bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis of 1‐Amino‐2,4‐Dinitroimidazole Optimized by Online Infrared Spectroscopy and its Energetic Properties
Authors: Qu Yanyang , Chen Ya , Chi Yu , Ma Qing , Wang Jun , Huang Jinglun , Yang Guangcheng
Published: October 2016

The optimization of the reaction conditions (solvent, reaction time, and aminating agent) for the synthesis of 1‐amino‐2,4‐dinitroimidazole (3) by monitoring the reaction with online infrared spectroscopy is reported in this study. First, the thermal characteristics of 3 were studied by using differential scanning calorimetry (DSC; using heating rates of 2.5, 5, 10, and 20 K min−1), thermogravimetric analysis (TG), and the thermal explosion method. The Kissinger and Ozawa methods were used to calculate the average activation energy for the formation of 3; with logarithmic frequency factors (ln A) of 21.04 and 9.62, and activation energies (Ea) of 98.68 and 102.28 kJ mol−1, respectively. Compound 3 and its reaction precursors 2,4‐dinitroimidazole (1) and 1,4‐dinitroimidazole were characterized by single‐crystal X‐ray diffraction. Compound 3 is shown to have good energetic properties, as determined through EXPLO5 v6.02 and actual measurement. Furthermore, this energetic material is found to have low impact sensitivity (IS>40 J) and friction sensitivity (FS>360 N).
Descriptors and Thermodynamic Limitations of Electrocatalytic Carbon Dioxide Reduction on Rutile Oxide Surfaces
Authors: Bhowmik Arghya , Vegge Tejs , Hansen Heine A.
Published: October 2016

A detailed understanding of the electrochemical reduction of CO2 into liquid fuels on rutile metal oxide surfaces is developed by using DFT calculations. We consider oxide overlayer structures on RuO2(1 1 0) surfaces as model catalysts to elucidate the trends and limitations in the CO2 reduction reaction (CO2RR) based on thermodynamic analysis. We aim to specify the requirements for CO2RR catalysts to establish adsorbate scaling relations and use these to derive activity volcanoes. Computational results show that the OH* binding free energy is a good descriptor of the thermodynamic limitations and it defines the left leg of the activity volcano for CO2RR. HCOOH* is a key intermediate for products formed through further reduction, for example, methanediol, methanol, and methane. The surfaces that do not bind HCOOH* are selective towards formic acid (HCOOH) production, but hydrogen evolution limits their suitability. We determine the ideal binding free energy for H* and OH* to facilitate selective CO2RR over H2/CO evolution to be ΔGB[H]>0.5 eV and −0.5 eV<ΔGB[OH]<0.1 eV. The Re‐containing overlayers considered in this work display excellent promise for selectivity, although they are active at a highly reducing potential.
Improving the Performance of Formamidinium and Cesium Lead Triiodide Perovskite Solar Cells using Lead Thiocyanate Additives
Authors: Yu Yue , Wang Changlei , Grice Corey R. , Shrestha Niraj , Chen Jing , Zhao Dewei , Liao Weiqiang , Cimaroli Alexander J. , Roland Paul J. , Ellingson Randy J. , Yan Yanfa
Published: October 2016

Formamidinium lead triiodide (FAPbI3) is considered as an alternative to methylammonium lead triiodide (MAPbI3) because of its lower band gap and better thermal stability. However, owing to the large size of FA cations, it is difficult to synthesize high‐quality FAPbI3 thin films without the formation of an undesirable yellow phase. Smaller sized cations, such as MA and Cs, have been successfully used to suppress the formation of the yellow phase. Whereas FA and MA lead triiodide perovskite solar cells (PVSCs) have achieved power conversion efficiencies (PCEs) higher than 20 %, the PCEs of formamidinium and cesium lead triiodide (FA1−xCsxPbI3) PVSCs have been only approximately 16.5 %. Herein, we report our examination of the main factors limiting the PCEs of (FA1−xCsxPbI3) PVSCs. We find that one of the main limiting factors could be the small grain sizes (≈120 nm), which leads to relatively short carrier lifetimes. We further find that adding a small amount of lead thiocyanate [Pb(SCN)2] to the precursors can enlarge the grain size of (FA1−xCsxPbI3) perovskite thin films and significantly increase carrier lifetimes. As a result, we are able to fabricate (FA1−xCsxPbI3) PVSCs with significantly improved open‐circuit voltages and fill factors and, therefore, enhanced PCEs. With an optimal 0.5 mol % Pb(SCN)2 additive, the average PCE is increased from 16.18±0.50 (13.45±0.78) % to 18.16±0.54 (16.86±0.63) % for planar FA0.8Cs0.2PbI3 PVSCs if measured under reverse (forward) voltage scans. The champion cell registers a PCE of 19.57 (18.12) % if measured under a reverse (forward) voltage scan, which is comparable to that of the best‐performing MA‐containing planar FA‐based lead halide PVSCs.
Trapped in the web of water: Groundwater‐fed springs are island‐like ecosystems for the meiofauna
Authors: Fattorini Simone , Borges Paulo A. V. , Fiasca Barbara , Galassi Diana M. P.
Published: October 2016

We investigated whether the equilibrium theory of island biogeography (ETIB) can be applied to the meiofauna of groundwater‐fed springs. We tested whether copepod species richness was related with spring area, discharge, and elevation. Additionally, five hypotheses are tested based on species distribution patterns, dispersal ability, and life‐history characteristics of several guilds (stygobiotic, nonstygobiotic, cold stenotherm, and noncold stenotherm species). Thirty springs in the central Apennines (Italy) were considered. A multimodel selection procedure was applied to select best‐fit models using both ordinary least‐squares regressions and autoregressive models. Mantel tests were used to investigate the impact of spatial autocorrelation in determining interspring similarity (ßsor), pure turnover (ßsim), intersite nestedness (ßnest = ßsor − ßsim), and matrix nestedness (measured using NODF and other metrics). Explicit consideration of spatial correlations reduced the importance of predictors of overall species richness, noncold stenotherm species (both negatively affected by elevation), cold stenotherm species, and nonstygobiotic species, but increased the importance of area for the stygobiotic species. We detected nested patterns in all cases, except for the stygobites. Interspring distances were positively correlated with ßsor and ßnest (but not with ßsim) for the entire data set and for nonstygobiotic, cold stenotherm, and noncold stenotherm species. In the case of stygobites, interspring geographical distances were marginally correlated with ßsor and no correlation was found for ßsim and ßnest. We found support for ETIB predictions about species richness, which was positively influenced by area and negatively by elevation (which expresses the size of source of immigrants). Low turnover and high nestedness are consistent with an equilibrium scenario mainly regulated by immigration and extinction. Stygobites, which include many distributional and evolutionary relicts, have a low capability to disperse through the aquifers and tend to be mainly confined to the springs where they drifted out and were trapped by springbed sediments.
Tin Sulfide Clusters with Polyheteroatomic Ligands: Syntheses, Structures, and Photoluminescence Properties
Authors: Leusmann Eliza , Rosemann Nils W. , Weinert Bastian , Chatterjee Sangam , Dehnen Stefanie
Published: October 2016

2‐Hydrazinobenzothiazole and 2‐furaldehyde diethyl acetal were connected to complementarily functionalized tin sulfide clusters, with coupling of an acetal to a hydrazine‐functionalized cluster being so far without precedence. Neither ethers nor an N,S combination of heteroatoms has so far been present in the ligand shell of tetrelchalcogenide clusters. The resulting cluster molecules are based on inorganic [Sn6S10] architectures and show different photoluminescence properties as a function of the attached ligands.
Transition‐Metal‐Catalyzed Transformations of 1‐Alkenylpropargyl Alcohols and Esters: Valuable Cascade Reactions for Increasing Structural Complexity
Authors: Haak Edgar
Published: October 2016

It is the aim of this microreview to highlight the diversity of structural conversions that are accessible from 1‐alkenylpropargyl alcohols and esters in the context of transition‐metal‐catalyzed cascade transformations. These readily available enynols facilitate diverse transition‐metal‐catalyzed cascade reactions, exploiting their different functional sites. This C5 motif thus represents a set of common precursors for a broad range of structurally very diverse scaffolds, making its cascade transformations valuable tools in organic synthesis and drug discovery.
Synthesis of Homoditopic Ligands with an Incrementable Rodlike Backbone
Authors: Demay‐Drouhard Paul , Chamoreau Lise‐Marie , Guillot Régis , Policar Clotilde , Bertrand Hélène C.
Published: October 2016

We describe the synthesis of architectures that consist of a symmetrical rodlike oligo(phenylene‐ethynylene) (OPE) backbone of incrementable length connected to a pair of classical ligands for metal coordination. OPE spacers decorated with various end groups and incorporating up to seven phenylene‐acetylene repeat units were quickly obtained through a bidirectional approach. Efficient further functionalization with useful coordinating groups were achieved. The resulting homoditopic platforms are of interest in numerous fields ranging from supramolecular chemistry to materials science.
Enantioselective Approach to the Right‐Hand Substructure of Solanoeclepin A
Authors: Lutteke Ginger , Kleinnijenhuis Roel A. , Beuving Remmelt J. , de Gelder René , Smits Jan M. M. , van Maarseveen Jan H. , Hiemstra Henk
Published: October 2016

An enantioselective synthesis of the right‐hand substructure of solanoeclepin A has been developed. The key step was an intramolecular [2+2] photocycloaddition between an allene and a butenolide providing a methylenecyclobutane with three quaternary carbon atoms in a complex tetracyclic framework. Other crucial steps included an enantioselective Noyori transfer hydrogenation of a ketone, a diastereoselective silver‐mediated silyl dienolate allylation, and a diastereoselective cyclopropanation of an allylic alcohol. The installation of the bridgehead methyl group by reduction of the lactone moiety proved to be troublesome.
Polypyrrole Nanospheres – Electrochemical Properties and Application as a Solid Contact in Ion‐selective Electrodes
Authors: Jaworska Ewa , Michalska Agata , Maksymiuk Krzysztof
Published: October 2016

Polypyrrole nanospheres of uniform size, close to 40 nm, of highly active and unblocked surface were obtained. The novel synthetic approach applied used poly(n‐butyl acrylate) microspheres to deliver the monomer (pyrrole) to the oxidant (iron(III) nitrate) aqueous solution. Small portions of dispersion of these nanoparticles were coated on glassy carbon electrodes, yielding stable films suitable for electrochemical studies. Electrochemical experiments: Cyclic voltammetry and electrochemical impedance spectroscopy revealed high transport rate of ions inside the polymer and high charge transfer reactions rate, manifested in highly capacitive characteristics of such layers. These properties are different from those of classical electrochemically obtained polypyrrole. Due to their capacitive properties, polypyrrole nanospheres layers were applied as a solid contact in ion‐selective electrodes, on example of a potassium‐selective potentiometric sensor. Although the capacitance of the conducting polymer was much lower than in the absence of the ion‐selective membrane, it was sufficiently high to obtain sensors with stable potentiometric signals.
Low‐dose radiotherapy in diffuse large B‐cell lymphoma
Authors: Furlan Carlo , Canzonieri Vincenzo , Spina Michele , Michieli Mariagrazia , Ermacora Anna , Maestro Roberta , Piccinin Sara , Bomben Riccardo , Dal Bo Michele , Trovo Marco , Gattei Valter , Tirelli Umberto , Franchin Giovanni , Bulian Pietro
Published: October 2016

Low‐dose radiotherapy (LDRT) given in 2 × 2 Gy is a highly effective and safe treatment for palliation of indolent lymphomas. Otherwise, very little regarding the use of LDRT for diffuse large B‐cell lymphoma (DLBCL) has been investigated. We designed a phase 2 trial of LDRT in patients with DLBCL with indication for palliative radiation. Low‐dose radiotherapy was administered on symptomatic areas only. Clinical response was assessed 21 days after LDRT and defined as reduction >50% of maximum diameter of the radiated lesions. Quality of life was scored by the European Organisation for Research and Treatment of Cancer QLQ‐C30 questionnaire. Tumor subtype (germinal center B‐cell type versus activated B‐cell type) and the presence of TP53 mutations in pathologic specimens of the target lesion were also evaluated. Twenty‐three of twenty‐five radiated patients were evaluable for response, and 2 died of disease before the visit at 21 days. The overall response rate was 70% (16 of 23 patients), with 7 complete responses and 9 partial responses (mean duration of response, 6 months; range, 1‐39 months). Fifteen patients answered to the QLQ‐C30 questionnaires, and an improved quality of life was documented in 9 cases. TP53 mutations were detected in 2 of 6 (33%) nonresponders and in none of the responders (P = .12). Germinal center B‐cell type responded better than activated B‐cell type (response rate was 83% and 29%, respectively, P = .01). These findings indicate that LDRT is effective for palliation in patients with DLBCL.
Structural Chemistry: The Last 50 Years as Seen by an X‐ray Crystallographer
Authors: Bürgi Hans‐Beat
Published: October 2016

Some aspects of the evolution of structural chemistry are described from the personal perspective of a student of Jack Dunitz who started working for a Ph.D. in crystal chemistry in the mid‐1960s. The importance and the change of emphasis of X‐ray crystal structure determination through the decades is sketched and related to technological advances. Activities beyond standard structure determination by single‐crystal and powder diffraction, some of them significantly underdeveloped, are indicated. While crystal structure determination has become an important, if not indispensable, analytical tool supporting the widespread objectives of the synthetic chemists, structural chemistry has also developed a deep physical understanding of the concept of structure at the atomic length scale and enabled the organization of an enormous volume of individual observations based on the notions of chemical bonding.
Mechanistic Study of SmI2‐Mediated Reformatsky Reaction for Macrolactam Formation Using a Cyclopropyl Group as a Probe
Authors: Yang Shouliang , Xi Yumeng , Chen Jiahua , Yang Zhen
Published: October 2016

A mechanistic study using a cyclopropylmethyl radical clock as a probe to investigate the formation of a macrolactam ring via an SmI2‐mediated intramolecular Reformatsky reaction is experimentally explored. The results of our study indicate that the key SmIII‐enolate intermediate is formed by cleavage of a C−Br bond in an anion‐mediated β‐elimination, and then eventually undergoes an intramolecular aldol condensation to form the macrolactam ring.
Making the Case for Youth and Practitioner Reading, Producing, and Teaching Fanfiction
Authors: Garcia Antero
Published: October 2016

This forum reviews high‐interest young adult literature and adult texts. Exploring both print‐based and multimodal works, this column considers all kinds of texts that are encountered by contemporary readers, considering how the texts challenge and are challenged by readers.
Making Foster Youths’ Lives and Everyday Literacies Visible Through Film
Authors: Vasudevan Lalitha , Rodriguez Kerr Kristine
Published: October 2016

This forum reviews a mix of resources (written texts, graphic novels, documentaries, and mixed‐media pieces) to inform pedagogy and related educational practices that foreground representations of youths and their literacy practices within and outside of school.
A novel method of surface modification by electrochemical deoxidation: Effect on surface characteristics and initial bioactivity of zirconia
Authors: Liu Juan , Hong Guang , Wu Yu‐Han , Endo Kosei , Han Jian‐Min , Kumamoto Hiroyuki , Wada Takeshi , Kato Hidemi , Gao Ping , Sasaki Keiichi
Published: October 2016

The aim of this study was to investigate and compare the surface characteristics and initial bioactivity of ceria‐stabilized zirconia/alumina nanocomposite (NANOZR) with those of yttria‐stabilized zirconia (3Y‐TZP) and pure titanium (CpTi) following the use of three surface modification methods; polishing, sandblasting/acid‐etching (SB‐E) and electrochemical deoxidation (ECD). Physical properties including surface morphology, chemical composition, X‐ray diffraction, surface wettability, surface roughness, and hardness were measured. Osteoblast‐like MC3T3‐E1 cells were used to examine cell morphology and attachment to the surfaces of the materials. ECD treated NANOZR (NANOZR‐E) showed a well‐arranged, self‐organized microporous surface structure with significantly low contact angles when compared with the other specimens (p < 0.05). NANOZR‐E also demonstrated a slight decrease in monoclinic phase content (−4.4 wt %). The morphology and attachment of MC3T3‐E1 cells on NANOZR‐E were similar to those on polished and SBE‐treated CpTi surfaces. Higher cell affinity was observed on NANOZR‐E when compared with ECD treated 3Y‐TZP. The findings of this study indicate the effectiveness of the novel technique, ECD, in the formation of a microporous surface on NANOZR when compared with both CpTi and 3Y‐TZP. Moreover, this method also appears to improve the biological activity of NANOZR during the initial stage. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 2641–2652, 2017.
Estimation of relative free energies of binding using pre‐computed ensembles based on the single‐step free energy perturbation and the site‐identification by Ligand competitive saturation approaches
Authors: Raman E. Prabhu , Lakkaraju Sirish Kaushik , Denny Rajiah Aldrin , MacKerell Alexander D.
Published: October 2016

Accurate and rapid estimation of relative binding affinities of ligand‐protein complexes is a requirement of computational methods for their effective use in rational ligand design. Of the approaches commonly used, free energy perturbation (FEP) methods are considered one of the most accurate, although they require significant computational resources. Accordingly, it is desirable to have alternative methods of similar accuracy but greater computational efficiency to facilitate ligand design. In the present study relative free energies of binding are estimated for one or two non‐hydrogen atom changes in compounds targeting the proteins ACK1 and p38 MAP kinase using three methods. The methods include standard FEP, single‐step free energy perturbation (SSFEP) and the site‐identification by ligand competitive saturation (SILCS) ligand grid free energy (LGFE) approach. Results show the SSFEP and SILCS LGFE methods to be competitive with or better than the FEP results for the studied systems, with SILCS LGFE giving the best agreement with experimental results. This is supported by additional comparisons with published FEP data on p38 MAP kinase inhibitors. While both the SSFEP and SILCS LGFE approaches require a significant upfront computational investment, they offer a 1000‐fold computational savings over FEP for calculating the relative affinities of ligand modifications once those pre‐computations are complete. An illustrative example of the potential application of these methods in the context of screening large numbers of transformations is presented. Thus, the SSFEP and SILCS LGFE approaches represent viable alternatives for actively driving ligand design during drug discovery and development. © 2016 Wiley Periodicals, Inc.
An Epigenetic Perspective on the Midwife Toad Experiments of Paul Kammerer (1880–1926)
Authors: Vargas Alexander O. , Krabichler Quirin , Guerrero‐Bosagna Carlos
Published: October 2016

Paul Kammerer was the most outstanding neo‐Lamarckian experimentalist of the early 20th century. He reported spectacular results in the midwife toad, including crosses of environmentally modified toads with normal toads, where acquired traits were inherited in Mendelian fashion. Accusations of fraud generated a great scandal, ending with Kammerer's suicide. Controversy reignited in the 1970s, when journalist Arthur Koestler argued against these accusations. Since then, others have argued that Kammerer's results, even if real, were not groundbreaking and could be explained by somatic plasticity, inadvertent selection, or conventional genetics. More recently, epigenetics has uncovered mechanisms by which inheritance can respond directly to environmental change, inviting a reanalysis of Kammerer's descriptions. Previous arguments for mere somatic plasticity have ignored the description of experiments showing heritable germ line modification. Alleged inadvertent selection associated with egg mortality can be discarded, since mortality decreased in a single generation, upon repeated exposures. The challenging implications did not escape the attention of Kammerer's noted contemporary, William Bateson, but he reacted with disbelief, thus encouraging fraud accusations. Nowadays, formerly puzzling phenomena can be explained by epigenetic mechanisms. Importantly, Kammerer described parent‐of‐origin effects, an effect of parental sex on dominance. Epigenetic mechanisms underlie these effects in genomic imprinting and experiments of transgenerational epigenetic inheritance. In the early 20th century, researchers had no reason to link them with the inheritance of acquired traits. Thus, the parent‐of‐origin effects in Kammerer's experiments specifically suggest authenticity. Ultimate proof should come from renewed experimentation. To encourage further research, we present a model of possible epigenetic mechanisms.
Efficient Synthesis of Functionalized Thienocarbazoles Catalyzed by l‐proline
Authors: Kumaresan Prabakaran , Matthias Zeller , Karnam Jayarampillai Rajendra Prasad
Published: October 2016

A new synthetic route has been developed for the synthesis of highly substituted thienocarbazoles via l‐proline mediated Gewald reaction. The approach offers the advantages of clean reaction, simple methodology, high yield, easy purification, and economic availability of the catalyst.
99mTc‐tricarbonyl labeling of paclitaxel as an antimicrotubule agent and its evaluation in B16‐F10 melanoma tumor‐bearing mice
Authors: Erfani Mostafa , Shabani Zahra , Shamsaei Mojtaba , Shirmardi Seyed Pezhman , Shafiei Mohammad
Published: October 2016

In the present study paclitaxel (taxol) was labeled with [99mTc(CO)3(H2O)3]+ core. Labeling was optimized, and radiochemical analysis was determined by thin layer chromatography and high performance liquid chromatography. Radiocomplex was evaluated and verified further as a tumor characterization agent in B16‐F10 melanoma tumor‐bearing mice. The [99mTc(CO)3(H2O)3]+‐paclitaxel complex with high specific activity (0.77 GBq/μmol) and labeling yield (96.8 ± 1.3) was obtained. No decrease in labeling was observed up to 6 hours, and the stability of the radiocomplex was found adequate. Our main achievement was high accumulation of radiolabeled paclitaxel in tumor (4.51 ± 0.65 percentage injected dose per gram [%ID/g] at 2‐h postinjection) followed by significant reduction (1.86 ± 0.27%ID/g) at 4‐hour postinjection. Because paclitaxel is a substrate for multidrug resistance, 99mTc‐tricarbonyl‐paclitaxel imaging would be useful for tumor characterization rather than tumor detection.
Judith Butler and Leadership: Reimagining Intelligibility, Social Change, and Leadership Discourse
Authors: Fine Leigh E.
Published: October 2016

Although Judith Butler's body of work is complex, many of her arguments have the potential to help us understand and generate new leadership realities. How Butler conceptualizes the concepts of intelligibility, performativity, discourse, and social change all have implications for the practice of leadership. The use of a critical leadership approach permits the exploration of parallels between her writings and two contemporary approaches to leadership: the Social Change Model of Leadership and adaptive leadership. Through the application of Butler's work to contemporary leadership discourse, the potential to render a broader range of subjects intelligible as leaders and to catalyze social change is explored.
Four Lessons Learned in How to Use Human Resource Analytics to Improve the Effectiveness of Leadership Development
Authors: Bassi Laurie , McMurrer Dan
Published: October 2016

The tools and methodologies being developed in the emerging field of human resource analytics can be used both to measure the impact of your organization's investment in leadership development and, perhaps more importantly, to improve the return on that investment. In particular, analytics can be used to move your organization beyond one‐size‐fits‐all competencies by identifying the unique leadership competencies that drive your organization's business results (sales, profits, and employee turnover). Your employee “engagement survey” is a powerful, but typically underutilized, tool for doing so. By linking it with other, disparate pieces of data (180/360 assessments, Learning Management System (LMS) records, turnover, and financial data), you create the foundation for understanding where leadership competencies explain variation (positive and negative) in your organization's business results. This, in turn, creates a strong evidence base for optimizing your leadership development strategy—and is done so using metrics and analysis, which is the language of CEOs and CFOs.
Role of PI‐RADSv2 with multiparametric MRI in determining who needs active surveillance or definitive treatment according to PRIAS
Authors: Park Jung Jae , Park Byung Kwan
Published: October 2016

Purpose

To evaluate the role of Prostate Imaging Reporting and Data System v. 2 (PI‐RADSv2) in triaging patients with prostate cancer according to Prostate Cancer Research International: Active Surveillance (PRIAS).

Materials and Methods

Between January 2012 and December 2014, 456 patients with biopsy‐proven cancer underwent multiparametric 3T magnetic resonance imaging (MRI) using T2‐weighted, diffusion‐weighted, and dynamic contrast‐enhanced MRI sequences, and then radical prostatectomy. Two radiologists independently reviewed MR images using PI‐RADSv2. For AS, PRIAS required clinical stage <T3, prostate‐specific antigen (PSA) ≤10 ng/mL, PSA density <0.2 ng/mL2, Gleason score (GS) ≤6, and the number of positive cores ≤2. For AS, PI‐RADSv2 required an index lesion scored <4. Standard reference was prostatectomy, in which insignificant cancer was defined as a small (<0.5 cm3) organ‐confined lesion with GS ≤6. Sensitivity and specificity for insignificant cancer were obtained with PRIAS, PI‐RADSv2, and both.

Results

The sensitivity and specificity with PRIAS were 82.9% (68/82) and 70.9% (265/374), respectively. PI‐RADSv2 decreased the sensitivity to 61% (50/82) to 80.5% (66/82), but increased the specificity to 77.8% (291/374) to 90.8% (340/374). The combination of PRIAS and PI‐RDASv2 increased significantly the specificity to 89.6% (335/374) to 92.8% (347/374) (P < 0.001).

Conclusion

PRIAS using multiparametric MRI can identify a greater number of insignificant cancers than PI‐RADSv2. However, PI‐RADSv2 helps detect many significant cancers that are misdiagnosed as insignificant cancer with PRIAS.

Level of Evidence: 3

Technical Efficacy: Stage 2

J. MAGN. RESON. IMAGING 2017;45:1753–1759
Power macromodeling technique and its application to SoC‐based design
Authors: Durrani Yaseer Arafat , Riesgo Teresa
Published: October 2016

Low power is becoming a more crucial performance metrics in system‐on‐chip (SoC) design. Power function is largely determined by input patterns. The characteristics of these patterns have a major influence on power dissipation.

This paper demonstrates power estimation technique using input patterns with the predefined statistical characteristics that helps to analyze the average power consumption of the different intellectual property (IP) cores and the interconnects/buses in SoC design. Genetic algorithm is implemented for the generation of sequences of input signals during the power estimation procedure. The genetic algorithm concurrently optimizes the input signal characteristics that influence the final solution of the pattern. Then, a Monte Carlo zero‐delay simulation is performed for individual IP core and bus at a high level. By the simple addition of these cores/buses, power is predicted by a novel macromodel function. The metamodeling technique is adopted to improve accuracy of the samples of realistic data for the quality of results. In the experiments with the IP‐based SoC system, the average error is estimated at 11.42%.
Mesenchymal stem cells attenuate MRI‐identifiable injury, protect white matter, and improve long‐term functional outcomes after neonatal focal stroke in rats
Authors: van Velthoven Cindy T. , Dzietko Mark , Wendland Michael F. , Derugin Nikita , Faustino Joel , Heijnen Cobi J. , Ferriero Donna M. , Vexler Zinaida S.
Published: October 2016

Cell therapy has emerged as a potential treatment for many neurodegenerative diseases including stroke and neonatal ischemic brain injury. Delayed intranasal administration of mesenchymal stem cells (MSCs) after experimental hypoxia‐ischemia and after a transient middle cerebral artery occlusion (tMCAO) in neonatal rats has shown improvement in long‐term functional outcomes, but the effects of MSCs on white matter injury (WMI) are insufficiently understood. In this study we used longitudinal T2‐weighted (T2W) and diffusion tensor magnetic resonance imaging (MRI) to characterize chronic injury after tMCAO induced in postnatal day 10 (P10) rats and examined the effects of delayed MSC administration on WMI, axonal coverage, and long‐term somatosensory function. We show unilateral injury‐ and region‐dependent changes in diffusion fraction anisotropy 1 and 2 weeks after tMCAO that correspond to accumulation of degraded myelin basic protein, astrocytosis, and decreased axonal coverage. With the use of stringent T2W‐based injury criteria at 72 hr after tMCAO to randomize neonatal rats to receive intranasal MSCs or vehicle, we show that a single MSC administration attenuates WMI and enhances somatosensory function 28 days after stroke. A positive correlation was found between MSC‐enhanced white matter integrity and functional performance in injured neonatal rats. Collectively, these data indicate that the damage induced by tMCAO progresses over time and is halted by administration of MSCs. © 2016 Wiley Periodicals, Inc.
Long‐term effects of autoimmune CNS inflammation on adult hippocampal neurogenesis
Authors: Giannakopoulou Aggeliki , Lyras George A. , Grigoriadis Nikolaos
Published: October 2016

Neurogenesis is a well‐characterized phenomenon within the dentate gyrus (DG) of the adult hippocampus. Aging and chronic degenerative disorders have been shown to impair hippocampal neurogenesis, but the consequence of chronic inflammation remains controversial. In this study the chronic experimental autoimmune encephalomyelitis (EAE) mouse model of multiple sclerosis was used to investigate the long‐term effects of T cell–mediated central nervous system inflammation on hippocampal neurogenesis. 5‐Bromodeoxyuridine (BrdU)‐labeled subpopulations of hippocampal cells in EAE and control mice (coexpressing GFAP, doublecortin, NeuN, calretinin, and S100) were quantified at the recovery phase, 21 days after BrdU administration, to estimate alterations on the rate and differentiation pattern of the neurogenesis process. The core features of EAE mice DG are (i) elevated number of newborn (BrdU+) cells indicating vigorous proliferation, which in the long term subsided; (ii) enhanced migration of newborn cells into the granule cell layer; (iii) increased level of immature neuronal markers (including calretinin and doublecortin); (iv) trending decrease in the percentage of newborn mature neurons; and (v) augmented gliogenesis and differentiation of newborn neural precursor cells (NPCs) to mature astrocytes (BrdU+/S100+). Although the inflammatory environment in the brain of EAE mice enhances the proliferation of hippocampal NPCs, in the long term neurogenesis is progressively depleted, giving prominence to gliogenesis. The discrepancy between the high number of immature cells and the low number of mature newborn cells could be the result of a caused defect in the maturation pathway. © 2016 Wiley Periodicals, Inc.
Effective cleanup for the determination of six quinolone residues in shrimp before HPLC with diode array detection in compliance with the European Union Decision 2002/657/EC
Authors: Bitas Dimitrios , Samanidou Victoria F.
Published: October 2016

A high‐performance liquid chromatographic method was developed for the determination of six quinolone residues (ciprofloxacin, enrofloxacin, sarafloxacin, oxolinic acid, nalidixic acid, and flumequine) in shrimp tissue samples. Separation was carried out by a LiChrospher® 100 RP‐8e column, running at a 22 min gradient elution program, and the mobile phase consisted of citric acid (0.4 mol/L), acetonitrile and methanol. Detection was achieved by a diode array detector, monitoring at 255 and 275 nm. Sample preparation included initial extraction with citric acid solution and further clean‐up by solid‐phase extraction, employing Lichrolut RP‐18 cartridges. Validation was performed according to the European Union Decision 2002/657/EC. The detection capability was 127.2 μg/kg for ciprofloxacin, 115.2 μg/kg for enrofloxacin, 126.2 μg/kg for sarafloxacin, 113.1 μg/kg for oxolinic acid, 125.2 μg/kg for nalidixic acid, and 239.0 μg/kg for flumequine. Recoveries ranged between 83.0 and 121.6%. The Youden test was applied to study the method ruggedness.
Effects of conifer expansion on greater sage‐grouse nesting habitat selection
Authors: Severson John P. , Hagen Christian A. , Maestas Jeremy D. , Naugle David E. , Forbes J. Todd , Reese Kerry P.
Published: October 2016

Expansion of conifer woodlands into sagebrush (Artemisiaspp.) ecosystems is a primary threat to the greater sage‐grouse (Centrocercus urophasianus) in the Great Basin, southeast Oregon, USA. Conifer removal to restore sage‐grouse habitats has been widely implemented, yet limited information exists on the effects of conifer expansion on sage‐grouse habitat selection. Our objective was to evaluate the landscape‐scale effects of conifer expansion on selection of sites for nesting and to estimate direction, magnitude, and scale of effects. We classified 160 nests and 167 available sites with random forests during 2010–2011 to assess effects of conifer cover and tree clustering at multiple scales along with other vegetation and topographic covariates on selection of nesting habitat. Relative probability of nesting was negatively associated with >3% conifer cover within 800 m of nests. When trees were present within 800 m of nests, sage‐grouse nested where trees were clustered rather than dispersed, suggesting selection for more open habitat. Results further indicated that sage‐grouse are nesting in landscapes susceptible to conifer expansion that have yet to be invaded. Sage‐grouse are expected to lose nesting habitat as conifer expansion continues, but management intervention may be a possible solution to increase habitat availability where open space for nesting is a limiting factor. © 2016 The Wildlife Society.
S‐World: A Global Soil Map for Environmental Modelling
Authors: Stoorvogel Jetse J. , Bakkenes Michel , Temme Arnaud J. A. M. , Batjes Niels H. , ten Brink Ben J. E.
Published: October 2016

The research community increasingly analyses global environmental problems like climate change and desertification with models. These global environmental modelling studies require global, high resolution, spatially exhaustive, and quantitative data describing the soil profile. This study aimed to develop a pedological approach that takes stock of available legacy and auxiliary data to create a global, 30 arc second soil property database for modelling. The methodology uses the Harmonized World Soil Database and the ISRIC‐WISE 3.1 soil profile database. Auxiliary information at 30 arc second resolution for various landscape properties is used to describe the variation in landscape properties (temperature and precipitation, topography, elevation, land use, and land cover). Complex mapping units of the HWSD were first disaggregated using a digital elevation model and toposequences to generate delineated areas described by a single soil type. Secondly, ranges of soil properties per soil type were determined using the soil profile data. Then a meta‐analysis on a broad literature survey was used to develop a simple model that, based on landscape properties at a particular location, determines the position within these ranges and thus provides an estimation of the local soil properties. Finally, the model was implemented at the global level to determine the distribution of soil properties. The methodology, denominated S‐World (Soils of the world) resulted in readily available, high resolution, global soil property maps that are now available for environmental modelling. © 2016 The Authors Journal of Behavioral Decision Making Published by John Wiley & Sons Ltd.
Mechanically Defined Microgels by Droplet Microfluidics
Authors: Heida Thomas , Neubauer Jens W. , Seuss Maximilian , Hauck Nicolas , Thiele Julian , Fery Andreas
Published: October 2016

Over the last two decades, droplet‐based microfluidics has evolved into a versatile tool for fabricating tailored micrometer‐sized hydrogel particles. Combining precise fluid handling down to femtoliter scale with diverse hydrogel precursor design, it allows for excellent control over microgel size and shape, but also functionalization and crosslinking density. Consequently, it is possible to tune physicochemical and mechanical properties such as swelling, degradation, stimuli sensitivity, and elasticity by microfluidic droplet templates. This has led to a recent trend in applying microgels as experimental platform in cell culturing, drug delivery, sensing, and tissue engineering. This article highlights advances in microfluidic droplet formation as templates for microgels with tailored physicochemical properties. Special focus is put on evolving design strategies for the synthesis of mechanically defined microgels, their applications, and methods for mechanical characterization on single‐particle level.

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Bands in ‐spaces
Authors: Vogt Hendrik , Voigt Jürgen
Published: October 2016

For a general measure space, it is shown that for every bandMinthere exists a decompositionsuch that. The theory is illustrated by an example, with an application to absorption semigroups.
Keeping it in the family: Coevolution of latrunculid sponges and their dominant bacterial symbionts
Authors: Matcher Gwynneth F. , Waterworth Samantha C. , Walmsley Tara A. , Matsatsa Tendayi , Parker‐Nance Shirley , Davies‐Coleman Michael T. , Dorrington Rosemary A.
Published: October 2016

The Latrunculiidae are a family of cold water sponges known for their production of bioactive pyrroloiminoquinone alkaloids. Previously it was shown that the bacterial community associated with a Tsitsikamma sponge species comprises unusual bacterial taxa and is dominated by a novel Betaproteobacterium. Here, we have characterized the bacterial communities associated with six latrunculid species representing three genera (Tsitsikamma, Cyclacanthia, and Latrunculia) as well as a Mycale species, collected from Algoa Bay on the South African southeast coast. The bacterial communities of all seven sponge species were dominated by a single Betaproteobacterium operational taxonomic unit (OTU0.03), while a second OTU0.03 was dominant in the Mycale sp. The Betaproteobacteria OTUs from the different latrunculid sponges are closely related and their phylogenetic relationship follows that of their hosts. We propose that the latrunculid Betaproteobacteria OTUs are members of a specialized group of sponge symbionts that may have coevolved with their hosts. A single dominant Spirochaetae OTU0.03 was present in the Tsitsikamma and Cyclacanthia sponge species, but absent from the Latrunculia and Mycale sponges. This study sheds new light on the interactions between latrunculid sponges and their bacterial communities and may point to the potential involvement of dominant symbionts in the biosynthesis of the bioactive secondary metabolites.
The laparoscopically harvested omentum as a free flap for autologous breast reconstruction
Authors: van Alphen Tert C. , Fechner Maarten R. , Smit Jeroen M. , Slooter Gerrit D. , Broekhuysen Coralien L.
Published: October 2016

Background

In autologous breast reconstruction, abdominal based flaps are by far the most common choice from the wide range of free flaps available. In selected cases, a laparoscopically harvested omental free flap (LHOFF) can be used. Patient satisfaction has not been reported until now. In this article, we report our experience using LHOFF in breast reconstruction including our technique, patient satisfaction, and donor/recipient site complications.

Patients and Methods

Between 2007 and 2014, six patients underwent autologous breast reconstruction with LHOFF. Four patients had undergone radical mastectomy and two patient developed prosthesis complications after lumpectomy and breast augmentation. The omentum was harvested laparoscopically. The gastroepiploic vessels were anastomosed to the internal mammary vessels. A retrospective chart review was performed to retrieve surgical data. All the patients completed a questionnaire about their outcome.

Results

Mean weight of the omentum was 224 g. There were no flap failures. Two patients required a second surgical procedure due to complications. In one patient, a salvage procedure was required due to a venous thrombosis, whereas in the other, there was necrosis of the skin flap. No abdominal complications or volume loss occurred. Mean follow‐up was 30.5 months. The aesthetic results were very satisfactory with minimal scars and good breast volume.

Conclusion

Autologous breast reconstruction using an LHOFF can be used effectively in selected cases. The aesthetic results are pleasing with minimal scarring, good volume, and a soft, natural feeling breast.
Biological Web Service Repositories Review
Authors: Urdidiales‐Nieto David , Navas‐Delgado Ismael , Aldana‐Montes José F.
Published: October 2016

Web services play a key role in bioinformatics enabling the integration of database access and analysis of algorithms. However, Web service repositories do not usually publish information on the changes made to their registered Web services. Dynamism is directly related to the changes in the repositories (services registered or unregistered) and at service level (annotation changes). Thus, users, software clients or workflow based approaches lack enough relevant information to decide when they should review or re‐execute a Web service or workflow to get updated or improved results. The dynamism of the repository could be a measure for workflow developers to re‐check service availability and annotation changes in the services of interest to them. This paper presents a review on the most well‐known Web service repositories in the life sciences including an analysis of their dynamism. Freshness is introduced in this paper, and has been used as the measure for the dynamism of these repositories.
Cheapest paths in dynamic networks
Authors: Di Bartolomeo Marco , Grande Enrico , Nicosia Gaia , Pacifici Andrea
Published: October 2016

Flows over time problems relate to finding optimal flows over a capacitated network where transit times on network arcs are explicitly considered. In this article, we study the problem of determining a minimum cost origin‐destination path where the cost and the travel time of each arc depend on the time taken to travel from the origin to that particular arc along the path. We provide computational complexity results for this problem and an exact solution algorithm based on an enumeration scheme on the corresponding time expanded network. Finally, we show the efficiency of our approach through a number of experimental tests. © 2016 Wiley Periodicals, Inc. NETWORKS, Vol. 69(1), 23–32 2017
A method for representing structural boundaries by mathematical equations and triangle meshes in DEM simulations
Authors: Fang Z. Q. , Hu G. M. , Du J. , Jian B. , Xia R.
Published: October 2016

The representation of structural boundaries is of significant importance for the applications of the discrete element method in an industry. In recent decades, triangle meshes are extensively used for representing structural boundaries. Structural boundaries of industrial objects are composed by regular shapes and irregular shapes in many occasions. A method for representing structural boundaries with regular shapes and irregular shapes has been developed by combining mathematical equations and triangle meshes for computational efficiency. When structural boundaries are represented by mathematical equations and triangle meshes, gaps or protuberances may exist at the connection boundaries between regular shapes and irregular shapes. For the exactness of representation of structural boundaries, gaps or protuberances are identified, expressed and treated successively, so that the geometrical shapes composed by regular shapes described with mathematical equations and irregular shapes described with triangle meshes can replace the original structural shapes. Two series of numerical tests have been conducted to verify this method. The results showed that this method can effectively represent complicated structural boundaries containing regular shapes and irregular shapes and greatly reduce computational cost in the contact detection between particles and structural boundaries. Copyright © 2016 John Wiley & Sons, Ltd.
T‐cell‐rich HLA‐haploidentical hematopoietic stem cell transplantation for relapsed/refractory pediatric Philadelphia chromosome‐positive acute lymphoblastic leukemia without posttransplant tyrosine kinase inhibitor therapy
Authors: Sano Hideki , Mochizuki Kazuhiro , Akaihata Mitsuko , Kobayashi Shogo , Ohto Hitoshi , Kikuta Atsushi
Published: October 2016

Intensive chemotherapy with tyrosine kinase inhibitor (TKI) improves the prognosis of patients with Philadelphia chromosome‐positive acute lymphoblastic leukemia (Ph‐ALL). However, the prognosis of cases of relapsed or refractory Ph‐ALL remains poor. Here, we aimed to assess the efficacy of T‐cell‐rich HLA‐haploidentical hematopoietic stem cell transplantation (TCR‐haplo‐HSCT) in eight patients with relapsed or refractory pediatric Ph‐ALL. Transplant‐related mortality was observed in two patients. All patients discontinued TKI after receiving TCR‐haplo‐HSCT. The 3‐year probability of overall survival and event‐free survival was 75.0 and 62.5%, respectively. These results indicate the efficacy of TCR‐haplo‐HSCT for relapsed/refractory pediatric Ph‐ALL.