field. Effects of ambient temperature changes were limited by strict control of the ambient temperature. Temperature effects caused by self‐heating of the samples were compensated in two different ways to ensure the validity of the results. The influence of temperature change on optical absorption was identified and compensated by the analysis of measurements of multiple samples with different levels of power dissipation brought about by sample conductivity variations. The second method of temperature compensation consisted of determining the temperature change of each sample during the measurements, modelling absorption coefficient change caused by the temperature change and by subtracting the calculated absorption change caused by the temperature change from the measured absorption change. Results of both methods of temperature compensation are in good agreement. The obtained results are also in agreement with the results of other researchers up to photon energies slightly above the mobility edge, where our measurements exhibit a slightly different dependency on photon energy than previously published measurements. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Analysis of carrier injection in Si nanoparticle‐SiOx film based MOS devices
Authors: Jacques E. , Pichon L. , Labbe C. , Khomenkova L. , Gourbilleau F.
Published: January 2014

The electrical properties of silicon rich oxide (SRO) layers integrated in metal‐oxide‐semiconductor device are analysed. The layers are deposited using the magnetron co‐sputtering of a pure SiO2 and Si targets under a pure argon plasma. Each SRO layer embedding silicon nanoparticles (Si‐np‐SiOx) was subsequently submitted to an optimized annealing treatment. Three types of Al/Si‐np‐SiOx/p‐Si devices are fabricated with different incorporated silicon excesses (9, 11, or 16 at.%) in the active layer. Analysis of static electrical properties of the devices showed a semi‐resistive behaviour for each device. Carrier injection into the SiOx matrix in terms of Poole‐Frenkel and Fowler‐Nordheim mechanisms is analysed in relation with the incorporated silicon excess. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Structures with two‐dimensional distributed feedback for a laser realization on Si:Er basis
Authors: Stepikhova Margarita , Baryshev Vladimir , Ginzburg Naum , Vdovichev Sergey , Gribkov Boris , Klimov Alexander , Krasilnik Zachary
Published: January 2014

Using 2D distributed feedback (DFB) exploiting 2D Bragg resonators for a Si:Er lasers is suggested. Self excitation conditions are defined analytically. Numerical simulation of the nonlinear dynamics demonstrates that 2D DFB can provide synchronization of radiation for wide active media. A test laser‐like Si/SOI structure is fabricated and described. (© 2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Experimental investigations on the punching behaviour of reinforced concrete footings with structural dimensions
Authors: Siburg Carsten , Hegger Josef
Published: January 2014

Punching tests on 13 specimens under uniform soil pressure were conducted to evaluate the punching shear behaviour of footings with practical dimensions. The test series included square footings with and without punching shear reinforcement. The dimensions of the footings varied between 1.20 × 1.20 m and 2.70 × 2.70 m and the slab thickness varied between 0.45 and 0.65 m, resulting in shear span‐depth ratios aλ/d between approx. 1.25 and 2.00.

In addition to the measured steel strains in the flexural reinforcement and the stirrups, the increase in the slab thickness as well as the saw‐cuts were examined to investigate the internal cracking and failure characteristic. In combination with previous tests conducted at RWTH Aachen University, this test series permits a description of the effect of the main parameters on the punching shear strength of footings. These parameters are the size effect of the effective depth, the concrete compressive strength, the flexural reinforcement ratio and the punching shear reinforcement.
Towards a reliability‐based post‐fire assessment method for concrete slabs incorporating information from inspection
Authors: Van Coile Ruben , Caspeele Robby , Taerwe Luc
Published: January 2014

After a concrete structure has been exposed to fire, a combination of destructive and non‐destructive testing, expert judgment and calculations is used to decide whether the structure should be demolished or repaired, or can continue to be used without repairs or rehabilitation. However, there are many uncertainties associated with both the fire duration and the effect of elevated temperatures on the residual mechanical properties of the materials. Consequently, the maximum service load after fire exposure should be assessed based on reliability considerations in order to provide an adequate level of safety. As this type of calculation is too complex and time‐consuming for practical use, a reliability‐based assessment tool has been developed for concrete structures and applied to slabs to determine the maximum service load after fire. When using the proposed method, a safety level is targeted which is comparable with the safety level associated with the Eurocode format for the design of new structures. It is concluded that the proposed assessment method is both user‐friendly and directly applicable in practice.
Small RNAs in the Vibrionaceae: an ocean still to be explored
Authors: Nguyen An , Jacq Annick
Published: January 2014

In bacteria, the discovery of noncoding small RNAs (sRNAs) as modulators of gene expression in response to environmental signals has brought new insights into bacterial gene regulation, including control of pathogenicity. The Vibrionaceae constitute a family of marine bacteria of which many are responsible for infections affecting not only humans, such as Vibrio cholerae but also fish and marine invertebrates, representing the major cause of mortality in farmed marine species. They are able to colonize many habitats, existing as planktonic forms, in biofilms or associated with various hosts. This high adaptability is linked to their capacity to generate genetic diversity, in part through lateral gene transfer, but also by varying gene expression control. In the recent years, several major studies have illustrated the importance of small regulatory sRNAs in the Vibrionaceae for the control of pathogenicity and adaptation to environment and nutrient sources such as chitin, especially in V. cholerae and Vibrio harveyi. The existence of a complex regulatory network controlled by quorum sensing has been demonstrated in which sRNAs play central roles. This review covers major advances made in the discovery and elucidation of functions of Vibrionaceae sRNAs within the last 10 years.

This article is categorized under:

Regulatory RNAs/RNAi/Riboswitches > Regulatory RNAs
Preparation and Crystal Structure of Ba4MgF2(CN2)4
Authors: Olivé Corral Anna , Kubus Mariusz , Ströbele Markus , Meyer H.‐Jürgen
Published: January 2014

Ba4MgF2(CN2)4 was prepared by solid state metathesis reaction from metal fluorides and sodium carbodiimide in a fused copper ampoule at 650 °C. The crystal structure was refined by single‐crystal X‐ray diffraction in the space group P21/c with unit cell dimensions a = 835.1(2) pm, b = 861.7(1) pm, c = 844.2(2) pm, and β = 109.09(2)°. A characteristic feature in the crystal structure of Ba4MgF2(CN2)4 is the two‐dimensional arrangement of infinite [Mg(CN2)4/2(CN2)2] layers along the bc plane of the structure. Barium and fluoride ions are situated in‐between these layers.
Altered proteostasis in aging and heat shock response in C. elegans revealed by analysis of the global and de novo synthesized proteome
Authors: Liang Vanessa , Ullrich Milena , Lam Hong , Chew Yee Lian , Banister Samuel , Song Xiaomin , Zaw Thiri , Kassiou Michael , Götz Jürgen , Nicholas Hannah R.
Published: January 2014

Protein misfolding and aggregation as a consequence of impaired protein homeostasis (proteostasis) not only characterizes numerous age-related diseases but also the aging process itself. Functionally related to the aging process are, among others, ribosomal proteins, suggesting an intimate link between proteostasis and aging. We determined by iTRAQ quantitative proteomic analysis inC. eleganshow the proteome changes with age and in response to heat shock. Levels of ribosomal proteins and mitochondrial chaperones were decreased in aged animals, supporting the notion that proteostasis is altered during aging. Mitochondrial enzymes of the tricarboxylic acid cycle and the electron transport chain were also reduced, consistent with an age-associated energy impairment. Moreover, we observed an age-associated decline in the heat shock response. In order to determine how protein synthesis is altered in aging and in response to heat shock, we complemented our global analysis by determining the de novo proteome. For that, we established a novel method that enables both the visualization and identification of de novo synthesized proteins, by incorporating the non-canonical methionine analogue, azidohomoalanine (AHA), into the nascent polypeptides, followed by reacting the azide group of AHA by ‘click chemistry’ with an alkyne-labeled tag. Our analysis of AHA-tagged peptides demonstrated that the decreased abundance of, for example, ribosomal proteins in aged animals is not solely due to degradation but also reflects a relative decrease in their synthesis. Interestingly, although the net rate of protein synthesis is reduced in aged animals, our analyses indicate that the synthesis of certain proteins such as the vitellogenins increases with age.
A phase 1, open-label, dose-escalation study of BIIB022 (anti-IGF-1R monoclonal antibody) in subjects with relapsed or refractory solid tumors
Authors: von Mehren Margaret , Britten Carolyn D. , Pieslor Peter , Saville Wayne , Vassos Artemios , Harris Sarah , Galluppi Gerald R. , Darif Mohamed , Wainberg Zev A. , Cohen Roger B. , Leong Stephen
Published: January 2014

Purpose The IGF-1R signaling pathway has been implicated in multiple cancers as important for cell survival, proliferation, invasion and metastasis. BIIB022 is a non-glycosylated human IgG4 monoclonal antibody (mAb) with specificity for IGF-1R. Unlike other anti-IGF1R antibodies, BIIB022 has no effector functions. Additionally, inhibition is via an allosteric rather than competitive mechanism, which further differentiates this antibody from others. We sought to determine the safety and tolerability of BIIB022 and determine the pharmacokinetic (PK) and pharmacodynamic (PD) profile of this antibody. Methods A multi-institutional phase I study evaluated the safety of escalating doses of BIIB022 given IV q3wk until progression or unacceptable toxicity in patients with advanced solid tumors. Five sequential BIIB022 dose cohorts were evaluated using a standard 3 + 3 dose-escalation design (1.5, 5. 10, 20, 30 mg/kg); 10 additional patients were treated at the recommended phase 2 dose. Results 34 patients were treated. Toxicities were manageable and mostly low grade; grade 3–4 hyperglycemia was not observed. No RECIST responses were observed, although three patients had metabolic responses associated with prolonged stable disease. The PK of BIIB022 was nearly linear in the dose range from 10 to 30 mg/kg, with some nonlinearity at lower doses (1.5–5.0 mg/kg), likely due to target-mediated drug disposition of BIIB022 at low serum concentrations. PD analyses showed decrease in IGF-1R levels on leucocytes, with stable serum values of IGF-1 and IGF-2. Conclusions BIIB022 can be safely given at 30 mg/kg IV every 3 weeks with preliminary evidence of biological activity in selected patients.
NMR analyses on the interactions of the yeast Tim50 C‐terminal region with the presequence and Tim50 core domain
Authors: Rahman Bytul , Kawano Shin , Yunoki-Esaki Kaori , Anzai Takahiro , Endo Toshiya
Published: January 2014

The mitochondrial targeting signal in the presequence of mitochondrial precursor proteins is recognized by Tom20 and subsequently by Tim50 in mitochondria. Yeast Tim50 contains two presequence binding sites in the conserved core domain and in the fungi‐specific C‐terminal presequence binding domain (PBD). We report the NMR analyses on interactions of a shorter variant of PBD (sPBD), a shorter variant of PBD, with presequences. The presequence is recognized by sPBD in a similar manner to Tom20. sPBD can also bind to the core domain of Tim50 through the presequence binding region, which could promote transfer of the presequence from sPBD to the core domain in Tim50.
Protein phosphatase 2A regulates deoxycytidine kinase activity via Ser‐74 dephosphorylation
Authors: Amsailale Rachid , Beyaert Maxime , Smal Caroline , Janssens Veerle , Van Den Neste Eric , Bontemps Françoise
Published: January 2014

Deoxycytidine kinase (dCK) is a critical enzyme for activation of anticancer nucleoside analogs. Its activity is controlled via Ser‐74 phosphorylation. Here, we investigated which Ser/Thr phosphatase dephosphorylates Ser‐74. In cells, the PP1/PP2A inhibitor okadaic acid increased both dCK activity and Ser‐74 phosphorylation at concentrations reported to specifically target PP2A. In line with this, purified PP2A, but not PP1, dephosphorylated recombinant pSer‐74‐dCK. In cell lysates, the Ser‐74‐dCK phosphatase activity was found to be latent, Mn2+‐activated, responsive to PP2A inhibitors, and diminished after PP2A‐immunodepletion. Use of siRNAs allowed concluding definitively that PP2A constitutively dephosphorylates dCK in cells and negatively regulates its activity.
Hepatitis B virus X increases immune cell recruitment by induction of chemokine SDF‐1
Authors: Cho Hyun Kook , Kim So Young , Seong Je Kyung , Cheong JaeHun
Published: January 2014

Hepatitis B virus X protein is a major factor in the HBV‐induced disease developments. Stromal cell‐derived factor‐1 is a small cytokine that is strongly chemotactic for lymphocytes. We explored the role of HBx on recruitment of HBV‐induced virus‐nonspecific immune cells into liver. Immune cell recruitment and SDF‐1 expression level significantly increased in livers of HBx‐transgenic mice and X‐box binding protein‐1 significantly increased SDF‐1 gene expression. Finally, we confirmed that immune cell recruitment into liver tissues of HBx‐TG mice was diminished by a chemokine receptor antagonist. Therefore, HBx increases ER stress‐dependent SDF‐1 expression and induces HBV‐induced immune cell recruitment into liver.
GC content fluctuation around plant small RNA‐generating sites
Authors: Zhang Yu , Yan Chenghuan , Kuang Hanhui
Published: January 2014

GC content of small RNA‐generating sites and their flanking sequences in Arabidopsis thaliana and rice was systematically analyzed in silico. High GC content fluctuation (GCF) is observed at the borders of sRNA sites, while the GCF within sRNA sites is low. Furthermore, the GC content along sequences of some miniature inverted‐repeat transposable element (MITE) families coincides with the abundance of MITE‐derived small RNAs. The GCF within tasiRNA clusters is negatively correlated with its phasing score. We conclude that high GC content and low GCF could increase the expression of small RNA. Our results provide further insights on small RNA expression, which may be applied to improve the silencing efficiency of RNAi and virus‐induced gene silencing.
Transcription factor AP‐2delta regulates the expression of polysialyltransferase ST8SIA2 in chick retina
Authors: Li Xiaodong , Persad Amit R.L. , Monckton Elizabeth A. , Godbout Roseline
Published: January 2014

The AP‐2δ transcription factor is restricted to a subset of retinal ganglion cells. Overexpression of AP‐2δ in chick retina results in induction of polysialylated neural cell adhesion molecule (PSA‐NCAM) accompanied by misrouting and bundling of ganglion cell axons. Two polysialyltransferases, ST8SIA2 and ST8SIA4, are responsible for polysialylation of NCAM. Here, we investigate the mechanism driving the increase in PSA‐NCAM observed upon AP‐2δ overexpression. We show that ST8SIA2 is induced by AP‐2δ overexpression in chick retina. We use chromatin immunoprecipitation and gel shift assays to demonstrate direct interaction between AP‐2δ and the ST8SIA2 promoter. We propose that up‐regulation of ST8SIA2 upon AP‐2δ overexpression in retina increases ectopic polysialylation of NCAM which in turn causes premature bundling of axons and alters axonal response to guidance cues.
A life-course approach to healthy ageing: maintaining physical capability
Authors: Kuh Diana , Karunananthan Sathya , Bergman Howard , Cooper Rachel
Published: January 2014

Research on healthy ageing lacks an agreed conceptual framework and has not adequately taken into account the growing evidence that social and biological factors from early life onwards affect later health. We conceptualise healthy ageing within a life-course framework, separating healthy biological ageing (in terms of optimal physical and cognitive functioning, delaying the onset of chronic diseases, and extending length of life for as long as possible) from changes in psychological and social wellbeing. We summarise the findings of a review of healthy ageing indicators, focusing on objective measures of physical capability, such as tests of grip strength, walking speed, chair rises and standing balance, which aim to capture physical functioning at the individual level, assessing the capacity to undertake the physical tasks of daily living. There is robust evidence that higher scores on these measures are associated with lower rates of mortality, and more limited evidence of lower risk of morbidity, and of age-related patterns of change. Drawing on a research collaboration of UK cohort studies, we summarise what is known about the influences on physical capability in terms of lifetime socioeconomic position, body size and lifestyle, and underlying physiology and genetics; the evidence to date supports a broad set of factors already identified as risk factors for chronic diseases. We identify a need for larger longitudinal studies to investigate age-related change and ethnic diversity in these objective measures, the dynamic relationships between them, and how they relate to other component measures of healthy ageing. Robust evidence across cohort studies, using standardised measures within a clear conceptual framework, will benefit policy and practice to promote healthy ageing.
A hierarchical approach to sustainable agriculture
Authors: Lowrance Richard , Hendrix Paul F. , Odum Eugene P.
Published: January 2014

“Sustainable agriculture” means many things to different people in agriculture. At least three different definitions of sustainability are available: sustainability as food sufficiency; sustainability as stewardship; and sustainability as community. Since increased human populations will cause demands for food to continue to grow in the foreseeable future, agricultural sustainability needs to be assessed in ways that will incorporate competing definitions. We suggest that analyzing agriculture as a hierarchical system is the appropriate way to incorporate different concepts of sustainability. Using this concept, we propose a hierarchical definition of sustainability. Agronomic sustainability refers to the ability of a tract of land to maintain productivity over a long period of time. Microeconomic sustainability is dependent on the ability of the farm, as the basic economic unit, to stay in business. Ecological sustainability depends on the maintenance of life-support systems provided by non-agricultural and non-industrial segments of a region. Macroeconomic sustainability is controlled by factors such as fiscal policies and interest rates which determine the viability of national agriculture systems. In our view, there are critical constraints to sustainability at different scales of the agricultural hierarchy. We propose that agronomic constraints are most important at the field scale; microeconomic constraints are dominant at the farm scale; ecological constraints override at the watershed or landscape scale; and macroeconomic constraints are foremost at the regional and national scale. In this paper, we describe the actions of these critical constraints, discuss interactions among various hierarchical levels, and propose ways that agricultural researchers and policy makers can integrate the various views of sustainability.
Explanation in the Social Sciences: Explanation and Understanding in Social Science
Authors: Skorupski John
Published: January 2014

Hempelian orthodoxy on the nature of explanation in general, and on explanation in the social sciences in particular, holds that

(a) full explanations are arguments

(b) full explanations must include at least one law

(c) reason explanations are causal

David Ruben disputes (a) and (b) but he does not dispute (c). Nor does he dispute that ‘explanations in both natural and social science need laws in other ways, even when not as part of the explanation itself (p. 97 above). The distance between his view and the covering law theory, he points out, ‘is not as great as it may first appear to be’ (p. 97 above).
A new biofilm-associated colicin with increased efficiency against biofilm bacteria
Authors: Rendueles Olaya , Beloin Christophe , Latour-Lambert Patricia , Ghigo Jean-Marc
Published: January 2014

Formation of bacterial biofilm communities leads to profound physiological modifications and increased physical and metabolic exchanges between bacteria. It was previously shown that bioactive molecules produced within the biofilm environment contribute to bacterial interactions. Here we describe new pore-forming colicin R, specifically produced in biofilms formed by the natural isolate Escherichia coli ROAR029 but that cannot be detected under planktonic culture conditions. We demonstrate that an increased SOS stress response within mature biofilms induces SOS-dependent colicin R expression. We provide evidence that colicin R displays increased activity against E. coli strains that have a reduced lipopolysaccharide length, such as the pathogenic enteroaggregative E. coli LF82 clinical isolate, therefore pointing to lipopolysaccharide size as an important determinant for resistance to colicins. We show that colicin R toxicity toward E. coli LF82 is increased under biofilm conditions compared with planktonic susceptibility and that release of colicin R confers a strong competitive advantage in mixed biofilms by rapidly outcompeting sensitive neighboring bacteria. This work identifies the first biofilm-associated colicin that preferentially targets biofilm bacteria. Furthermore, it indicates that the study of antagonistic molecules produced in biofilm and multispecies contexts could reveal unsuspected, ecologically relevant bacterial interactions influencing population dynamics in natural environments.
Links between plant and fungal communities across a deforestation chronosequence in the Amazon rainforest
Authors: Mueller Rebecca C , Paula Fabiana S , Mirza Babur S , Rodrigues Jorge L M , Nüsslein Klaus , Bohannan Brendan J M
Published: January 2014

Understanding the interactions among microbial communities, plant communities and soil properties following deforestation could provide insights into the long-term effects of land-use change on ecosystem functions, and may help identify approaches that promote the recovery of degraded sites. We combined high-throughput sequencing of fungal rDNA and molecular barcoding of plant roots to estimate fungal and plant community composition in soil sampled across a chronosequence of deforestation. We found significant effects of land-use change on fungal community composition, which was more closely correlated to plant community composition than to changes in soil properties or geographic distance, providing evidence for strong links between above- and below-ground communities in tropical forests.
Plasmonic-cavity model for radiating nano-rod antennas
Authors: Peng Liang , Mortensen N. Asger
Published: January 2014

In this paper, we propose the analytical solution of nano-rod antennas utilizing a cylindrical harmonics expansion. By treating the metallic nano-rods as plasmonic cavities, we derive closed-form expressions for both the internal and the radiated fields, as well as the resonant condition and the radiation efficiency. With our theoretical model, we show that besides the plasmonic resonances, efficient radiation takes advantage of (a) rendering a large value of the rods' radius and (b) a central-fed profile, through which the radiation efficiency can reach up to 70% and even higher in a wide frequency band. Our theoretical expressions and conclusions are general and pave the way for engineering and further optimization of optical antenna systems and their radiation patterns.
Computational Catalyst Screening
Authors: Grabow Lars C.
Published: January 2014

Computational screening of heterogeneous catalysts based on reactivity descriptors is a very powerful method for rapid identification of promising novel catalyst candidates. This chapter outlines the overall procedure based on literature examples and provides step-by-step instructions with solved numerical problems for NH3 synthesis and CO oxidation on transition metal surfaces. The theoretical foundation of the screening approach, including the d-band model, linear scaling relations, Sabatier analysis, basic microkinetic modeling and the analysis of such models, is explained at the level necessary for a novice to perform an independent screening study for other transition metal catalyzed reactions. More experienced readers may find the references for suggested additional literature and resources useful.
Computing Accurate Net Atomic Charges, Atomic Spin Moments, and Effective Bond Orders in Complex Materials
Authors: Manz Thomas A. , Sholl David S.
Published: January 2014

We summarize the computation of net atomic charges (NACs) and atomic spin moments (ASMs) using the recently developed density derived electrostatic and chemical (DDEC) method. This approach has three primary advantages: (a) it applies to both periodic and non-periodic systems, (b) it applies to systems with collinear or non-collinear magnetism as well as non-magnetic systems, and (c) it simultaneously optimizes the NACs to reproduce atomic chemical states in a material and the electrostatic potential outside the material's electron distribution. These properties make DDEC NACs suitable for constructing force-fields used in atomistic simulations. We also describe existing techniques for computing effective bond orders (EBOs) and the need to develop an improved method for computing EBOs in periodic materials. A variety of examples are used to demonstrate the procedures for computing NACs, ASMs, and EBOs from ab initio methods such as density functional theory (DFT) and coupled-cluster theory.
Simultaneous determination of hydroquinone and catechol in compost bioremediation using a tyrosinase biosensor and artificial neural networks
Authors: Yaoyu Zhou , Lin Tang , Guangming Zeng , Yi Zhang , Zhen Li , Yuanyuan Liu , Jun Chen , Guide Yang , Lu Zhou , Sheng Zhang
Published: January 2014

Selected current intensities of the differential pulse voltammetry from biosensor are taken as the input in the artificial neural networks. Appropriate weights and biases are applied by the learning algorithm until the targets are satisfied.
The corrole and ferrocene marriage: 5,10,15-triferrocenylcorrolato Cu
Authors: Pomarico Giuseppe , Vecchi Andrea , Mandoj Federica , Bortolini Olga , Cicero Daniel O. , Galloni Pierluca , Paolesse Roberto
Published: January 2014

Two synthetic routes have been defined for the preparation of a 5,10,15-triferrocenylcorrole Cu derivative and preliminary electronic properties were investigated.
Electrodeposition of Ag nanosheet-assembled microsphere@Ag dendrite core–shell hierarchical architectures and their application in SERS
Authors: Li Xiaodan , Li Meicheng , Cui Peng , Zhao Xing , Gu Tiansheng , Yu Hang , Jiang Yongjian , Song Dandan
Published: January 2014

Ag nanosheet-assembled microsphere@Ag dendrite core–shell hierarchical architectures with excellent SERS performance are successfully synthesized.
Pre-nucleation clusters as solute precursors in crystallisation
Authors: Gebauer Denis , Kellermeier Matthias , Gale Julian D. , Bergström Lennart , Cölfen Helmut
Published: January 2014

We review evidence for phase separationviapre-nucleation clusters of the most common biominerals, as well as amino acids.
Narcissistic self-sorting vs. statistic ligand shuffling within a series of phenothiazine-based coordination cages
Authors: Frank Marina , Krause Lennard , Herbst-Irmer Regine , Stalke Dietmar , Clever Guido H.
Published: January 2014

The self-assembly of heterogeneous or homogeneous cages from a mixture of ligands is a function of the ligand length and reaction kinetics.
Syntheses, structures and electrochemical properties of a class of 1-D double chain polyoxotungstate hybrids [H2dap][Cu(dap)2]0.5[Cu(dap)2(H2O)][Ln(H2O)3(α-GeW11O39)]·3H2O
Authors: Zhao Jun-Wei , Li Yan-Zhou , Ji Fan , Yuan Jing , Chen Li-Juan , Yang Guo-Yu
Published: January 2014

A series of novel organic–inorganic hybrid 1-D double chain germanotungstates 1–7 are the first 1-D double-chain CuII–LnIII heterometallic germanotungstates.
Wiring zinc in three dimensions re-writes battery performance—dendrite-free cycling
Authors: Parker Joseph F. , Chervin Christopher N. , Nelson Eric S. , Rolison Debra R. , Long Jeffrey W.
Published: January 2014

Zinc-based replacements for Li-ion batteries are now feasible by using 3D-interconnected Zn sponges that suppress dendrite formation when cycled.