bluuebunny/crossref_metadata_2025 huggingface dataset:
Role of PARP activity in lung cancer‐induced cachexia: Effects on muscle oxidative stress, proteolysis, anabolic markers, and phenotype
Authors: Chacon‐Cabrera Alba , Mateu‐Jimenez Mercè , Langohr Klaus , Fermoselle Clara , García‐Arumí Elena , Andreu Antoni L. , Yelamos Jose , Barreiro Esther
Published: February 2017

Strategies to treat cachexia are still at its infancy. Enhanced muscle protein breakdown and ubiquitin‐proteasome system are common features of cachexia associated with chronic conditions including lung cancer (LC). Poly(ADP‐ribose) polymerases (PARP), which play a major role in chromatin structure regulation, also underlie maintenance of muscle metabolism and body composition. We hypothesized that protein catabolism, proteolytic markers, muscle fiber phenotype, and muscle anabolism may improve in respiratory and limb muscles of LC‐cachectic Parp‐1‐deficient (Parp‐1−/−) and Parp‐2−/− mice. In diaphragm and gastrocnemius of LC (LP07 adenocarcinoma) bearing mice (wild type, Parp‐1−/−, and Parp‐2−/−), PARP activity (ADP‐ribose polymers, pADPr), redox balance, muscle fiber phenotype, apoptotic nuclei, tyrosine release, protein ubiquitination, muscle‐specific E3 ligases, NF‐κB signaling pathway, markers of muscle anabolism (Akt, mTOR, p70S6K, and mitochondrial DNA) were evaluated along with body and muscle weights, and limb muscle force. Compared to wild type cachectic animals, in both respiratory and limb muscles of Parp‐1−/− and Parp‐2−/− cachectic mice: cancer induced‐muscle wasting characterized by increased PARP activity, protein oxidation, tyrosine release, and ubiquitin‐proteasome system (total protein ubiquitination, atrogin‐1, and 20S proteasome C8 subunit) were blunted, the reduction in contractile myosin and atrophy of the fibers was attenuated, while no effects were seen in other structural features (inflammatory cells, internal or apoptotic nuclei), and markers of muscle anabolism partly improved. Activation of either PARP‐1 or ‐2 is likely to play a role in muscle protein catabolism via oxidative stress, NF‐κB signaling, and enhanced proteasomal degradation in cancer‐induced cachexia. Therapeutic potential of PARP activity inhibition deserves attention.
Identifying relations between imaging phenotypes and molecular subtypes of breast cancer: Model discovery and external validation
Authors: Wu Jia , Sun Xiaoli , Wang Jeff , Cui Yi , Kato Fumi , Shirato Hiroki , Ikeda Debra M. , Li Ruijiang
Published: February 2017

Purpose

To determine whether dynamic contrast enhancement magnetic resonance imaging (DCE‐MRI) characteristics of the breast tumor and background parenchyma can distinguish molecular subtypes (ie, luminal A/B or basal) of breast cancer.

Materials and Methods

In all, 84 patients from one institution and 126 patients from The Cancer Genome Atlas (TCGA) were used for discovery and external validation, respectively. Thirty‐five quantitative image features were extracted from DCE‐MRI (1.5 or 3T) including morphology, texture, and volumetric features, which capture both tumor and background parenchymal enhancement (BPE) characteristics. Multiple testing was corrected using the Benjamini–Hochberg method to control the false‐discovery rate (FDR). Sparse logistic regression models were built using the discovery cohort to distinguish each of the three studied molecular subtypes versus the rest, and the models were evaluated in the validation cohort.

Results

On univariate analysis in discovery and validation cohorts, two features characterizing tumor and two characterizing BPE were statistically significant in separating luminal A versus nonluminal A cancers; two features characterizing tumor were statistically significant for separating luminal B; one feature characterizing tumor and one characterizing BPE reached statistical significance for distinguishing basal (WilcoxonP< 0.05, FDR < 0.25). In discovery and validation cohorts, multivariate logistic regression models achieved an area under the receiver operator characteristic curve (AUC) of 0.71 and 0.73 for luminal A cancer, 0.67 and 0.69 for luminal B cancer, and 0.66 and 0.79 for basal cancer, respectively.

Conclusion

DCE‐MRI characteristics of breast cancer and BPE may potentially be used to distinguish among molecular subtypes of breast cancer.

Level of Evidence:3

Technical Efficacy:Stage 3

J. Magn. Reson. Imaging 2017;46:1017–1027.
Cytokine Interferon‐γ suppresses the function of capsule myofibroblasts and induces cell apoptosis
Authors: Mattyasovszky Stefan G. , Mausbach Stefan , Ritz Ulrike , Wollstädter Jochen , Schmidtmann Irene , Baranowski Andreas , Drees Phillipp , Rommens Pol M. , Hofmann Alexander
Published: February 2017

Myofibroblasts (MFs), a contractile subset of fibroblasts, play a pivotal role in physiological wound healing and in the development of many fibroconnective disorders. The complex cytokine network regulating the function of MFs in joint stiffness is still poorly understood. In this in vitro study, we investigated the effect of the cytokine Interferon‐gamma (IFN‐γ) on MFs isolated from human joint capsules. MFs were cultivated either in the presence of increasing concentrations of IFN‐γ alone or in combination with IFN‐γ neutralizing antibodies. Cell viability, cytotoxicity, apoptosis, and mRNA gene expression of the MF markers alpha‐smooth muscle actin (α‐SMA) and collagen type I were analyzed in MF cultures. Contraction potential was analyzed in an established collagen gel contraction assay simulating the extracellular matrix. Using immunofluorescence staining, we could verify that MFs express IFN‐γ‐receptor (R)‐1 on their membrane. IFN‐γ decreased MF viability and significantly elevated the apoptosis rate in a dose‐dependent manner. IFN‐γ down‐regulated α‐SMA and collagen type I mRNA expression which was associated with a diminished MF mediated contraction of the gel matrices. These effects were suppressed by simultaneous treatment of cells with a neutralizing IFN‐γ antibody. Our experiments confirm the hypothesis that the cytokine IFN‐γ is a crucial component of the regulatory network of capsule MFs. IFN‐γ notably influences the ability of MFs to contract collagen matrices by suppressing α‐SMA gene expression. IFN‐γ is toxic for MFs in high concentrations and may negatively regulate the number of pro‐fibrotic MFs during the healing process via induction of cell apoptosis. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 35:2524–2533, 2017.
Compositional mapping of the mature anterior cruciate ligament‐to‐bone insertion
Authors: Qu Dovina , Subramony Siddarth D. , Boskey Adele L. , Pleshko Nancy , Doty Stephen B. , Lu Helen H.
Published: February 2017

The anterior cruciate ligament (ACL)‐to‐bone interface constitutes a complex, multi‐tissue structure comprised of contiguous ligament, non‐mineralized fibrocartilage, mineralized fibrocartilage, and bone regions. This composite structure enables load transfer between structurally and functionally dissimilar tissues and is critical for ligament homeostasis and joint stability. Presently, there is a lack of quantitative understanding of the matrix composition and organization across this junction, especially after the onset of skeletal maturity. The objective of this study is to characterize the adult bovine ACL‐to‐bone interface using Fourier transform infrared spectroscopic imaging (FTIRI), testing the hypothesis that regional changes in collagen, proteoglycan, and mineral distribution, as well as matrix organization, persist at the mature insertion. It was observed that while collagen content increases continuously across the adult interface, collagen alignment decreases between ligament and bone. Proteoglycans were primarily localized to the fibrocartilage region and an exponential increase in mineral content was observed between the non‐mineralized and mineralized regions. These observations reveal significant changes in collagen distribution and alignment with maturity, and these trends underscore the role of physiologic loading in postnatal matrix remodeling. Findings from this study provide new insights into interface organization and serve as benchmark design criteria for interface regeneration and integrative soft tissue repair. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 35:2513–2523, 2017.
Strain shielding inspired re‐design of proximal femoral stems for total hip arthroplasty
Authors: Cilla Myriam , Checa Sara , Duda Georg N.
Published: February 2017

A large number of hip prosthesis with different designs have been developed. However, the influence of hip implant design changes on the strains induced in the bone remains unclear. The purpose of this study is to better understand the mechanics of short stem total hip arthroplasty. Specifically, it investigates whether strain shielding can be avoided by changing implant shape and/or material properties. It is hypothesized that the re‐design of existing implant designs can result in further reduction of strain shielding and thus keep bone loss minimal following total hip replacement. Finite element methods were used to compare healthy and implanted models. The local mechanics strains/stresses in the intact and implanted femurs were determined under patient‐specific muscle and joint contact forces. Results suggest that small changes in implant geometry and material properties have no major effect on strain shielding. Furthermore, it was found that improvement depends on a dramatic re‐design of the original implant design. Whereas the benefit of this strategy of modification of the original geometry of a given short‐stemmed hip consists in reduced bone remodeling, care should be taken with regard to long‐term bone anchorage and implant fatigue strength. It is also shown that geometrical and material changes have a limited potential in avoiding strain shielding even in short‐stemmed implants. Finally, it is suggested that an understanding of the influence of these changes on the strain distribution within the bone can guide in the process of optimizing the current stem designs toward minimal strain shielding effects. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 35:2534–2544, 2017.
Bohr radius for the punctured disk
Authors: Abu Muhanna Yusuf , Ali Rosihan M. , Ng Zhen Chuan
Published: February 2017

This paper investigates the Bohr phenomenon for the class of analytic functions from the unit disk into the punctured unit disk. The Bohr radius is shown to be 1/3.
Illumina sequencing‐based analysis of sediment bacteria community in different trophic status freshwater lakes
Authors: Wan Yu , Ruan Xiaohong , Zhang Yaping , Li Rongfu
Published: February 2017

Sediment bacterial community is the main driving force for nutrient cycling and energy transfer in aquatic ecosystem. A thorough understanding of the community's spatiotemporal variation is critical for us to understand the mechanisms of cycling and transfer. Here, we investigated the sediment bacterial community structures and their relations with environmental factors, using Lake Taihu as a model system to explore the dependence of biodiversity upon trophic level and seasonality. To combat the limitations of conventional techniques, we employed Illumina MiSeq Sequencing and LeFSe cladogram to obtain a more comprehensive view of the bacterial taxonomy and their variations of spatiotemporal distribution. The results uncovered a 1,000‐fold increase in the total amount of sequences harvested and a reverse relationship between trophic level and the bacterial diversity in most seasons of a year. A total of 65 phyla, 221 classes, 436 orders, 624 families, and 864 genera were identified in the study area. Delta‐proteobacteria and gamma‐proteobacteria prevailed in spring/summer and winter, respectively, regardless trophic conditions; meanwhile, the two classes dominated in the eutrophication and mesotrophication lake regions, respectively, but exclusively in the Fall. For LEfSe analysis, bacterial taxon that showed the strongest seasonal or spatial variation, majority had the highest abundance in spring/summer or medium eutrophication region, respectively. Pearson's correlation analysis indicated that 5 major phyla and 18 sub‐phylogenetic groups showed significant correlation with trophic status. Canonical correspondence analysis further revealed that porewater NH4+‐N as well as sediment TOM and NOx‐N are likely the dominant environmental factors affecting bacterial community compositions.
Electrical and rheological characterization of poly(trimethylene terephthalate) hybrid nanocomposites filled withCOOHfunctionalizedMWCNTand graphene nanosheets
Authors: Paszkiewicz S. , Szymczyk A. , Kasprowiak I. , Zenker M. , Pilawka R. , Linares A. , Ezquerra T. A. , Rosłaniec Z.
Published: February 2017

Poly(trimethylene terephthalate) (PTT) composites filled with well‐dispersed functionalized multi‐walled carbon nanotubes (MWCNT‐COOH) and graphene nanosheets (GNS) were prepared throughin situpolymerization. The effect of increased nanotubes and nanosheets concentration on the electrical conductivity and rheological behavior was investigated. The electrical conductivity increased by about ten orders of magnitude for PTT/MWCNT‐COOH/GNS composites with 0.4 wt% of MWCNT‐COOH and 0.3 wt% of GNS content. For insulating hybrid polymer nanocomposites, with a MWCNT‐COOH content ≤ 0.2 wt%, GNS produces a synergic effect by acting as junction additive for MWCNT leading to additional conductive pathways. However, for hybrid nanocomposites with 0.4 wt% of MWCNT‐COOH further addition of GNS caused only slight improvement in electrical conductivity. Additionally, rheological analysis confirmed interconnected or network‐like structures formed as a result of nanofiller‐nanofiller and nanofiller‐polymer interactions. POLYM. COMPOS., 39:2961–2968, 2018. © 2017 Society of Plastics Engineers
Well‐defined polyisoprene‐grafted silica nanoparticles via the RAFT process
Authors: Khani Mohammad M. , Abbas Zaid M. , Benicewicz Brian C.
Published: February 2017

The preparation of well‐defined polyisoprene‐grafted silica nanoparticles (PIP‐g‐SiO2 NPs) was investigated. Surface initiated reversible addition fragmentation chain transfer (SI‐RAFT) polymerization was used to polymerize isoprene from the surface of 15 nm silica NPs. A high temperature stable trithiocarbonate RAFT agent was anchored onto the surface of particles with controllable graft densities. The polymerization of isoprene mediated by silica anchored RAFT with different densities were investigated and compared to the polymerization mediated by free RAFT agents. The effects of different temperatures, initiators, and monomer feed ratios on the kinetics of the SI‐RAFT polymerization were also investigated. Using this technique, block copolymers of polyisoprene and polystyrene on the surface of silica particles were also prepared. The well‐defined synthesized PIP‐g‐SiO2 NPs were then mixed with a polyisoprene matrix which showed a good level of dispersion throughout the matrix. These tunable grafted particles have potential applications in the field of rubber nanocomposites. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 1493–1501
Correlation of pre‐operative plasma protein concentrations in cardiac surgery patients with bleeding outcomes using a targeted quantitative proteomics approach
Authors: Clendenen Nathan , Tollefson Ashley , Dzieciatkowska Monika , Cambiaghi Alice , Ferrario Manuela , Kroehl Miranda , Banerjee Anirban , D'Alessandro Angelo , Hansen Kirk C. , Weitzel Nathaen
Published: February 2017

Purpose

Despite recent advancements in the use of thrombelastography (TEG) in the surgical setting, adequate technology to accurately predict bleeding phenotypes for patients undergoing cardiopulmonary bypass on the basis of non‐mechanical parameters is lacking. While basic science and translational studies have provided key mechanistic insights about the protein components of coagulation cascades and regulatory mediators of hemostasis and fibrinolysis, targeted protein assays are still missing and the association of protein profiles to bleeding phenotypes and TEG readouts have yet to be discovered.

Objective

To identify protein biomarkers of bleeding phenotypes of cardiopulmonary bypass patients in pre‐operative plasma.

Experimental design

We applied a targeted proteomics approach to quantify 123 plasma proteins from 23 patients undergoing cardiopulmonary bypass (CPB) and sternotomy. We then correlated these measurements to bleeding outcomes and TEG parameters, associated with speed of clot formation and strength.

Results

In this pilot study, we demonstrate the feasibility of protein quantitation as a viable strategy to predict low versus high bleeding phenotypes (loss of < or > than 20% of estimated blood volume, calculated as 70 mL/kg for BMI<29.9, 60 mL/kg for BMI = 30–39.9, and 50 mL/kg for BMI>40. Statistical elaborations highlighted a core set of proteins showing significant correlations to either total blood loss or TEG R/MA parameters.

Conclusion and clinical relevance

Though prospective verification and validation in larger cohorts will be necessary, this report suggests a potential for targeted quantitative proteomics of pre‐operative plasma protein concentrations in the prediction of estimated blood loss following CPB.
Marginal stability and predator–prey behaviour within storm tracks
Authors: Novak L. , Ambaum M. H. P. , Tailleux R.
Published: February 2017

A predator–prey relationship between storm track intensity and growth rate is revealed in reanalysis data of the North Atlantic and North Pacific, as well as in an idealized global circulation model with a zonally asymmetric heating dipole. Averaging in the phase space of these two quantities reveals that both quantities oscillate on approximately monthly time‐scales. These oscillations occur due to quasi‐periodic bursts in storm track activity that reduce excess baroclinicity and bring the flow back towards a state that is marginally stable to those bursts. Many detailed properties of these oscillations are reproduced well by a two‐dimensional dynamical system, especially in respect of the North Atlantic storm track which is more zonally constrained than that in the North Pacific. It is predicted and observed that on average stronger storm events occur less frequently but grow on a shorter time‐scale. The results suggest that nonlinearly oscillating behaviour around a state of baroclinic neutrality is a general feature of localized storm tracks, and they offer a new perspective on the study of baroclinic instability.
Characteristics of colliding sea breeze gravity current fronts: a laboratory study
Authors: van der Wiel Karin , Gille Sarah T. , Llewellyn Smith Stefan G. , Linden P. F. , Cenedese Claudia
Published: February 2017

Sea and land breeze circulations driven by surface temperature differences between land and sea often evolve into gravity currents with sharp fronts. Along narrow peninsulas, islands and enclosed seas, sea/land breeze fronts from opposing shorelines may converge and collide and may initiate deep convection and heavy precipitation. Here we investigate the collision of two sea breeze gravity current fronts in an analogue laboratory setting. We examine these collisions by means of ‘lock‐exchange’ experiments in a rectangular channel. The effects of differences in gravity current density and height are studied. Upon collision, a sharp front separating the two currents develops. For symmetric collisions (the same current densities and heights) this front is vertical and stationary. For asymmetric collisions (density differences, similar heights) the front is tilted, changes shape in time and propagates in the same direction as the heavier current before the collision. Both symmetric and asymmetric collisions lead to upward displacement of fluid from the gravity currents and mixing along the plane of contact. The amount of mixing along the collision front decreases with asymmetry. Height differences impact post‐collision horizontal propagation: there is significant propagation in the same direction as the higher current before collision, independent of density differences. Collisions of two gravity current fronts force sustained ascending motions which increase the potential for deep convection. From our experiments we conclude that this potential is larger in stationary collision fronts from symmetric sea breeze collisions than in propagating collision fronts from asymmetric sea breeze collisions.
3‐Oxobutanamides in Heterocyclic Synthesis, Synthesis Approaches for new Pyridines, Pyrimidines and their Fused Derivatives
Authors: Hussein Abdel Haleem M. , El‐Adasy Abu‐Bakr A. , Khames Ahmed A. , Atalla Ahmed A. , Abdel‐Rady Mohamed
Published: February 2017

Condensation of 3‐oxobutanamide derivative 1 with DMF‐DMA afforded the thiazolopyrimidines 4, pyridine derivative 7 and naphthyridines 12 depending on the different reaction conditions. Condensation of 1 with triethylorthoformate afforded ethoxymethylene derivative 3. The ethoxymethylenes 3 reacted with different nucleophilic reagents to yield 14, 15, 20 and 23–25 respectively. Also, it reacted with malononitrile and ethyl cyanoacetate to give pyridine derivatives 28 a,b. Finally, the ethoxymethylenes 3 reacted with β‐naphthol to yield the benzoquinoline derivative 34.
Production of Benzene from 2‐Hydroxybenzaldehyde by Various Reaction Paths using IRC Calculations within a DFT framework
Authors: Verma Anand M. , Kishore Nanda
Published: February 2017

The bio‐oil produced from pyrolysis of lignocellulosic biomass comprises of several oxy‐catalogues such as acids, alcohols, aldehydes, furans, phenols, etc. The oxy‐functionals in the bio‐oils vitiate the quality of bio‐oil, therefore, the unprocessed bio‐oils cannot be used directly to transportation vehicles. In this work, 2‐hydroxybenzaldehyde (2‐HB) has been taken as bio‐oil model component and carried out seven reaction pathways to produce benzene and other important intermediate products such as phenol, benzaldehyde, etc. The first reaction pathway is about the cleavage of formyl group of 2‐HB followed by single step hydrogenation reaction to produce phenol which further produces benzene component. The reaction pathway 2 is the hydrogen migration reaction followed by cleavage of formyl group and the reaction pathway 3 is decarbonylation reaction of 2‐hydroxybenzaldehyde to produce phenol component. The reaction pathway 4 is single atom hydrogenation at the aromatic carbon of Caromatic‐CHO sigma bond followed by the removal of formyl group to produce phenol. Similarly, the reaction pathway 5 starts with a single atom hydrogenation at the aromatic carbon of Caromatic‐OH sigma bond followed by hydroxyl group removal to produce benzaldehyde component. The reaction pathway 6 is the dehydrogenation reaction of formyl group followed by CO removal and a single step hydrogenation to produce phenol. The reaction pathway 7 directly cleaves the hydroxyl functional followed by hydrogenation reaction to produce benzaldehyde which further follows two sub‐pathways to produce benzene. The direct cleavages of hydroxyl and formyl functionals are not favourable as they require very high amount of energetics. Instead, the single atom hydrogenation to the aromatic carbon of Caromatic‐X (X=•OH or •CHO) followed by the oxy‐functional removal is found to be favourable reaction pathway.
Improving Photocatalytic Activity: Versatile Polyelectrolyte – Photosensitizer Assemblies for Methyl Viologen Reduction
Authors: Kutz Anne , Gröhn Franziska
Published: February 2017

In this study, we introduce a versatile polyelectrolyte‐photosensitizer self‐assembled system based on non‐covalent interaction showing highly efficient photocatalytic behavior in terms of methyl viologen reduction. The photocatalytic performance of the dendrimer‐dye system under visible light irradiation is modified to be more than 6‐times higher compared to the performance of the pure photosensitizer Rose Bengal. By adjusting the pH the self‐assembled structure can be size‐controlled. At the same time the underlying interaction forces change from mainly electrostatic nature to hydrogen and halogen bonding, a combination of forces reported here for the first time for dendrimer based assemblies. While strong electrostatic interaction of oppositely charged components at low pH hinders catalytic activity, the structure exhibits highly increased efficiency upon structure formation at high pH. Thus, a pH and loading ratio dependent photocatalytic system with potential for efficient solar energy conversion via photocatalysis has been established.
Structure‐Activity Relationships of Terpendole E and Its Natural Derivatives.
Authors: Nagumo Yoko , Motoyama Takayuki , Hayashi Toshiaki , Hirota Hiroshi , Aono Harumi , Kawatani Makoto , Osada Hiroyuki , Usui Takeo
Published: February 2017

Terpendole E (TerE) is the first natural product that inhibits mitotic kinesin Eg5 (kinesin spindle protein). Recently, TerE is suggested to have a different binding site and/or inhibitory mechanism than other L5 loop‐binding type Eg5 inhibitors. Here, we report the structure‐activity relationships (SARs) of natural TerE derivatives, including two compounds not reported before. Our SAR results indicated that the paspaline‐like indole‐diterpene skeleton is important for Eg5 inhibition, and that both further oxidation except for 11‐position and further prenylation decreases the Eg5 inhibitory activity.
A Comprehensive Depiction of the Furan‐Maleimide Coupling via Kinetic and Thermodynamic Investigations of the Diels‐Alder Reaction of Poly(styrene–co‐2‐vinylfuran) with Maleimides
Authors: Buonerba Antonio , Lapenta Rosita , Ortega Sánchez Sheila , Capacchione Carmine , Milione Stefano , Grassi Alfonso
Published: February 2017

Copolymers of styrene with 2‐vinylfuran (S‐co‐2VF) were reacted with maleimides to yield functionalized copolymers via Diels‐Alder (DA) reaction. The polymer compositions and the chemical structure of the DA cycloadducts were fully characterized by means of NMR spectroscopy. The kinetic and thermodynamic parameters were thus assessed for the DA and backward reaction (r‐DA) to gain information on this click reaction using a set of equations properly designed. The VT NMR monitoring of the reactions allowed to calculate the apparent rate constants for the formation and decoupling of the DA cycloadducts with both the endo and exo configurations in the range of temperature 70–120 °C. The activation energy barriers of 47.8 ± 5.6 kJ mol−1 and 174 ± 17 kJ mol−1 were calculated from the Arrhenius plots for the DA and r‐DA reactions, respectively. The Eyring‐Polanyi equation permitted also to assess the enthalpic and entropic contributions of 171 ± 17 kJ mol−1 and 0.09 ± 0.15 kJ K−1 mol−1 for the r‐DA reaction. The thermodynamic equilibrium constants yielded the enthalpy (‐157 ± 14 kJ mol−1) and entropy (‐370 ± 40 J K−1 mol−1) of formation of the DA cycloadducts.
Anti‐Solvent Assisted Crystallization Processed Methylammonium Bismuth Iodide Cuboids towards Highly Stable Lead‐Free Perovskite Solar Cells
Authors: Mali Sawanta S. , Kim Hyungjin , Kim Do‐Heyoung , Kook Hong Chang
Published: February 2017

In the present investigation, lead–free methylammonium bismuth iodide ((CH3NH3)3Bi2I9) (MAIB) perovskite cuboids has been synthesized by antisolvent assisted crystallization solution process (ASACP). The optical measurements showed a strong absorption band around 550 nm with 2.1 eV band gap. The fabricated mesoporous type device showed good performance with current density (JSC) over 1.10 mAcm−2, open circuit voltage (VOC) 0.653 V, fill factor (FF) 0.496 with 0.356 % power conversion efficiency (PCE) which is much higher than convetional processed (CP) i. e. 0.069 %. Further these devices were studied for their air and moisture stability and our device shows excellent high stability more than 60 days.
An Efficient Lipase‐Catalyzed Synthesis of Fatty Acid Derivatives of Vanillylamine with Antiherpetic Activity in Acyclovir‐Resistant Strains
Authors: Chanquia Santiago N. , Boscaro Nadia , Alché Laura , Baldessari Alicia , Liñares Guadalupe García
Published: February 2017

A series of eleven N‐fatty acid derivatives of vanillylamine was synthesized following an enzymatic approach, in excellent yield and a chemoselective way. The excellent results obtained by catalysis of Thermomyces lanuginosus lipase made the procedure very efficient, considering the low amount of enzyme required and its lower price in comparison with other commercial lipases. The influence of various reaction parameters in the lipase‐catalyzed reactions, such as enzyme source, nucleophile/substrate ratio, enzyme/substrate ratio, solvent and temperature, was studied. In order to evaluate the influence of the fatty acid chain length and configuration on the reaction rate and yield, HPLC analysis and molecular modeling experiments were performed. The results showed that a chain length between 12–14 carbon atoms favors the activity of the enzyme, while insaturation had no effect on the reaction rate. These facts confirm the experimental results. In addition, some of the evaluated compounds exhibited antiviral activity against Herpes simplex virus type 1 (HSV‐1) KOS strain (TK+) and Field and B2006 strains (TK‐) in Vero cells.
The relationship between evolutionary coupling and defects in large industrial software
Authors: Kirbas Serkan , Caglayan Bora , Hall Tracy , Counsell Steve , Bowes David , Sen Alper , Bener Ayse
Published: February 2017

Evolutionary coupling (EC) is defined as the implicit relationship between 2 or more software artifacts that are frequently changed together. Changing software is widely reported to be defect‐prone. In this study, we investigate the effect of EC on the defect proneness of large industrial software systems and explain why the effects vary. We analysed 2 large industrial systems: a legacy financial system and a modern telecommunications system. We collected historical data for 7 years from 5 different software repositories containing 176 thousand files. We applied correlation and regression analysis to explore the relationship between EC and software defects, and we analysed defect types, size, and process metrics to explain different effects of EC on defects through correlation. Our results indicate that there is generally a positive correlation between EC and defects, but the correlation strength varies. Evolutionary coupling is less likely to have a relationship to software defects for parts of the software with fewer files and where fewer developers contributed. Evolutionary coupling measures showed higher correlation with some types of defects (based on root causes) such as code implementation and acceptance criteria. Although EC measures may be useful to explain defects, the explanatory power of such measures depends on defect types, size, and process metrics.
Cloud architecture continuity: Change models and change rules for sustainable cloud software architectures
Authors: Pahl Claus , Jamshidi Pooyan , Weyns Danny
Published: February 2017

Cloud systems provide elastic execution environments of resources that link application and infrastructure/platform components, which are both exposed to uncertainties and change. Change appears in 2 forms: the evolution of architectural components under changing requirements and the adaptation of the infrastructure running applications. Cloud architecture continuity refers to the ability of a cloud system to change its architecture and maintain the validity of the goals that determine the architecture. Goal validity implies the satisfaction of goals in adapting or evolving systems. Architecture continuity aids technical sustainability, that is, the longevity of information, systems, and infrastructure and their adequate evolution with changing conditions. In a cloud setting that requires both steady alignment with technological evolution and availability, architecture continuity directly impacts economic sustainability. We investigate change models and change rules for managing change to support cloud architecture continuity. These models and rules define transformations of architectures to maintain system goals: Evolution is about unanticipated change of structural aspects of architectures, and adaptation is about anticipated change of architecture configurations. Both are driven by quality and cost, and both represent multidimensional decision problems under uncertainty. We have applied the models and rules for adaptation and evolution in research and industry consultancy projects.
A Bayesian supervised dual‐dimensionality reduction model for simultaneous decoding of LFP and spike train signals
Authors: Holbrook Andrew , Vandenberg‐Rodes Alexander , Fortin Norbert , Shahbaba Babak
Published: February 2017

Neuroscientists are increasingly collecting multimodal data during experiments and observational studies. Different data modalities—such as electroencephalogram, functional magnetic resonance imaging, local field potential (LFP) and spike trains—offer different views of the complex systems contributing to neural phenomena. Here, we focus on joint modelling of LFP and spike train data and present a novel Bayesian method for neural decoding to infer behavioural and experimental conditions. This model performs supervised dual‐dimensionality reduction: it learns low‐dimensional representations of two different sources of information that not only explain variation in the input data itself but also predict extraneuronal outcomes. Despite being one probabilistic unit, the model consists of multiple modules: exponential principal components analysis (PCA) and wavelet PCA are used for dimensionality reduction in the spike train and LFP modules, respectively; these modules simultaneously interface with a Bayesian binary regression module. We demonstrate how this model may be used for prediction, parametric inference and identification of influential predictors. In prediction, the hierarchical model outperforms other models trained on LFP alone, spike train alone and combined LFP and spike train data. We compare two methods for modelling the loading matrix and find them to perform similarly. Finally, model parameters and their posterior distributions yield scientific insights. Copyright © 2017 John Wiley & Sons, Ltd.
Preview predictive control layer design based upon known wind turbine blade‐pitch controllers
Authors: Lio W. H. , Jones B. Ll. , Rossiter J. A.
Published: February 2017

The use of upstream wind measurements has motivated the development of blade‐pitch preview controllers for improving rotor speed tracking and structural load reduction beyond that achievable via conventional feedback control. Such preview controllers, typically based upon model predictive control (MPC) for its constraint handling properties, alter the closed‐loop dynamics of the existing blade‐pitch feedback control system. This can result in a deterioration of the robustness properties and performance of the existing feedback control system. Furthermore, performance gains from utilising the upcoming real‐time measurements cannot be easily distinguished from the feedback control, making it difficult to formulate a clear business case for the use of preview control. Therefore, the aim of this work is to formulate a modular MPC layer on top of a given output‐feedback blade‐pitch controller, with a view to retaining the closed‐loop robustness and frequency‐domain performance of the latter. The separate nature of the proposed controller structure enables clear and transparent quantification of the benefits gained by using preview control, beyond that of the underlying feedback controller. This is illustrated by results obtained from high‐fidelity closed‐loop turbine simulations, showing the proposed control scheme incorporating knowledge of the oncoming wind and constraints achieved significant 43% and 30% reductions in the rotor speed and flap‐wise blade moment standard deviations, respectively. Additionally, the chance of constraint violations on the rotor speed decreased remarkably from 2.15% to 0.01%, compared to the nominal controller. Copyright © 2017 John Wiley & Sons, Ltd.
Madurastatin B3, a rare aziridine derivative from actinomycete Nocardiopsis sp. LS150010 with potent anti-tuberculosis activity
Authors: Zhang Xinjun , He Hongtao , Ma Rong , Ji Zengchun , Wei Qi , Dai Huanqin , Zhang Lixin , Song Fuhang
Published: February 2017

Since the discovery of the first antibiotic, natural products have played an important role in chemistry, biology and medicine. To explore the potential of bioactive compounds from microbes isolated from the southeast of Tibet, China, a crude extract library was constructed and screened against Staphylococcus aureus. The strain Nocardiopsis sp. LS150010 was scaled up and subjected to further chemical studies, resulting in the identification of N-salicyloyl-2-aminopropan-1,3-diol (2) and its rare aziridine derivative, madurastatin B3 (1). Their structures were determined by detailed analysis of 1D, 2D NMR and HRMS data. Compounds 1 and 2 displayed significant inhibitory activity against S. aureus and methicillin resistant S. aureus, with MIC values of 6.25 µg/mL. Compound 1 also showed potent inhibitory activity against Bacillus subtilis and Escherichia coli, as well as activity in a Mycobacterium tuberculosis Bacillus Calmette-Guérin infected THP-1 cell model.
Assessing the ecological impacts of invasive species based on their functional responses and abundances
Authors: Laverty Ciaran , Green Kyle D. , Dick Jaimie T. A. , Barrios-O’Neill Daniel , Mensink Paul J. , Médoc Vincent , Spataro Thierry , Caffrey Joe M. , Lucy Frances E. , Boets Pieter , Britton J. Robert , Pegg Josephine , Gallagher Cathal
Published: February 2017

Invasive species management requires allocation of limited resources towards the proactive mitigation of those species that could elicit the highest ecological impacts. However, we lack predictive capacity with respect to the identities and degree of ecological impacts of invasive species. Here, we combine the relativeper capitaeffects and relative field abundances of invader as compared to native species into a new metric, “Relative Impact Potential” (RIP), and test whether this metric can reliably predict high impact invaders. This metric tests the impact of invaders relative to the baseline impacts of natives on the broader ecological community. We first derived the functional responses (i.e.per capitaeffects) of two ecologically damaging invasive fish species in Europe, the Ponto-Caspian round goby (Neogobius melanostomus) and Asian topmouth gudgeon (Pseudorasbora parva), and their native trophic analogues, the bullhead (Cottus gobio; alsoC. bairdi) and bitterling (Rhodeus amarus), towards several prey species. This establishes the existence and relative strengths of the predator–prey relationships. Then, we derived ecologically comparable field abundance estimates of the invader and native fish from surveys and literature. This establishes the multipliers for the aboveper capitaeffects. Despite both predators having known severe detrimental field impacts, their functional responses alone were of modest predictive power in this regard; however, incorporation of their abundances relative to natives into the RIP metric gave high predictive power. We present invader/native RIP biplots that provide an intuitive visualisation of comparisons among the invasive and native species, reflecting the known broad ecological impacts of the invaders. Thus, we provide a mechanistic understanding of invasive species impacts and a predictive tool for use by practitioners, for example, in risk assessments.
Intermittent hypoxic–hyperoxic training on cognitive performance in geriatric patients
Authors: Bayer Urike , Likar Rudolf , Pinter Georg , Stettner Haro , Demschar Susanne , Trummer Brigitte , Neuwersch Stefan , Glazachev Oleg , Burtscher Martin
Published: February 2017

Introduction

Intermittent hypoxic–hyperoxic training (IHHT) may complement a multimodal training intervention (MTI) for improving cognitive function and exercise tolerance in geriatric patients.

Methods

Thirty‐four patients (64–92 years) participated in this randomized controlled trial. Before and after the 5‐ to 7‐week intervention period (MTI + IHHT vs. MTI + ambient air), cognitive function was assessed by the Dementia‐Detection Test (DemTect) and the Sunderland Clock‐Drawing Test (CDT), and functional exercise capacity by the total distance of the 6‐Minute Walk Test (6MWT).

Results

DemTect and CDT indicated significantly larger improvements after MTI + IHHT (+16.7% vs. −0.39%, P < .001) and (+10.7% vs. −8%, P = .031) which was also true for the 6MWT (+24.1% vs. +10.8%, P = .021).

Discussion

IHHT turned out to be easily applicable to and well tolerated by geriatric patients up to 92 years. IHHT contributed significantly to improvements in cognitive function and functional exercise capacity in geriatric patients performing MTI.
An Experiment in Manufacturing Blanks and Striking Coins
Authors: Williams Rick
Published: February 2017

In the second half of the 6th century BC four South Italian Greek colonial cities – Sybaris, Croton, Metapontum and Caulonia – were minting silver-copper alloy coins, all in the incuse fabric, with the same weight standard of c. 8gm. These incuse coins were to remain in production at Croton and Metapontum for the next 100 years.

Coins hoards indicate that these four cities began minting their coinage at the outset as very fine, artistic – even exquisite – objects of fine crafts-manship. Each coin was thin (1mm), broad (30mm) and of a consistently uniform weight and diameter, and each coin was struck between dies of exceptional quality. During subsequent decades the diameter of the coinage was progressively reduced.

At Monash University in 1980 we conducted experiments in coin manufacturing to determine how the minters at Croton in the 6th century produced these thin, incuse coins from only a small amount (8gm) of silver alloy, how they maintained a consistent weight standard across a century of minting, and why they progressively reduced the size of their coins during this period.

It is well-known that the manufacturing processes of objects made from metal alloys can be revealed by examining their crystal structures.

In our experiments in manufacturing broad, thin ‘Monash coins’, we examined the crystal structures at various stages throughout the process. To do this we made coin blanks of various diameters, all made from 8gm of silver-copper alloy. These blanks were subjected to hardness tests and photographs were made of the alloy’s crystal microstructures. ‘Coins’ were then minted by striking blanks between two manufactured replica dies, and their microstructures were compared with the microstructures of a genuine Croton incuse coin fragment.

This is the first time these results have been published.
The Ambitions of Scipio Nasica and the Destruction of the Stone Theatre
Authors: Tan James K.
Published: February 2017

The censors of 154/3 commissioned a stone theatre which was almost completed when it was demolished on the exhortations of P. Cornelius Scipio Nasica. The sources suggest that this destruction was as late as 151 or 150. Though an array of scholars has seised on Nasica’s claims that a theatre would soften Rome’s moral strength, there has been no satisfactory explanation of this peculiarly long delay between commencement of construction and final demolition. Something must have happened between 153 and 151 which would explain the late objection. This article proposes that Nasica’s awakening was spurred by the death of theprinceps senatusandpontifex maximus, M. Aemilius Lepidus. The vacuum left by his death led Nasica to ‘audition’ for the role as Rome’s new leading voice. To demonstrate his worthiness, however, he needed a cause, and the widespread refusals to serve in the Spanish campaign of 151 offered just such an opportunity. Nasica seised upon the most shocking political crisis of the times – the refusal of young men to enlist – in order to parade his guardianship of Rome’s moral worth, and the destruction of a costly and undoubtedly popular theatre constituted the bravura performance he needed.
Free Will and Law: Toward a Pragmatic Approach
Authors: Simmons Greg
Published: February 2017

Despite its profound significance for notions of legal responsibility, the courts and legal system have tended to avoid direct engagement with the philosophical problem of free will. Focusing on mental illness and the criminal law, I advance here a naturalistic approach that builds on the work of P. F. Strawson, one I believe offers a pragmatic basis from which to address the contradictions and challenges present when folk wisdom, science, philosophy and the law intersect. In this way, I contend that moving dialectically between a reflexive engagement with extant practical attitudes to freedom and the empirical investigation of the participant/object divide affords the opportunity to develop more rational and humane legal and social responses to both the mentally disordered and broader population.
Linear proportional–integral control for skin-friction reduction in a turbulent channel flow
Authors: Kim Euiyoung , Choi Haecheon
Published: February 2017

In the present study, we apply a proportional (P)–integral (I) feedback control to a turbulent channel flow for skin-friction reduction. The instantaneous wall-normal velocity at a sensing plane above the wall is measured as a sensing parameter, and blowing/suction is provided at the wall based on the PI control. The performance of PI controls is estimated by the change in the skin friction while varying the sensing plane location $y_{s}$ and the proportional and integral feedback gains ($\unicode[STIX]{x1D6FC}$ and $\unicode[STIX]{x1D6FD}$ respectively). The opposition control proposed by Choi et al. (J. Fluid Mech., vol. 262, 1994, pp. 75–110) corresponds to a P control with $\unicode[STIX]{x1D6FC}=1$. When the sensing plane is located close to the wall ($y_{s}^{+}\lesssim 10$), PI controls result in greater skin-friction reductions than corresponding P controls. The root-mean-square (r.m.s.) sensing velocity fluctuations, considered as the control error, approach zero with successful PI controls, but do not with P controls. Successful PI controls reduce the strength of near-wall coherent structures and the r.m.s. velocity fluctuations above the wall apart from those near the wall due to the control input. The frequency spectra of the sensing velocity show that the I component of PI controls significantly reduces the energy at low frequencies, much more than P controls do. Proportional–integral controls are also applied to a linearized flow model having transient growth of disturbances. The performance of PI controls for a linearized flow model is very similar to that for a turbulent channel flow, i.e. the low-frequency components of disturbances are significantly reduced by the I component of PI controls, and the transient energy growth is suppressed more than by P controls.