bluuebunny/crossref_metadata_2025 huggingface dataset:
Using stiffness to assess injury risk: comparison of methods for quantifying stiffness and their reliability in triathletes
Authors: Lorimer Anna V. , Keogh Justin W.L. , Hume Patria A.
Published: October 2018

Background

A review of the literature has indicated that lower body stiffness, defined as the extent to which the lower extremity joints resists deformation upon contact with the ground, may be a useful measure for assessing Achilles injury risk in triathletes. The nature of overuse injuries suggests that a variety of different movement patterns could conceivably contribute to the final injury outcome, any number and combination of which might be observed in a single individual. Measurements which incorporate both kinetics and kinematics (such as stiffness) of a movement may be better able to shed light on individuals at risk of injury, with further analysis then providing the exact mechanism of injury for the individual. Stiffness can be measured as vertical, leg or joint stiffness to model how the individual interacts with the environment upon landing. However, several issues with stiffness assessments limit the effectiveness of these measures to monitor athletes’ performance and/or injury risk. This may reflect the variety of common biomechanical stiffness calculations (dynamic, time, true leg and joint) that have been used to examine these three stiffness levels (vertical, leg and joint) across a variety of human movements (i.e. running or hopping) as well as potential issues with the reliability of these measures, especially joint stiffness. Therefore, the aims of this study were to provide a comparison of the various methods for measuring stiffness during two forms of human bouncing locomotion (running and hopping) along with the measurement reliability to determine the best methods to assess links with injury risk in triathletes.

Methods

Vertical, leg and joint stiffness were estimated in 12 healthy male competitive triathletes on two occasions, 7 days apart, using both running at 5.0 ms−1 and hopping (2.2 Hz) tasks.

Results

Inter-day reliability was good for vertical (ICC = 0.85) and leg (ICC = 0.98) stiffness using the time method. Joint stiffness reliability was poor when assessed individually. Reliability was improved when taken as the sum of the hip, knee and ankle (ICC = 0.86). The knee and ankle combination provided the best correlation with leg stiffness during running (Pearson’s Correlation = 0.82).

Discussion

The dynamic and time methods of calculating leg stiffness had better reliability than the “true” method. The time and dynamic methods had the best correlation with the different combinations of joint stiffness, which suggests that they should be considered for biomechanical screening of triathletes. The knee and ankle combination had the best correlation with leg stiffness and is therefore proposed to provide the most information regarding lower limb mechanics during gait in triathletes.
Habitat fragmentation is linked to cascading effects on soil functioning and CO2emissions in Mediterranean holm-oak-forests
Authors: Flores-Rentería Dulce , Rincón Ana , Morán-López Teresa , Hereş Ana-Maria , Pérez-Izquierdo Leticia , Valladares Fernando , Curiel Yuste Jorge
Published: October 2018

We studied key mechanisms and drivers of soil functioning by analyzing soil respiration and enzymatic activity in Mediterranean holm oak forest fragments with different influence of the agricultural matrix. For this, structural equation models (SEM) were built including data on soil abiotic (moisture, temperature, organic matter, pH, nutrients), biotic (microbial biomass, bacterial and fungal richness), and tree-structure-related (basal area) as explanatory variables of soil enzymatic activity and respiration. Our results show that increased tree growth induced by forest fragmentation in scenarios of high agricultural matrix influence triggered a cascade of causal-effect relations, affecting soil functioning. On the one hand, soil enzymatic activity was strongly stimulated by the abiotic (changes in pH and microclimate) and biotic (microbial biomass) modifications of the soil environment arising from the increased tree size and subsequent soil organic matter accumulation. Soil CO2emissions (soil respiration), which integrate releases from all the biological activity occurring in soils (autotrophic and heterotrophic components), were mainly affected by the abiotic (moisture, temperature) modifications of the soil environment caused by trees. These results, therefore, suggest that the increasing fragmentation of forests may profoundly impact the functioning of the plant-soil-microbial system, with important effects over soil CO2emissions and nutrient cycling at the ecosystem level. Forest fragmentation is thus revealed as a key albeit neglected factor for accurate estimations of soil carbon dynamics under global change scenarios.
Simultaneous Boron Ion‐Channel/Growth Factor Receptor Activation for Enhanced Vascularization
Authors: Rico Patricia , Rodrigo‐Navarro Aleixandre , de la Peña Marcos , Moulisová Vladimira , Costell Mercedes , Salmerón‐Sánchez Manuel
Published: October 2018

Boron ion is essential in metabolism and its concentration is regulated by ion‐channel NaBC1. NaBC1 mutations cause corneal dystrophies such as Harboyan syndrome. Here a 3D molecular model for NaBC1 is proposed and it is shown that simultaneous stimulation of NaBC1 and vascular endothelial growth factor receptors (VEGFR) promotes angiogenesis in vitro and in vivo with ultralow concentrations of VEGF. Human umbilical vein endothelial cells' (HUVEC) organization into tubular structures is shown to be indicative of vascularization potential. Enhanced cell sprouting is found only in the presence of VEGF and boron, the effect abrogated after blocking NaBC1. It is demonstrated that stimulated NaBC1 promotes angiogenesis via PI3k‐independent pathways and that α5β1/αvβ3 integrin binding is not essential to enhanced HUVEC organization. A novel vascularization mechanism that involves crosstalk and colocalization between NaBC1 and VEGFR receptors is described. This has important translational consequences; just by administering boron, taking advantage of endogenous VEGF, in vivo vascularization is shown in a chorioallantoic membrane assay.
Electronic Detection of Oxygen Adsorption and Size‐Specific Doping of Few‐Atom Gold Clusters on Graphene
Authors: Scheerder Jeroen E. , Liu Shuanglong , Zharinov Vyacheslav S. , Reckinger Nicolas , Colomer Jean‐François , Cheng Hai‐Ping , Van de Vondel Joris , Janssens Ewald
Published: October 2018

Graphene's sensitivity to adsorbed particles has attracted widespread attention because of its potential sensor applications. Size‐selected few‐atom clusters are promising candidates as adparticles to graphene. Due to their small size, physicochemical properties are dominated by quantum size effects. In particular, few‐atom gold clusters demonstrate a significant catalytic activity in various oxidation reactions. In this joint experimental and computational work, size‐selected gold clusters with 3 and 6 atoms adsorbed on graphene field‐effect transistors and their interaction with molecular oxygen are investigated. While oxygen adsorbs at both cluster sizes, there is a pronounced cluster size dependence in the corresponding doping, as demonstrated via first‐principle calculations and electronic transport measurements. Furthermore, the doping of gold cluster decorated graphene changes sign from n‐ to p‐doping upon oxygen adsorption, directly evidencing electron transfer to the oxygen molecules and hence their activation. These observations pinpoint graphene as a valuable platform to investigate and exploit size‐dependent cluster properties.
Brønsted Acid‐Catalyzed Direct C(sp2)−H Heteroarylation Enabling the Synthesis of Structurally Diverse Biaryl Derivatives
Authors: Yuan Shuo , Yu Bin , Liu Hong‐Min
Published: October 2018

Biaryl scaffold is an important class of structural frameworks that exists in many natural products and drug molecules. The development of transition metal‐catalyzed approaches for the efficient construction of biaryl scaffolds has long been pursued because of the interesting structural features and broad biological profiles of biaryl scaffolds. Herein, we describe the Brønsted acid‐catalyzed direct C(sp2)−H heteroarylation that enables the synthesis of biaryl fragments (70 examples) in moderate to excellent yields (up to 99% yield), which was also performed at a gram scale and successfully applied to the privileged quinazoline scaffolds of the first‐generation epidermal growth factor receptor (EGFR) inhibitors Gefitinib and Erlotinib, offering rapid access to a series of quinazoline‐based biaryl compounds. Additionally, the late‐stage diversifications were performed based on the compound 3 b, generating a library of structurally diverse and complex biaryl compounds.

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Electrocatalytic Production of Hydrogen Peroxide with Poly(3,4‐ethylenedioxythiophene) Electrodes
Authors: Mitraka Evangelia , Gryszel Maciej , Vagin Mikhail , Jafari Mohammad Javad , Singh Amritpal , Warczak Magdalena , Mitrakas Manassis , Berggren Magnus , Ederth Thomas , Zozoulenko Igor , Crispin Xavier , Głowacki Eric Daniel
Published: October 2018

Electrocatalysis for energy‐efficient chemical transformations is a central concept behind sustainable technologies. Numerous efforts focus on synthesizing hydrogen peroxide, a major industrial chemical and potential fuel, using simple and green methods. Electrochemical synthesis of peroxide is a promising route. Herein it is demonstrated that the conducting polymer poly(3,4‐ethylenedioxythiophene), PEDOT, is an efficient and selective heterogeneous catalyst for the direct reduction of oxygen to hydrogen peroxide. While many metallic catalysts are known to generate peroxide, they subsequently catalyze decomposition of peroxide to water. PEDOT electrodes can support continuous generation of high concentrations of peroxide with Faraday efficiency remaining close to 100%. The mechanisms of PEDOT‐catalyzed reduction of O2 to H2O2 using in situ spectroscopic techniques and theoretical calculations, which both corroborate the existence of a chemisorbed reactive intermediate on the polymer chains that kinetically favors the selective reduction reaction to H2O2, are explored. These results offer a viable method for peroxide electrosynthesis and open new possibilities for intrinsic catalytic properties of conducting polymers.
Handling sensor faults in economic model predictive control of batch processes
Authors: Rashid Mudassir M. , Patel Nikesh , Mhaskar Prashant , Swartz Christopher L. E.
Published: October 2018

The problem of sensor fault detection and isolation (FDI) and fault‐tolerant economic model predictive control (FT‐EMPC) for batch processes is addressed. To this end, we first model batch processes using subspace‐based system identification techniques. The analytical redundancy within the identified model is subsequently exploited to detect, isolate, and handle the faulty measurements. The reconciled fault‐free measurements are then incorporated in an economic model predictive controller formulation. Simulation case studies involving the application of the proposed data‐driven FDI and FT‐EMPC algorithms to the energy intensive electric arc furnace process illustrate the improvement in economic performance under various fault scenarios. © 2018 American Institute of Chemical Engineers AIChE J, 65: 617–628, 2019
Surgical simulation of a catastrophic internal carotid artery injury: a laser‐sintered model
Authors: Maza Guillermo , VanKoevering Kyle K. , Yanez‐Siller Juan C. , Baglam Tekin , Otto Bradley A. , Prevedello Daniel M. , Carrau Ricardo L.
Published: October 2018

Background

The catastrophic and rare nature of an internal carotid artery (ICA) injury during endonasal surgery limits training opportunities. Cadaveric and animal simulation models have been proposed, but expense and complicated logistics have limited their adoption. Three‐dimensional (3D) printed models are portable, modular, reusable, less costly, and proven to improve psychomotor skills required for managing different lesions. In this study we evaluate the role of a simplified laser‐sintered model combined with standardized training in improving the effectiveness of managing an ICA injury endoscopically.

Methods

A 3‐mm defect was created in the parasellar carotid canal of a laser‐sintered model representing a sphenoid sinus. Artificial blood was directed to simulate the copious bleeding arising from an ICA injury. Twenty otolaryngologists and 26 neurosurgeons, with varying training and experience levels, were individually asked to stop the “bleeding" as they would in a clinical scenario, and provided no other instructions. This was followed by individualized formative training and a second simulation. Volume of blood loss, time to hemostasis, and self‐assessed confidence scores were compared.

Results

At the end of the study, time to hemostasis was reduced from 105.49 seconds to 40.41 seconds (p < 0.001). The volume of blood loss was reduced from 690 to 272 mL (p < 0.001), and the confidence scores increased in 95.7% of participants, from an average of 3 up to 8.

Conclusion

This ICA injury model, along with a formal training algorithm, appears to be valuable, realistic, portable, and cost‐effective. Significant improvement in all parameters suggests the acquisition of psychomotor skills required to control an ICA injury.
Perfluorocarbon‐Based 19F MRI Nanoprobes for In Vivo Multicolor Imaging
Authors: Akazawa Kazuki , Sugihara Fuminori , Nakamura Tatsuya , Matsushita Hisashi , Mukai Hiroaki , Akimoto Rena , Minoshima Masafumi , Mizukami Shin , Kikuchi Kazuya
Published: October 2018

In vivo multicolor imaging is important for monitoring multiple biomolecular or cellular processes in biology. 19F magnetic resonance imaging (MRI) is an emerging in vivo imaging technique because it can non‐invasively visualize 19F nuclei without endogenous background signals. Therefore, 19F MRI probes capable of multicolor imaging are in high demand. Herein, we report five types of perfluorocarbon‐encapsulated silica nanoparticles that show 19F NMR peaks with different chemical shifts. Three of the nanoprobes, which show spectrally distinct 19F NMR peaks with sufficient sensitivity, were selected for in vivo multicolor 19F MRI. The nanoprobes exhibited 19F MRI signals with three colors in a living mouse. Our in vivo multicolor system could be utilized for evaluating the effect of surface functional groups on the hepatic uptake in a mouse. This novel multicolor imaging technology will be a practical tool for elucidating in vivo biomolecular networks by 19F MRI.
OR Air Quality: Is It Time to Consider Adjunctive Air Cleaning Technology?
Authors: Barnes Sue , Twomey Carolyn , Carrico Ruth , Murphy Cathryn , Warye Kathy
Published: October 2018

Patients undergoing surgery may be at risk for infection from airborne particles such as dust, skin scales, respiratory aerosols, and hair fibers emanating from multiple sources in the OR, including personnel, heater‐cooler devices, and surgical smoke. This risk is increased in surgical patients undergoing procedures involving implanted devices. Surgical personnel also are at risk from exposure to surgical smoke, which can contain viable viral particles including human papillomavirus infection. Air quality in the OR is improved by engineering controls (eg, maintaining positive pressure). During the past decade, innovations in the field of adjunctive technology designed to improve OR air quality include using ultraviolet disinfection and mobile ultraviolet disinfection plus high‐efficiency particulate air filtration. Some of these technologies additionally provide continuous monitoring of circulating air particle counts. Additional research regarding the benefits of adjunctive air‐cleaning technology in the OR is warranted.
Toughened and hydrophobically modified polyamide 11 copolymers with dimer acids derived from waste vegetable oil
Authors: Park Min Su , Lee Sangjun , Kim A Ryeon , Choi Inwoo , Shin Jihoon , Kim Young‐Wun
Published: October 2018

A series of dimer acid (DA)‐modified polyamide 11 copolymers is synthesized via melt polycondensation from 11‐aminoundecanoic acid, hexamethylene diamine (HMDA), and DA, prepared by the hydrolysis of waste vegetable oil and a subsequent Diels–Alder reaction. The molecular structures and the polymers' molar masses are characterized by nuclear magnetic resonance, Fourier‐transform infrared spectroscopy, size exclusion chromatography. The thermal and mechanical properties are modified with increasing the composition of DA in PA copolymers by increasing the chain irregularity of the PA, thereby reducing the hydrogen bonding strength of the amide groups. Finally, water contact angle and water absorption experiments show that the hydrophobicity of DA‐modified PA copolymers is increased as compared to neat PA11. As a result, these thermoplastic materials could offer improved sustainability and performances by the addition of renewable DA monomer in PA copolymers. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2019,136, 47174.
Interpenetrating polymers networks derived from silylated soybean oil and water soluble polysiloxanes
Authors: Dewasthale Sudhanwa , Andrews Caleb , Narayan Ramani , Graiver Daniel
Published: October 2018

A series of interpenetrating polymer networks (IPNs) with different compositions were prepared from emulsions of silylated soybean oil (SilSoy) and hydrophilic polysiloxanes (HPPS). Silylation of the soybean oil was achieved via the “Ene reaction” and the water soluble polysiloxanes were prepared by hydrolysis and condensation polymerization of 3‐aminopropyldiethoxymethylsilane followed by a reaction with ethylene carbonate. Unlike the triglyceride structure of SilSoy, HPPS are water soluble, linear polysiloxanes having a pendant hydroxyl group on every siloxane. Evaporation of the water phase from emulsions of SilSoy in aqueous solutions of HPPS yielded crosslinked IPN films composed of silanols and carbinol condensations that formed stable siloxanes (SiOSi) crosslink linkages as well as hydrolysable silicone‐carbinol (SiOC) linkages. The entangled network that was obtained is characterized by intimate mixing of these incompatible phases with a typical IPN microphase separation. The crosslink density between the dispersed phase and the continuous phase was correlated with the swell‐gel data. The mechanical and thermal properties were also studied and were correlated with the composition and the crosslinks density. These IPNs can be used as convenient environmentally degradable control release systems via the hydrolysis of the SiOC linkages. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47182.
Asphalt modified with reactive tri‐block polymers obtained by via reversible addition‐fragmentation chain transfer polymerization
Authors: Vargas M. A. , Benvenuta Tapia J. J. , Sánchez A. , Manero O.
Published: October 2018

In this work, asphalt modifiers consisting of a series of poly(glycidyl methacrylate‐ran‐styrene)‐block‐poly(butyl acrylate)‐block‐poly(glycidyl methacrylate‐ran‐styrene) tri‐block copolymers (GS‐BA‐GS) were synthesized via reversible addition‐fragmentation chain transfer polymerization. Particular attention is given to the influence of controlled copolymer structures on the physical properties, morphology, thermal stability, and rheological behavior of the asphalt blends. Results show that the degree of asphalt modification is a function of the copolymer structure in relation to the epoxide content in the chain ends of the copolymers. The rheological, thermal, and microstructure analyses reveal that the addition of reactive copolymers increases chemical interactions with the polar fraction of asphalt. Absence of gelation in addition to improvements in viscosity, elasticity, storage stability are observed in the blends with GMA concentrations of 2%–4% with respect to copolymers without functional groups. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47201.
Cassava bagasse as a reinforcement agent in the polymeric blend of biodegradable films
Authors: de Carvalho Guilherme Ribeiro , Marques Geovana Silva , de Matos Jorge Luiz Mario , Jorge Regina Maria Matos
Published: October 2018

The objective of this work was to develop biodegradable films using fibrous residue from the extraction of cassava starch and to investigate its effect as a reinforcement agent in polymeric films. Micrographs (SEM) showed that the obtained films presented smooth surfaces with no cracking. The addition of fibers affected the properties of the films significantly (p < 0.05), reducing water vapor permeability values (from 8.63 ± 0.15 × 10−11 g.m.m−2.s−1.Pa−1 to 3.33 ± 0.16 × 10−11 g.m.m−2.s−1.Pa−1) and increasing the maximum tensile strength (from 1.23 ± 0.15 MPa to 7.78 ± 0.83 MPa). These results encourage the use of cassava bagasse as a reinforcement in the production of green composites as packaging. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47224.
Robust Mixed Performance of Continuous Switched Systems with Time Delay
Authors: Lien Chang‐Hua , Yu Ker‐Wei , Chang Hao‐Chin
Published: October 2018

In this paper, the robust mixed H2/H∞ performance analysis of switched time‐delay systems with linear fractional perturbations and distributed delay via a switching signal selection is considered. Some delay‐dependent LMI‐based criteria are proposed to achieve the design of the switching signal. Our approach is guaranteed by the new proposed inequality in recent years. Finally, some numerical examples are illustrated to show the main results.
A Sliding Mode Multiobserver Based on an Uncoupled Multimodel: An Application on a Transesterification Reaction
Authors: Montacer Nesrine , Dehri Khadija , Ben Atia Samah , Ben Abdennour Ridha
Published: October 2018

This paper concerns the design of robust sliding mode multiobserver for nonlinear systems. A discrete uncoupled multimodel structure is retained for the modeling of nonlinear systems. Unlike the classically used multimodel structures, the retained uncoupled multimodel is known by its flexibility of modeling, thus, the structures of the partial models are adapted to the complexity of the local models in each operating zone. Sufficient conditions are provided, in terms of linear matrix inequalities (LMIs), to ensure the asymptotic stability of the proposed sliding mode multiobserver. A convergence analysis is achieved to obtain the convergence radius. A numerical example and a real time application on a transesterification reactor are carried out to illustrate, once again, the performance of the proposed sliding mode multiobserver in terms of precision and rapidity of convergence.
Der verlorene Schalenbau der jungen Sowjetunion (1922–1939)
Authors: Arkhipkina Olga
Published: October 2018

Im Vergleich zu deutschen und französischen Errungenschaften auf dem Gebiet des Schalenbaus sind die Entwicklungen in der frühen Sowjetunion bis auf wenige Publikationen der Fachwelt bisher weitestgehend unbekannt geblieben. Mit dem folgenden Beitrag soll versucht werden, den sowjetischen Schalenbau anhand eines geschichtlichen Rückblicks in den internationalen Kontext einzuordnen. Neben einigen Bauwerken und Ideen sollen auch hinter den Projekten stehende Persönlichkeiten sowie einige einflussgebende politische Zusammenhänge beleuchtet werden.
A sensitive LC–MS/MS method for the determination of triptolide and its application to pharmacokinetic research in rats
Authors: Xu Ye , Chen Xiaoyan , Zhong Dafang
Published: October 2018

Triptolide is one of the main active ingredients of Tripterygium wilfordii Hook. F. In this study, a sensitive LC–MS/MS method was established and validated to determine the concentration of triptolide in rat plasma. Triptolide and an internal standard [(5R)‐5‐hydroxytriptolide] were extracted from 100 μL of rat plasma with acetonitrile, and the dried residue was then reconstituted and reacted with benzylamine to produce benzylamine triptolide and benzylamine (5R)‐5‐hydroxytriptolide. Derivatization increased the sensitivity of triptolide detection by ~100‐fold. Quantification was performed using a QTRAP 5500 tandem mass spectrometer with positive electrospray ionization in multiple reaction monitoring mode with an ion transition m/z 468.5 → 192.0 for benzylamine triptolide and m/z 484.3 → 192.1 for benzylamine (5R)‐5‐hydroxytriptolide. Good linearity was observed in the range of 0.030–100 ng/mL with a lower limit of quantitation of 0.030 ng/mL. The intra‐ and inter‐day precision was <6.5%, and the accuracy ranged from −11.7 to −4.4%. The recovery remained consistent and was reproducible at different concentrations. This method was successfully applied to the study of triptolide drug–drug interactions in Sprague–Dawley rats. With the use of itraconazole (40 mg/kg, p.o.) as a CYP3A inhibitor, the plasma exposure of triptolide in rats was increased by 36%.
The role of intuitive moral foundations in Britain's vote on EU membership
Authors: Harper Craig A. , Hogue Todd E.
Published: October 2018

In June 2016, British voters took part in a referendum on the United Kingdom's membership of the European Union (EU). By a margin of 52% to 48%, they voted to leave. Studies have demonstrated that fixed demographic factors were the best predictors of voting intentions in either direction, or that “leave” voters were driven by perceived threats from immigration. In this paper, we examine the role of moral intuitions in referendum voting intentions. In Study , demographic variables did not predict voting intentions after adding psychological variables to our statistical model. Instead, voting leave was predicted by political conservatism, social change insecurities, and placing moral importance on personal liberty. In contrast, only an adherence to the care foundation of morality predicted “remain” voting. These findings were also reflected in linguistic analyses of campaign materials and news items (Study ). We discuss these data in relation to common discourses around the Brexit vote.
Consumers' Bayesian learning under Knightian uncertainty: An eye‐tracking analysis
Authors: Song Hongjuan , Jiang Yushi
Published: October 2018

In recent years, risky decisions and the “gambling paradigm” have been mainstream topics in economics and psychology research. However, the choice of Knightian uncertainty, especially as it relates to the potential cognitive processes of consumers in marketing, has not drawn the attention of scholars. This study introduced Bayesian learning theory to reproduce the consumer learning process and conducted a two‐stage experiment to explore the process of how perceived price and uncertain quality information influence consumer learning and decisions. The results were validated via an eye‐tracking experiment with dynamic (updated) advertising information to observe the learning mechanism of consumers under Knightian uncertainty. The results showed that consumers conduct irregular Bayesian learning based on different perceived price levels in different information state spaces. Belief changes follow the first‐order Markov learning rule, and Bayesian learning is a dual‐system process. Overall, the results are in line with the belief‐integration principle of the Bayesian learning model under Knightian uncertainty.
Click. Coordinate. Catalyze. Using CuAAC Click Ligands in Small‐Molecule Model Chemistry of Tyrosinase
Authors: Herzigkeit Benjamin , Flöser Benedikt M. , Meißner Nadja E. , Engesser Tobias A. , Tuczek Felix
Published: October 2018

Three triazolylmethylpyridine ligands are synthesized using the copper‐catalyzed azide‐alkyne cycloaddition (CuAAC). The corresponding copper(I) complexes are investigated as catalysts for the oxygenation of several monophenols, in analogy to the enzyme tyrosinase. Importantly, they show a higher catalytic activity than previously investigated systems. This is ascribed to the lower charge donation of the electron‐poor triazole heterocycle, supporting the hydroxylation of phenolic substrates by an electrophilic substitution mechanism.
Effective CoxSy Hydrogen Evolution Reaction Electrocatalysts Fabricated by In Situ Sulfuration of a Metal–Organic Framework
Authors: Sun Xiaowen , Huang Hui , Wang Chaopeng , Liu Yingying , Hu Tong‐Liang , Bu Xian‐He
Published: October 2018

The front cover artwork is provided by Xiaowen Sun and Dr. Tong‐Liang Hu from Nankai University (Tianjin, China). The image shows the compound‐type cobalt sulfide Co9S8/CoS1.097/rGO derived from a metal–organic framework and its electrocatalytic application in the hydrogen evolution reaction. Read the full text of the Article at 10.1002/celc.201801238.
Chemometric study of chromatographic and computational bioactivity parameters of diphenylacetamides
Authors: Vastag Gyöngyi , Apostolov Suzana , Mijin Dušan , Grbović Ljubica , Kaurinović Biljana
Published: October 2018

Selected chemometric methods were used to form models that define the qualitative and quantitative dependence between the chemical structure and the parameters of potential biological activity (lipophilicity, retention, pharmacokinetic, and toxic properties) of the selected diphenylacetamide derivatives. The chromatographic retention parameters of the selected diphenylacetamides were determined by applying reversed‐phase thin‐layer chromatography (RPTLC) on C18 and cyano modified carriers in mixtures of water‐methanol and water‐acetone. It was found that the polarity of the substituent R has dominant influence and its electronic effects to a lesser extent, on the studied parameters of the biological activity of diphenylacetamides. Also, results suggest a better similarity of the retention constants, RM0, with parameters of lipophilicity and pharmacokinetic predictors. Contrary to that, chromatographic parameter, m, exhibits a greater resemblance with toxicity parameters.
ACHEMA 2018 – Drying Technologies
Authors: Balke Tobias , Fröhlich Jakob , Gschwind Peter , Kohlus Reinhard
Published: October 2018

Dieser Beitrag fasst die Neuheiten, Trends und Besonderheiten der Trocknungstechnik zusammen, die auf der ACHEMA 2018 ausgestellt waren. Ein Schwerpunkt ist die Anwendung von Virtual‐Reality‐ bzw. Augmented‐Reality‐Verfahren, die z. B. bei der Anlagenplanung und Prozessoptimierung eingesetzt werden. Einen hohen Stellenwert haben auch leichte Reinigbarkeit und Hygienic Design. Weitere Abschnitte befassen sich mit den firmenspezifischen Innovationen für die verschiedenen Trocknungsverfahren von Standardverfahren wie Wirbelschichttrocknung bis zu Spezialtrocknern z. B. für die Herstellung von Batteriemassen.
Membrane separation system for coal‐fired flue gas reclamation: Process planning and initial design
Authors: Ruan Xuehua , Xiao Hongyan , Shou Jianxiang , Huang Aibin , Xiao Wu , He Gaohong
Published: October 2018

Membrane separation is highly expected for enriching CO2 from flue gases, but the inadequacy in separation efficiency and production capacity should not be overlooked. Process planning and initial design with multi‐product and energy recovery approach is attempted in this work to ameliorate this limitation. Three retrofitting options are considered: the novel constraint mode with the local permeate CO2 concentration that is always higher than the feed stream concentration is proposed for CO2 enrichment to increase the output of the CO2‐enriched product (with a general mode, the local permeate stream that is more diluted than the feed stream mixes in the permeate bulk); the turbine unit is used to take back the static energy in membrane residue; and the multi‐product option with N2 purification would have the advantage that N2 has been enriched greatly after CO2 separation. According to the comprehensive comparison conducted in this study, the retrofitted process involving both the novel constraint mode and the multi‐product approach is the most effective for saving energy and enhancing production capacity. Crude CO2 (50 vol%) and N2 (99 vol%) would be generated simultaneously. In addition, the positive performance has been demonstrated by process simulation and economical analysis with both a normal polysulphone membrane and a novel Polaris membrane. On the whole, membrane separation system retrofitting with multi‐product and energy recovery approach together should be an effectual approach to promote carbon capture, storage, and utilization.
Identification of Specific and Nonspecific Inhibitors of Bacillus anthracis Type III Pantothenate Kinase (PanK)
Authors: Shapiro Justin A. , Varga John J. , Parsonage Derek , Walton William , Redinbo Matthew R. , Ross Larry J. , White E. Lucile , Bostwick Robert , Wuest William M. , Claiborne Al , Goldberg Joanna B.
Published: October 2018

Antibiotics with novel mechanisms of action are desperately needed to combat the increasing rates of multidrug‐resistant infections. Bacterial pantothenate kinase (PanK) has emerged as a target of interest to cut off the biosynthesis of coenzyme A. Herein we report the results of an in vitro high‐throughput screen of over 10 000 small molecules against Bacillus anthracis PanK, as well as a follow‐up screen of hits against PanK isolated from Pseudomonas aeruginosa and Burkholderia cenocepacia. Nine hits are structurally categorized and analyzed to set the stage for future drug development.
Automatic color classification via Munsell system for archaeology
Authors: Milotta Filippo Luigi Maria , Tanasi Davide , Stanco Filippo , Pasquale Stefania , Stella Giuseppe , Gueli Anna Maria
Published: October 2018

Munsell soil charts are commonly used in archaeology to identify colors of soils and artifacts during excavations. In situ, the procedure is done by visual means and in a very subjective way, resulting in a time consuming and error‐prone approach. To overcome these limitations, an original application has been developed: the automatic recognition of color for archaeology (ARCA). ARCA is a framework thought to be a valuable asset for archaeologists since it may be objective, deterministic, and fast. In this framework, it is possible to convert RGB data to HVC color space. Users may import images in ARCA through a proper desktop application, which also allows operators to sample RGB manually data. Then, HVC notation is automatically estimated and provided to operators within an automatically generated filled report. ARCA moves from Munsell charts, but it has the advantage of providing an objective and affordable color specification system. In this study, we present the results related to data acquired in a controlled lightning environment with a color assessment cabinet on Munsell soil color charts to try to improve the lightness estimation. We focused on two color space conversions: RGB to HVC, and RGB to L*a*b* of CIELAB color space. Color coordinates are obtained through colorimetric measurements. We developed a method with three main phases, and we computed transformation coefficients from observed and ground truth data. The color accuracy of our method is presented in terms of Godlove distance and through CIEDE1976, CIEDE2000, ΔL*, Δa*, and Δb* CIE metrics.
Obfuscation versus enhancement as corporate social responsibility disclosure strategies
Authors: Martínez‐Ferrero Jennifer , Suárez‐Fernández Oscar , García‐Sánchez Isabel‐María
Published: October 2018

Building upon impression management, the objective of this paper is to analyse the enhancement or obfuscation strategies of reporting corporate social responsibility (CSR) information. Concretely, this paper aims to examine the association between the CSR performance of the firm and the socially responsible disclosure strategy adopted by managers to obtain insights into the factors associated with balance, accuracy, clarity, comparability, and reliability of information. A sample of 273 international companies from the year 2007 to 2014 was used to develop our models of analysis. The results show that, according to an obfuscation disclosure strategy, firms with the worst CSR performance disclose information that is less balanced, accurate, and clear; moreover, these reports incorporate more optimistic, longer, and less readable information. Within the realm of impression‐management strategy, firms use thematic content and verbal tone manipulation as well as quantity and syntactical reading as impression‐management tools.
Detection of tumor cells of serous tubal intraepithelial carcinoma (STIC) in cervical smears and rapid development of the ovarian involvement: A case report
Authors: Shintaku Masayuki , Taniguchi Hiromi , Yamamoto Yoshihiro , Kono Fumihiko , Sumitomo Masahiro
Published: October 2018

Serous tubal intraepithelial carcinoma (STIC) has attracted attention as a precursor lesion of high‐grade serous carcinoma (HGSC) of the ovary. We report the rare case of a woman in whom adenocarcinoma cells were detected in cervical smears and demonstrated to be derived from STIC in the fimbria. The patient was a 48‐year‐old woman, in whom cervical smears contained adenocarcinoma cells, but cervical conization did not reveal adenocarcinoma. Because the post‐conization smears again demonstrated adenocarcinoma cells, hysterectomy with bilateral salpingectomy was performed 16 months after the first detection of adenocarcinoma cells in cervical smears. Histopathological examination demonstrated STIC in the fimbria of the left fallopian tube. Bilateral ovaries appeared grossly normal at that time, but oophorectomy, which was performed 3 months later, disclosed HGSC involving the surface of bilateral ovaries. Detection of carcinoma cells from STIC in cervical smears is of marked significance for the management of patients, and we should keep in mind the possibility that adenocarcinoma cells in cervical smears are derived from STIC. The postoperative outcome of patients with STIC is considered generally favorable, and the clinical course of the present patient, in whom HGSC involving the bilateral ovaries was found shortly after salpingectomy, is exceptional.
Selective cytotoxic activity and DNA damage by an epoxyalkyl galactopyranoside
Authors: Burgos‐Morón Estefanía , Pastor Nuria , Orta Manuel Luis , Jiménez‐Alonso Julio José , Vega‐Holm Margarita , Vega‐Pérez José Manuel , Iglesias‐Guerra Fernando , Mateos Santiago , López‐Lázaro Miguel , Calderón‐Montaño José Manuel
Published: October 2018

Preclinical Research & Development

Several clinically useful anticancer drugs selectively kill cancer cells by inducing DNA damage; the genomic instability and DNA repair defects of cancer cells make them more vulnerable than normal cells to the cytotoxicity of DNA‐damaging agents. Because epoxide‐containing compounds can induce DNA damage, we have used the 3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide (MTT) assay to evaluate the selective cytotoxicity of three epoxyalkyl galactopyranosides against A549 lung cancer cells and MRC‐5 lung normal cells. Compound (2S,3S)‐2,3‐epoxydecyl 4,6‐O‐(S)‐benzylidene‐β‐d‐galactopyranoside (EDBGP) showed the highest selective anticancer activity and was selected for mechanistic studies. After observing that EDBGP induced cellular DNA damage (comet assay), we found that cells deficient in nucleotide excision repair were hypersensitive to the cytotoxicity of this compound; this suggests that EDBGP may induce bulky DNA adducts. EDBGP did not inhibit glycolysis (glucose consumption and lactate production). Pretreatment of lung cancer cells with several antioxidants did not reduce the cytotoxicity of EDBGP, thereby indicating that reactive oxygen species do not participate in the anticancer activity of this compound. Finally, EDBGP was screened against a panel of cancer cells and normal cells from several tissues, including three genetically modified skin fibroblasts with increasing degree of malignancy. Our results suggest that epoxyalkyl galactopyranosides are promising lead compounds for the development of new anticancer agents.
Using human sequencing to guide craniofacial research
Authors: Liegel Ryan P. , Finnerty Erin , Blizzard Lauren , DiStasio Andrew , Hufnagel Robert B. , Saal Howard M. , Sund Kristen L. , Prows Cynthia A. , Stottmann Rolf W.
Published: October 2018

A recent convergence of technological innovations has re‐energized the ability to apply genetics to research in human craniofacial development. Next‐generation exome and whole genome sequencing have significantly dropped in price, making it relatively trivial to sequence and analyze patients and families with congenital craniofacial anomalies. A concurrent revolution in genome editing with the use of the CRISPR‐Cas9 system enables the rapid generation of animal models, including mouse, which can precisely recapitulate human variants. Here, we summarize the choices currently available to the research community. We illustrate this approach with the study of a family with a novel craniofacial syndrome with dominant inheritance pattern. The genomic analysis suggested a causal variant in AMOTL1 which we modeled in mice. We also made a novel deletion allele of Amotl1. Our results indicate that Amotl1 is not required in the mouse for survival to weaning. Mice carrying the variant identified in the human sequencing studies, however, do not survive to weaning in normal ratios. The cause of death is not understood for these mice complicating our conclusions about the pathogenicity in the index patient. Thus, we highlight some of the powerful opportunities and confounding factors confronting current craniofacial genetic research.
Efficient genome editing using CRISPR‐Cas‐mediated homology directed repair in the ascidian Ciona robusta
Authors: Pickett C. J. , Zeller Robert W.
Published: October 2018

Eliminating or silencing a gene's level of activity is one of the classic approaches developmental biologists employ to determine a gene's function. A recently developed method of gene perturbation called CRISPR‐Cas, which was derived from a prokaryotic adaptive immune system, has been adapted for use in eukaryotic cells. This technology has been established in several model organisms as a powerful and efficient tool for knocking out or knocking down the function of a gene of interest. It has been recently shown that CRISPR‐Cas functions with fidelity and efficiency in Ciona robusta. Here, we show that in C. robusta CRISPR‐Cas mediated genomic knock‐ins can be efficiently generated. Electroporating a tissue‐specific transgene driving Cas9 and a U6‐driven gRNA transgene together with a fluorescent protein‐containing homology directed repair (FP‐HDR) template results in gene‐specific patterns of fluorescence consistent with a targeted genomic insertion. Using the Tyrosinase locus to optimize reagents, we first characterize a new Pol III promoter for expressing gRNAs from the Ciona savignyi H1 gene, and then adapt technology that flanks gRNAs by ribozymes allowing cell‐specific expression from Pol II promoters. Next, we examine homology arm‐length efficiencies of FP‐HDR templates. Reagents were then developed for targeting Brachyury and Pou4 that resulted in expected patterns of fluorescence, and sequenced PCR amplicons derived from single embryos validated predicted genomic insertions. Finally, using two differentially colored FP‐HDR templates, we show that biallelic FP‐HDR template insertion can be detected in live embryos of the F0 generation.
Electrolytic Cell Design to Simulate the Electrochemical Skin Response
Authors: Lair Virginie , Calmet Amandine , Albin Valérie , Griveau Sophie , Cassir Michel
Published: October 2018

Small fiber peripheral neuropathy is an early complication of diabetes. Electric skin response to some stimulus, as electrochemical skin conductance ECS, is a promising route in the early follow‐up of such diseases. It is related to sweat gland innervations and their permeability to chlorides and protons; it is non‐invasive, quantitative and reproducible. In routine clinical use, it could allow to better adapt the treatments and improve the adhesion for preventing pathological progress, thus reducing colossal healthcare costs. To optimize the measurements and understand the electrochemical behavior of electrodes, an original electrolytic cell was designed in lab scale. Thereby, an electrolyte is chosen to mimic sweat composition. For achieving currents range of ESC in vivo measurements, the original idea was to play on electrolyte viscosity by adding sucrose. In this paper, the novel electrolytic lab cell is presented with its limiting kinetics processes. A model of chloride migration to the anode and global electric model dedicated to the cell are proposed. Cell parameters are thoroughly studied, e. g. the resistance, which is equivalent to the inverse of ESC, by exploiting the models and through in vitro experiments, with protocols focusing on reproducibility. This original approach establishes, inter alia, an important result: the resistance is accurately retrieved using linear voltammetry, whereas single voltage measurement fails notably and is, therefore, unsatisfactory.
Optimization of washing and cooking processes of rice for Ochratoxin A decrement by RSM
Authors: Mansouri‐Nasrabadi Rezvan , Milani Jafar Mohammadzadeh , Nazari Saman Seyed Jafar
Published: October 2018

In this research, effects of washing and cooking processes on the decrease in ochratoxin A (OTA) residue in rice were investigated. Rice samples were washed one, two, and three times in the washing stage. Results showed that the washing stage was effective on OTA residue as 42.68% of OTA was removed. In the cooking stage, the effects of boiling time, salt content, and water‐to‐rice ratio on OTA residue were studied employing response surface methodology (RSM). The results showed that time and salt content, interaction between time and salt content, and interaction between salt content and water‐to‐rice ratio were effective on the amount of OTA residue. According to the results, the optimum levels for boiling time, salt content, and water‐to‐rice ratio were 9.6 min, 3.5% salt, and 4:1, respectively. At these conditions, 76% of the OTA in rice was reduced.
Microglia mediate non‐cell‐autonomous cell death of retinal ganglion cells
Authors: Takeda Akiko , Shinozaki Youichi , Kashiwagi Kenji , Ohno Nobuhiko , Eto Kei , Wake Hiroaki , Nabekura Junichi , Koizumi Schuichi
Published: October 2018

Excitotoxicity is well known in the neuronal death in the brain and is also linked to neuronal damages in the retina. Recent accumulating evidence show that microglia greatly affect excitotoxicity in the brain, but their roles in retina have received only limited attention. Here, we report that retinal excitotoxicity is mediated by microglia. To this end, we employed three discrete methods, that is, pharmacological inhibition of microglia by minocycline, pharmacological ablation by an antagonist for colony stimulating factor 1 receptor (PLX5622), and genetic ablation of microglia using Iba1‐tTA::DTAtetO/tetO mice. Intravitreal injection of NMDA increased the number of apoptotic retinal ganglion cells (RGCs) followed by reduction in the number of RGCs. Although microglia did not respond to NMDA directly, they became reactive earlier than RGC damages. Inhibition or ablation of microglia protected RGCs against NMDA. We found up‐regulation of proinflammatory cytokine genes including Il1b, Il6 and Tnfa, among which Tnfa was selectively blocked by minocycline. PLX5622 also suppressed Tnfa expression. Tumor necrosis factor α (TNFα) signals were restricted in microglia at very early followed by spreading into other cell types. TNFα up‐regulation in microglia and other cells were significantly attenuated by minocycline and PLX5622, suggesting a central role of microglia for TNFα induction. Both inhibition of TNFα and knockdown of TNF receptor type 1 by siRNA protected RGCs against NMDA. Taken together, our data demonstrate that a phenotypic change of microglia into a neurotoxic one is a critical event for the NMDA‐induced degeneration of RGCs, suggesting an importance of non‐cell‐autonomous mechanism in the retinal neuronal excitotoxicity.