bluuebunny/crossref_metadata_2025 huggingface dataset:
Direct numerical simulation of surfactant solution flow in the wide‐rib rectangular grooved channel
Authors: Huang Chonghai , Liu Dongjie , Wei Jinjia , Yu Bo , Zhang Hongna , Cheng Jianping
Published: March 2018

The turbulent flow of surfactant solution in the wide‐rib rectangular grooved channels was studied by direct numerical simulation. Moreover, the variations of near‐wall streamwise vortices with time were discussed and the distributions of streamwise vortex radius, swirling strength and density were quantitatively investigated. It was found that the influence of microgrooves on the fluid mainly occurred within the buffer layer and microgrooves could induce numerous streamwise vortices with small size and swirling strength within the grooved valleys. The drag‐reducing enhancement mechanism of microgroove in the surfactant solution could be mainly considered as the competing results between the “restriction effect” and “tip effect” of microgroove, and the essential factor should be the numerous secondary streamwise vortices with small size and swirling strength within the grooved valleys. Furthermore, a predicted method for the optimal drag‐reducing size of microgroove was proposed, and the prediction values agreed well with the numerical results. © 2018 American Institute of Chemical Engineers AIChE J, 64: 2898–2912, 2018
Effect of Pickering stabilization on radical entry in emulsion polymerization
Authors: Brunier Barthélémy , Sheibat‐Othman Nida , Chevalier Yves , Bourgeat‐Lami Élodie
Published: March 2018

The production of latexes stabilized by solid particles, so‐called Pickering stabilizers, has attracted considerable attention due to its benefits, including the enhanced mechanical properties of the polymer films. Clays for instance were found to enhance particle stabilization in emulsion polymerization, in a comparable way to conventional surfactants. Their concentration thus determines the polymer particles size and number, and consequently the reaction rate. In this work, we investigate the impact of the presence of such rigid and big platelets at the polymer particle's surface on radical exchange between the aqueous phase and the polymer particles. It was found for the system underhand that the average number of radicals per particle (
) was independent of the stabilizer layer. Therefore, a radical capture model independent of the clay concentration could be used to simulate reactions involving different clay concentrations and predict the evolution of the monomer conversion, particle size, and
. © 2018 American Institute of Chemical Engineers AIChE J, 64: 2612–2624, 2018
Novel aeration of a large‐scale flat sheet MBR: A CFD and experimental investigation
Authors: Wang Bing , Zhang Kaisong , Field Robert W.
Published: March 2018

Having previously established that the hydrodynamic effect introduced by slug bubbles is more effective and economic in fouling amelioration in flat sheet MBRs (FSMBR) than conventional bubbling, this work is focused on its implementation in a commercial FSMBR. The overall objective is to enhance the hydrodynamic effect on fouling control through the use of two‐stage large‐sized bubble development (coalescence and split). Computational Fluid Dynamics (CFD) was used to predict hydrodynamic features and substantial agreement was observed with experimental measurements. The critical height for bubble development space was determined to be circa 250 mm. Slug bubbles could be introduced into 14 channels, resulting in six‐fold stronger shear stress than that from single bubbles. Energy demand could be reduced by circa 50% compared with industry average usage and the shear stresses developed would, for most applications, be sufficient to ameliorate fouling. Furthermore, the specific air demand per permeate would be halved. © 2018 American Institute of Chemical Engineers AIChE J, 64: 2721–2736, 2018
Getting the best outcomes from epilepsy surgery
Authors: Vakharia Vejay N. , Duncan John S. , Witt Juri‐Alexander , Elger Christian E. , Staba Richard , Engel Jerome
Published: March 2018

Neurosurgery is an underutilized treatment that can potentially cure drug‐refractory epilepsy. Careful, multidisciplinary presurgical evaluation is vital for selecting patients and to ensure optimal outcomes. Advances in neuroimaging have improved diagnosis and guided surgical intervention. Invasive electroencephalography allows the evaluation of complex patients who would otherwise not be candidates for neurosurgery. We review the current state of the assessment and selection of patients and consider established and novel surgical procedures and associated outcome data. We aim to dispel myths that may inhibit physicians from referring and patients from considering neurosurgical intervention for drug‐refractory focal epilepsies. Ann Neurol 2018;83:676–690
De novo hotspot variants in CYFIP2 cause early‐onset epileptic encephalopathy
Authors: Nakashima Mitsuko , Kato Mitsuhiro , Aoto Kazushi , Shiina Masaaki , Belal Hazrat , Mukaida Souichi , Kumada Satoko , Sato Atsushi , Zerem Ayelet , Lerman‐Sagie Tally , Lev Dorit , Leong Huey Yin , Tsurusaki Yoshinori , Mizuguchi Takeshi , Miyatake Satoko , Miyake Noriko , Ogata Kazuhiro , Saitsu Hirotomo , Matsumoto Naomichi
Published: March 2018

Objective

The cytoplasmic fragile X mental retardation 1 interacting proteins 2 (CYFIP2) is a component of the WASP‐family verprolin‐homologous protein (WAVE) regulatory complex, which is involved in actin dynamics. An obvious association of CYFIP2 variants with human neurological disorders has never been reported. Here, we identified de novo hotspot CYFIP2 variants in neurodevelopmental disorders and explore the possible involvement of the CYFIP2 mutants in the WAVE signaling pathway.

Methods

We performed trio‐based whole‐exome sequencing (WES) in 210 families and case‐only WES in 489 individuals with epileptic encephalopathies. The functional effect of CYFIP2 variants on WAVE signaling was evaluated by computational structural analysis and in vitro transfection experiments.

Results

We identified three de novo CYFIP2 variants at the Arg87 residue in 4 unrelated individuals with early‐onset epileptic encephalopathy. Structural analysis indicated that the Arg87 residue is buried at an interface between CYFIP2 and WAVE1, and the Arg87 variant may disrupt hydrogen bonding, leading to structural instability and aberrant activation of the WAVE regulatory complex. All mutant CYFIP2 showed comparatively weaker interactions to the VCA domain than wild‐type CYFIP2. Immunofluorescence revealed that ectopic speckled accumulation of actin and CYFIP2 was significantly increased in cells transfected with mutant CYFIP2.

Interpretation

Our findings suggest that de novo Arg87 variants in CYFIP2 have gain‐of‐function effects on the WAVE signaling pathway and are associated with severe neurological disorders. Ann Neurol 2018;83:794–806
Bilateral taste disorders in patients with Ramsay Hunt syndrome and Bell palsy
Authors: Pavlidis Pavlos , Cámara Rafael J. A. , Kekes Georgios , Gouveris Haralampos
Published: March 2018

Objective

Ramsay Hunt syndrome (RHS) and Bell palsy (BP) are typically known as facial nerve motor syndromes and are primarily unilateral. The aim of this study was to challenge this assertion, because both conditions are also known to be associated with viruses that typically affect several nerves.

Methods

Ten participants with RHS, 12 with BP, all clinically unilateral, and 12 healthy controls were prospectively enrolled. Electrogustometric thresholds were measured bilaterally in the areas of the chorda tympani, the glossopharyngeal, and the major petrosal nerve. Also bilaterally, the taste function was tested using chemogustometry with different tastant concentrations. Again bilaterally, the morphology of the mucosa and the vessels of the anterior fungiform papillae were examined by contact endoscopy. Statistically, RHS and BP participants were compared with the healthy controls, and the paretic sides of RHS and BP were compared pairwise with their mobile sides.

Results

Electrogustometrically, perception was reduced bilaterally in RHS (10–19dB, p < 0.001) and BP (3–5dB, p = 0.011–0.030) in all 3 innervation areas. Chemogustometrically, it was also reduced bilaterally in RHS (20–70%) and BP (8–50%). Papillary atrophies were increased 100% in RHS (p = 0.001) and BP (p < 0.001). They were more increased on the paretic side in RHS (30%, p = 0.078) and BP (83%, p < 0.001).

Interpretation

In these 2 clinically unilateral conditions, the gustatory perception and morphology are bilaterally affected, more in RHS and more on the paretic side. BP, known as an isolated motor condition, appears to be a cranial polyneuritis. A bilateral examination and therapeutic gustatory monitoring might follow these observations in evidence‐based practice. Ann Neurol 2018;83:807–815
Das Rezept für die Langlebigkeit von Unternehmen – aus Sicht des “Innovationsmanagements”
Authors: Griesar Klaus , Bessant John , Bernschneider‐Reif Sabine
Published: March 2018

Ein Wort der Warnung gleich zu Beginn: Dieses Abstract stellt keine Zusammenfassung bahnbrechender Erkenntnisse oder Schlussfolgerungen dar. Ganz im Gegenteil. Es möchte lediglich die Neugier dafür wecken, was unternehmerisches Überleben eigentlich bedeutet. Gibt es ein Geheimrezept, das Unternehmen befolgen könnten, um zu überleben? Die Antworten kommen weder aus den bescheidenen und traditionellen Studierstuben von Philosophen noch aus der Durchsicht moderner, faktenbasierter Studien aus den Büroräumen (und den hochbezahlten Meinungen) von Unternehmensberatern. Den archimedischen Punkt, von dem aus wir objektiv der Frage nach dem unternehmerischen Überleben nachgehen könnten, gibt es schlichtweg nicht. Aber wir können 7 Analogien (oder Metaphern) als intellektuelle Sprungbretter bemühen, welche Raum für neue Sichtweisen schaffen könnten. Innovation spielt für das unternehmerische Überleben ganz offensichtlich eine wichtige Rolle; dennoch ist diese naturgemäß eine recht chaotische Angelegenheit. Um dem Chaos Form zu verleihen, stellen wir in diesem Abstract einige Schlüsselbegriffe in alphabetischer Reihenfolge vor. Wir beginnen mit A, das für Ambidextrie, Architektur und Ameisenkolonien steht. Dann folgt B für Begriffe wie (mentale) Boxen und Biodiversität. Natürlich spielt auch C eine große Rolle – wir haben bereits verraten, dass Neugier (Curiosity) Teil der Antwort ist. Weiter geht es mit D (Darwin, DNS und Diskontinuität) und E (Erdbeben und Evolution). Eine weitere Warnung zum Abschluss: Dieser Beitrag hat nicht die Absicht, die reichhaltige und komplexe Geschichte des Unternehmens Merck KGaA, Darmstadt, Germany, zu beschreiben. Zum Abschluss dieses Essays folgt lediglich – in Würdigung dieser Geschichte – ein Epilog, in dem einer der Protagonisten der 350 Jahre währenden Reise des Unternehmens – Emanuel Merck – auf die Bühne treten und “die Geschichte für sich selbst sprechen lassen soll.” Immer noch neugierig?
Chelating Rotaxane Ligands as Fluorescent Sensors for Metal Ions
Authors: Denis Mathieu , Pancholi Jessica , Jobe Kajally , Watkinson Michael , Goldup Stephen M.
Published: March 2018

Although metal‐ion‐binding interlocked molecules have been under intense investigation for over three decades, their application as scaffolds for the development of sensors for metal ions remains underexplored. In this work, we demonstrate the potential of simple rotaxanes as metal‐ion‐responsive ligand scaffolds through the development of a proof‐of‐concept selective sensor for Zn2+.
Temperature‐Dependent Atomic Models of Detergent Micelles Refined against Small‐Angle X‐Ray Scattering Data
Authors: Ivanović Miloš T. , Bruetzel Linda K. , Lipfert Jan , Hub Jochen S.
Published: March 2018

Surfactants have found a wide range of industrial and scientific applications. In particular, detergent micelles are used as lipid membrane mimics to solubilize membrane proteins for functional and structural characterization. However, an atomic‐level understanding of surfactants remains limited because many experiments provide only low‐resolution structural information on surfactant aggregates. In this work, small‐angle X‐ray scattering is combined with molecular dynamics simulations to derive fully atomic models of two maltoside micelles at temperatures between 10 °C and 70 °C. The micelles take the shape of general tri‐axial ellipsoids and decrease in size and aggregation number with increasing temperature. Density profiles of hydrophobic groups and water along the three principal axes reveal that the minor micelle axis closely mimics lipid membranes. The results suggest that coupling atomic simulations with low‐resolution data allows the structural characterization of surfactant aggregates.
Transient and Persistent Room‐Temperature Mechanoluminescence from a White‐Light‐Emitting AIEgen with Tricolor Emission Switching Triggered by Light
Authors: Li Jian‐An , Zhou Jinghong , Mao Zhu , Xie Zongliang , Yang Zhan , Xu Bingjia , Liu Cong , Chen Xin , Ren Dingyang , Pan Hui , Shi Guang , Zhang Yi , Chi Zhenguo
Published: March 2018

Persistent luminescence from purely organic materials is basically triggered by light and electricity, which largely confines its practical applications. A purely organic AIEgen exhibits not only persistent photoluminescence, but also transient and persistent room‐temperature mechanoluminescence. By simply turning on and off a UV lamp, tricolor emission switching between blue, white, and yellow was achieved. The data from single‐crystal structure analysis and theoretical calculation suggest that mechanism of the observed persistent mechanoluminescence (pML) is correlated with the strong spin–orbit coupling of the bromine atom, as well as the formation of H‐aggregates and restriction of intramolecular motions in noncentrosymmetric crystal structure. These results outline a fundamental principle for the development of new pML materials, providing an important step forward in expanding the application scope of persistent luminescence.
A Cell‐Targeted Non‐Cytotoxic Fluorescent Nanogel Thermometer Created with an Imidazolium‐Containing Cationic Radical Initiator
Authors: Uchiyama Seiichi , Tsuji Toshikazu , Kawamoto Kyoko , Okano Kentaro , Fukatsu Eiko , Noro Takahiro , Ikado Kumiko , Yamada Sayuri , Shibata Yuka , Hayashi Teruyuki , Inada Noriko , Kato Masaru , Koizumi Hideki , Tokuyama Hidetoshi
Published: March 2018

A cationic fluorescent nanogel thermometer based on thermo‐responsive N‐isopropylacrylamide and environment‐sensitive benzothiadiazole was developed with a new azo compound bearing imidazolium rings as the first cationic radical initiator. This cationic fluorescent nanogel thermometer showed an excellent ability to enter live mammalian cells in a short incubation period (10 min), a high sensitivity to temperature variations in live cells (temperature resolution of 0.02–0.84 °C in the range 20–40 °C), and remarkable non‐cytotoxicity, which permitted ordinary cell proliferation and even differentiation of primary cultured cells.
Dual Functionalization of α‐Monoboryl Carbanions through Deoxygenative Enolization with Carboxylic Acids
Authors: Sun Wei , Wang Lu , Xia Chungu , Liu Chao
Published: March 2018

A dual functionalization of 1,1‐diborylalkanes through deoxygenative enolization with carboxylic acids was developed. 1,1‐Diborylalkanes were activated by MeLi to generate α‐monoboryl carbanions. In situ IR spectroscopy indicated an interaction between carboxylic acid and 1,1‐diborylalkane before addition of the activation reagent. Release of the active α‐monoboryl carbanion from the masked form was necessary for its reaction with carboxylate to afford enolate species. Electrophilic trapping of enolate species with various electrophiles achieved dual functionalization of 1,1‐diborylalkanes to afford a variety of α‐mono, di‐, and tri‐substituted ketones.
Vis/NIR‐ und Raman‐Untersuchung der Wechselwirkung von Gastmolekülen mit Co‐MOF‐74
Authors: Strauss Ina , Mundstock Alexander , Hinrichs Dominik , Himstedt Rasmus , Knebel Alexander , Reinhardt Carsten , Dorfs Dirk , Caro Jürgen
Published: March 2018

Stäbchenförmige Co‐MOF‐74‐Kristalle wurden über ein Solvothermalverfahren synthetisiert, um die Wechselwirkungen mit Gasen zu untersuchen. Bei der Bestrahlung von Co‐MOF‐74 mit polarisiertem Licht weisen die Kristalle ein stark anisotropes Absorptionsverhalten auf. Des Weiteren wurden die Wechselwirkungen von Co‐MOF‐74 mit den Gastmolekülen CO2, Propan, Propen, Ar, MeOH und H2O mithilfe verschiedener spektroskopischer Methoden untersucht. Wechselwirkungs‐abhängige Peak‐Verschiebungen der Co‐MOF‐74‐Banden im Vis/NIR‐Bereich wurden beobachtet. Sowohl im sichtbaren als auch im Nah‐IR‐Bereich wird die maximale Absorption selektiv, entsprechend der Intensität der CoII‐Gastmolekül‐Wechselwirkung, verschoben. Aufgrund ihrer unterschiedlichen Wechselwirkungen mit Co‐MOF‐74 war es möglich, Propan und Propen bei Raumtemperatur zu unterscheiden. Raman‐Spektroskopisch konnte eine Änderung des Schwingungsverhaltens von Co‐MOF‐74 bei Gasadsorption nachgewiesen werden. Außerdem wurde eine charakteristische Verschiebung der Peak‐Maxima durch die Adsorption von H2O gezeigt.
Synthesis of (bis)Silicon Complexes of [38], [37], and [36]Octaphyrins: Aromaticity Switch and Stable Radical Cation
Authors: Ishida Shin‐ichiro , Kim Jinseok , Shimizu Daiki , Kim Dongho , Osuka Atsuhiro
Published: March 2018

Silicon complexation of a [38]octaphyrin (1) was accomplished by reaction with an excess amount of MeSiCl3 in the presence of N,N‐diisopropylethylamine, thus giving an aromatic [38]octaphyrin bis(silicon) complex 2. This complex was interconvertible with an antiaromatic [36]octaphyrin congener (3) by oxidation with MnO2 and reduction with NaBH4. Curiously, mild oxidation of 2 with ferrocenium hexafluorophosphate afforded a [37]octaphyrin bis(silicon) complex 4 as an stable radical cation that can be stored under ambient conditions in the solid state. Owing to the two NNNCC‐five‐coordinated Si atoms bearing trigonal bipyramidal geometry, these octaphyrin bis(silicon) complexes take on similar and rigid figure‐of‐eight structures with different consecutive numbers of conjugated π‐electrons (38, 37, and 36), and are all stable.
Asymmetric [3+2] Photocycloadditions of Cyclopropanes with Alkenes or Alkynes through Visible‐Light Excitation of Catalyst‐Bound Substrates
Authors: Huang Xiaoqiang , Lin Jiahui , Shen Tianqi , Harms Klaus , Marchini Marianna , Ceroni Paola , Meggers Eric
Published: March 2018

The herein reported visible‐light‐activated catalytic asymmetric [3+2] photocycloadditions between cyclopropanes and alkenes or alkynes provide access to chiral cyclopentanes and cyclopentenes, respectively, in 63–99 % yields and with excellent enantioselectivities of up to >99 % ee. The reactions are catalyzed by a single bis‐cyclometalated chiral‐at‐metal rhodium complex (2–8 mol %) which after coordination to the cyclopropane generates the visible‐light‐absorbing complex, lowers the reduction potential of the cyclopropane, and provides the asymmetric induction and overall stereocontrol. Enabled by a mild single‐electron‐transfer reduction of directly photoexcited catalyst/substrate complexes, the presented transformations expand the scope of catalytic asymmetric photocycloadditions to simple mono‐acceptor‐substituted cyclopropanes affording previously inaccessible chiral cyclopentane and cyclopentene derivatives.
Metal–Organic Framework (MOF) Nanorods, Nanotubes, and Nanowires
Authors: Arbulu Roberto C. , Jiang Ying‐Bing , Peterson Eric J. , Qin Yang
Published: March 2018

New mechanisms for the controlled growth of one‐dimensional (1D) metal–organic framework (MOF) nano‐ and superstructures under size‐confinement and surface‐directing effects have been discovered. Through applying interfacial synthesis templated by track‐etched polycarbonate (PCTE) membranes, congruent polycrystalline zeolitic imidazolate framework‐8 (ZIF‐8) solid nanorods and hollow nanotubes were found to form within 100 nm membrane pores, while single crystalline ZIF‐8 nanowires grew inside 30 nm pores, all of which possess large aspect ratios up to 60 and show preferential crystal orientation with the {100} planes aligned parallel to the long axis of the pore. Our findings provide a generalizable method for controlling size, morphology, and lattice orientation of MOF nanomaterials.
The Recipe for Corporate Longevity: From the Perspective of “Managing Innovation”
Authors: Griesar Klaus , Bessant John , Bernschneider‐Reif Sabine
Published: March 2018

The elephant is in the room—a metaphorical idiom for an obvious problem or risk that nobody wants to discuss. This abstract is not intended to be a summary, to reveal major findings, or unveil conclusions. On the contrary, it is aimed to provoke curiosity as to the question of corporate survival. Is there any recipe to be followed for companies to achieve this? The answer comes neither from the modest and traditional study rooms of philosophers nor the recent fact‐based studies from the offices (and well‐paid opinions) of business consultants. The Archimedean point from which we can objectively explore the subject of corporate survival does not exist. Instead we offer seven analogies (or metaphors) as intellectual platforms where new perspectives can be considered. Innovation obviously plays a major role in corporate survival—yet, by its nature all innovation is messy. In order to reduce entropy, this abstract reveals some keywords in alphabetical order starting from A, such as ambidexterity, architecture, and ant colonies, moving on to B, such as, (mental) boxes and biodiversity. For obvious reasons, C plays a major role—sufficiently that we have already revealed curiosity as one part of the answer—treading over to D (Darwin, DNA, and discontinuity), followed by E (earthquakes and evolution). As a final warning signal in order to manage the expectation: It is not the intention of this article to give a comprehensive overview about the rich and complex history of Merck KGaA, Darmstadt, Germany. Indeed, only the final chapter will provide reference to this company: Before the curtains will finally close, an epilogue will start in which one of the protagonists of the 350‐year journey of the company—Emanuel Merck—will appear on the stage and “let history speak for itself”. Still curious?
Catalytic C−H Trifluoromethoxylation of Arenes and Heteroarenes
Authors: Zheng Weijia , Morales‐Rivera Cristian A. , Lee Johnny W. , Liu Peng , Ngai Ming‐Yu
Published: March 2018

The intermolecular C−H trifluoromethoxylation of arenes remains a long‐standing and unsolved problem in organic synthesis. Herein, we report the first catalytic protocol employing a novel trifluoromethoxylating reagent and redox‐active catalysts for the direct (hetero)aryl C−H trifluoromethoxylation. Our approach is operationally simple, proceeds at room temperature, uses easy‐to‐handle reagents, requires only 0.03 mol % of redox‐active catalysts, does not need specialized reaction apparatus, and tolerates a wide variety of functional groups and complex structures such as sugars and natural product derivatives. Importantly, both ground‐state and photoexcited redox‐active catalysts are effective. Detailed computational and experimental studies suggest a unique reaction pathway where photoexcitation of the trifluoromethoxylating reagent releases the OCF3 radical that is trapped by (hetero)arenes. The resulting cyclohexadienyl radicals are oxidized by redox‐active catalysts and deprotonated to form the desired products of trifluoromethoxylation.
Enzyme‐MOF Nanoreactor Activates Nontoxic Paracetamol for Cancer Therapy
Authors: Lian Xizhen , Huang Yanyan , Zhu Yuanyuan , Fang Yu , Zhao Rui , Joseph Elizabeth , Li Jialuo , Pellois Jean‐Philippe , Zhou Hong‐Cai
Published: March 2018

Prodrug activation, by exogenously administered enzymes, for cancer therapy is an approach to achieve better selectivity and less systemic toxicity than conventional chemotherapy. However, the short half‐lives of the activating enzymes in the bloodstream has limited its success. Demonstrated here is that a tyrosinase‐MOF nanoreactor activates the prodrug paracetamol in cancer cells in a long‐lasting manner. By generating reactive oxygen species (ROS) and depleting glutathione (GSH), the product of the enzymatic conversion of paracetamol is toxic to drug‐resistant cancer cells. Tyrosinase‐MOF nanoreactors cause significant cell death in the presence of paracetamol for up to three days after being internalized by cells, while free enzymes totally lose activity in a few hours. Thus, enzyme‐MOF nanocomposites are envisioned to be novel persistent platforms for various biomedical applications.
An Extra‐Large‐Pore Zeolite with 24×8×8‐Ring Channels Using a Structure‐Directing Agent Derived from Traditional Chinese Medicine
Authors: Zhang Chuanqi , Kapaca Elina , Li Jiyang , Liu Yunling , Yi Xianfeng , Zheng Anmin , Zou Xiaodong , Jiang Jiuxing , Yu Jihong
Published: March 2018

Extra‐large‐pore zeolites have attracted much interest because of their important applications for processing larger molecules. Although great progress has been made in academic science and industry, it is challenging to synthesize these materials. A new extra‐large‐pore zeolite SYSU‐3 (Sun Yat‐sen University no. 3) has been synthesized by using a novel sophoridine derivative as an organic structure‐directing agent (OSDA). The framework structure was solved and refined using continuous rotation electron diffraction (cRED) data from nanosized crystals. SYSU‐3 exhibits a new zeolite framework topology, which has the first 24×8×8‐ring extra‐large‐pore system and a framework density (FD) as low as 11.4 T/1000 Å3. The unique skeleton of the OSDA plays an essential role in the formation of the distinctive zeolite structure. This work provides a new perspective for developing new zeolitic materials by using alkaloids as cost‐effective OSDAs.
A High‐Energy‐Density Potassium Battery with a Polymer‐Gel Electrolyte and a Polyaniline Cathode
Authors: Gao Hongcai , Xue Leigang , Xin Sen , Goodenough John B.
Published: March 2018

A safe, rechargeable potassium battery of high energy density and excellent cycling stability has been developed. The anion component of the electrolyte salt is inserted into a polyaniline cathode upon charging and extracted from it during discharging while the K+ ion of the KPF6 salt is plated/stripped on the potassium‐metal anode. The use of a p‐type polymer cathode increases the cell voltage. By replacing the organic‐liquid electrolyte in a glass‐fiber separator with a polymer‐gel electrolyte of cross‐linked poly(methyl methacrylate), a dendrite‐free potassium anode can be plated/stripped, and the electrode/electrolyte interface is stabilized. The potassium anode wets the polymer, and the cross‐linked architecture provides small pores of adjustable sizes to stabilize a solid‐electrolyte interphase formed at the anode/electrolyte interface. This alternative electrolyte/cathode strategy offers a promising new approach to low‐cost potassium batteries for the stationary storage of electric power.
Synthesis of CuS nanoparticles loaded on activated carbon composite for ultrasound‐assisted adsorption removal of dye pollutants: Process optimization using CCD‐RSM, equilibrium and kinetic studies
Authors: Dastkhoon Mehdi , Ghaedi Mehrorang , Asfaram Arash , Javadian Hamedreza
Published: March 2018

In this study, the CuS nanoparticles loaded on activated carbon (CuS‐NPs‐AC) composite was synthesized and then, characterized by XRD and FE‐SEM analyses. The prepared composite was used as a potential adsorbent for the simultaneous ultrasound‐assisted removal of Indigo Carmine (IC) and Safranin‐O (SO). The CuS‐NPs‐AC dose (0.01‐0.03 g), sonication time (1‐5 min), initial SO concentration (5‐15 mg L‐1) and initial IC concentration (5‐15 mg L‐1) as expectable effective parameters were studied by central composite design (CCD) under response surface methodology (RSM) to obtain an useful knowledge about the effect of simultaneous interaction between IC and SO on their removal percentage. The optimum SO and IC removal percentages were determined to be 98.24 and 97.15% at pH = 6, 0.03 g of the CuS‐NPs‐AC, 3 min sonication time, 12 and 10 mg L‐1 of IC and SO. The values of coefficient of determination (R2) for SO and IC were 0.9608 and 0.9796, respectively, indicating the favorable fitness of the experimental data to the second order polynomial regression model. The isotherm data were well correlated with Freundlich model. The maximum monolayer adsorption capacities of 87.5 and 69.90 mg g‐1 at room temperature for IC and SO in the investigated binary system expressed the high efficiency of the novel adsorbent for water cleanup within a short time. The investigation of correlation between time and rate of adsorption revealed that IC and SO adsorption onto the CuS‐NPs‐AC followed pseudo‐second‐order and intra‐particle diffusion simultaneously.
Investigation of Lipid Oxidation in the Raw Materials of a Topical Skin Formulation: A Topical Skin Formulation Containing a High Lipid Content
Authors: Thomsen Birgitte R. , Taylor Richard , Madsen Robert , Hyldig Grethe , Blenkiron Peter , Jacobsen Charlotte
Published: March 2018

Several studies have demonstrated that lipid oxidation often occurs in topical skin formulations which can affect product odor (both positively and negatively). Furthermore, odor detection threshold values and odor descriptors of identified volatile oxidation products in cleansing and skin cream formulation prototypes were recently determined by a trained sensory panel at the Technical University of Denmark in the Division of Food Technology. In this study, we investigated lipid oxidation in a prototype skin cream formulation as well as in selected cosmetic skin care raw materials. Lipid oxidation was measured regularly over a six‐month period for the product and over a three‐month period for the raw materials by headspace gas chromatography–mass spectrometry. The volatile compound present in the highest initial concentration, and which increased most during storage, was 3‐methyl‐1‐butanol (medicinal, chemical/cleaning agent odor), and its formation was linked to the raw material isoamyl p‐methoxycinnamate. The odor character of the product after storage was assessed and informally deemed acceptable for consumer usage and typical of topical dermocosmetic products. A potential pathway for its formation was also identified. In addition, the concentrations of several well‐known lipid oxidation products increased during storage and were suggested to originate primarily from rice bran wax, which oxidized more readily than other raw materials due to its unsaturated nature.
Friction‐induced electroactive β polymorph of poly(vinylidene fluoride)
Authors: Xu Fanglin , Xin Yuanshi , Li Tongsheng
Published: March 2018

Poly(vinylidene fluoride) (PVDF) has been widely used in electric devices due to electroactive β polymorph. In this article, we probe the formation of β phase under friction by spectroscopy and thermal analysis. During continuous friction, entire sliding of PVDF is identified with two regimes, i.e., running‐in and steady‐state. At initial running‐in period, friction surfaces are dominated by plastic strain, which leads to striking formation of β phase from α polymorph (α→β). Subsequently, melting‐flow domains almost cover friction surfaces at steady‐state. Thus, formation of β crystal is correspondingly induced by shear crystallization. Nevertheless, β‐crystal content at steady‐state is lower than that at running‐in. With sliding proceeding, moreover, β‐crystal content exhibits a gradually decreasing tendency, attributed to rising surface temperature. Besides, the friction‐induced β phase is further confirmed by evaluation of wear debris. Overall, friction plays a crucial role as to the formation of β phase. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46395.
Optimization of sound absorption property for polyurethane foam using adaptive simulated annealing algorithm
Authors: Zhu Tongtong , Chen Shuming , Zhu Wenbo , Wang Yebin
Published: March 2018

Polyurethane foam is one of the sound absorbing materials because of its advantage in lightweight, sound absorption and low cost. Therefore, it is important to optimize the formulation for better sound absorption performance. In this study, experimental optimization was carried out with a response surface methodology to investigate the effects of different variables including catalyst triethanolamine, catalyst A33, and additive polyethylene fiber. The mathematical model was developed for correlating experimental data. The model parameters were optimized by adaptive simulated annealing algorithm. The maximum acoustic property of the foams was found to be 0.68 by adding 3.2 g triethanolamine, 1.0 g A33, and 0.1 g polyethylene fiber. Then, the polyurethane foam was synthesized according to the optimization results. The sound absorption coefficient of it is within the allowable error of the optimization result. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46426.
Preparation and properties of heat and ultraviolet‐induced bonding and debonding epoxy/epoxy acrylate adhesives
Authors: Zhang Wenqing , Shentu Baoqing , Weng Zhixue
Published: March 2018

Heat and ultraviolet (UV)‐induced bonding and debonding (BDB) adhesives were designed and prepared through blending an epoxy resin, diglycidyl ether of bisphenol A (DGEBA) with an epoxy acrylate resin, bisphenol‐A epoxy acrylate resin (BEA). The variation of the chemical structure of DGEBA and BEA in the sequential heat‐ and UV‐curing processes was characterized by Fourier transform infrared spectroscopy (FTIR). The FTIR results indicate that DGEBA and BEA successfully took part in both the heat‐curing and UV‐curing processes. The effects of the mass ratio of BEA to DGEBA, amount of heat‐curing agent, type of diluents, and UV irradiation time on the BDB properties of BDB adhesive were systematically investigated. The results show that the bonding strength increases with the decrease of the mass ratio of BEA to DGEBA and with the increase of the amount of heat‐curing agent in a certain range. The debonding strength decreases with the increase of the mass ratio of BEA to DGEBA. The mass ratio of BEA to DGEBA was set at 10 to ensure the ratio of the bonding strength to debonding strength greater than 10 times. The debonding strength of BDB adhesives also depends on the UV irradiation time, decreasing with the increase of UV irradiation time in a certain range. Based on the FTIR results and the dependence of the bonding and deboning strengths on the reaction conditions, a possible BDB mechanism of BDB adhesive was proposed. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46435.
Development of a Molecular Signature to Monitor Pharmacodynamic Responses Mediated by In Vivo Administration of Glucocorticoids
Authors: Hu Yanhua , Carman Julie A. , Holloway Deborah , Kansal Selena , Fan Li , Goldstine Christine , Lee Deborah , Somerville John E. , Latek Robert , Townsend Robert , Johnsen Alyssa , Connolly Sean , Bandyopadhyay Somnath , Shadick Nancy , Weinblatt Michael E. , Furie Richard , Nadler Steven G.
Published: March 2018

Objective

To develop an objective, readily measurable pharmacodynamic biomarker of glucocorticoid (GC) activity.

Methods

Genes modulated by prednisolone were identified from in vitro studies using peripheral blood mononuclear cells from normal healthy volunteers. Using the criteria of a >2‐fold change relative to vehicle controls and an adjusted P value cutoff of less than 0.05, 64 up‐regulated and 18 down‐regulated genes were identified. A composite score of the up‐regulated genes was generated using a single‐sample gene set enrichment analysis algorithm.

Results

GC gene signature expression was significantly elevated in peripheral blood leukocytes from normal healthy volunteers following oral administration of prednisolone. Expression of the signature increased in a dose‐dependent manner, peaked at 4 hours postadministration, and returned to baseline levels by 48 hours after dosing. Lower expression was detected in normal healthy volunteers who received a partial GC receptor agonist, which is consistent with the reduced transactivation potential of this compound. In cohorts of patients with systemic lupus erythematosus and patients with rheumatoid arthritis, expression of the GC signature was negatively correlated with the percentages of peripheral blood lymphocytes and positively correlated with peripheral blood neutrophil counts, which is consistent with the known biology of the GC receptor. Expression of the signature largely agreed with reported GC use in these populations, although there was significant interpatient variability within the dose cohorts.

Conclusion

The GC gene signature identified in this study represents a pharmacodynamic marker of GC exposure.
Effect of cell phone radiofrequency radiation on body temperature in rodents: Pilot studies of the National Toxicology Program's reverberation chamber exposure system
Authors: Wyde Michael E. , Horn Thomas L. , Capstick Myles H. , Ladbury John M. , Koepke Galen , Wilson Perry F. , Kissling Grace E. , Stout Matthew D. , Kuster Niels , Melnick Ronald L. , Gauger James , Bucher John R. , McCormick David L.
Published: March 2018

Radiofrequency radiation (RFR) causes heating, which can lead to detrimental biological effects. To characterize the effects of RFR exposure on body temperature in relation to animal size and pregnancy, a series of short‐term toxicity studies was conducted in a unique RFR exposure system. Young and old B6C3F1 mice and young, old, and pregnant Harlan Sprague‐Dawley rats were exposed to Global System for Mobile Communication (GSM) or Code Division Multiple Access (CDMA) RFR (rats = 900 MHz, mice = 1,900 MHz) at specific absorption rates (SARs) up to 12 W/kg for approximately 9 h a day for 5 days. In general, fewer and less severe increases in body temperature were observed in young than in older rats. SAR‐dependent increases in subcutaneous body temperatures were observed at exposures ≥6 W/kg in both modulations. Exposures of  ≥10 W/kg GSM or CDMA RFR induced excessive increases in body temperature, leading to mortality. There was also a significant increase in the number of resorptions in pregnant rats at 12 W/kg GSM RFR. In mice, only sporadic increases in body temperature were observed regardless of sex or age when exposed to GSM or CDMA RFR up to 12 W/kg. These results identified SARs at which measurable RFR‐mediated thermal effects occur, and were used in the selection of exposures for subsequent toxicology and carcinogenicity studies. Bioelectromagnetics. 39:190–199, 2018. © 2018 The Authors. Bioelectromagnetics Published by Wiley Periodicals, Inc.
Inference from single occasion capture experiments using genetic markers
Authors: Hettiarachchige Chathurika K. H. , Huggins Richard M.
Published: March 2018

Accurate estimation of the size of animal populations is an important task in ecological science. Recent advances in the field of molecular genetics researches allow the use of genetic data to estimate the size of a population from a single capture occasion rather than repeated occasions as in the usual capture–recapture experiments. Estimating the population size using genetic data also has sometimes led to estimates that differ markedly from each other and also from classical capture–recapture estimates. Here, we develop a closed form estimator that uses genetic information to estimate the size of a population consisting of mothers and daughters, focusing on estimating the number of mothers, using data from a single sample. We demonstrate the estimator is consistent and propose a parametric bootstrap to estimate the standard errors. The estimator is evaluated in a simulation study and applied to real data. We also consider maximum likelihood in this setting and discover problems that preclude its general use.
Identification of causal effects with latent confounding and classical additive errors in treatment
Authors: Li Wei , Jiang Zhichao , Geng Zhi , Zhou Xiao‐Hua
Published: March 2018

In this paper, we discuss the identifiability and estimation of causal effects of a continuous treatment on a binary response when the treatment is measured with errors and there exists a latent categorical confounder associated with both treatment and response. Under some widely used parametric models, we first discuss the identifiability of the causal effects and then propose an approach for estimation and inference. Our approach can eliminate the biases induced by latent confounding and measurement errors by using only a single instrumental variable. Based on the identification results, we give guidelines for determining the existence of a latent categorical confounder and for selecting the number of levels of the latent confounder. We apply the proposed approach to a data set from the Framingham Heart Study to evaluate the effect of the systolic blood pressure on the coronary heart disease.
Exergy efficiency of light conversion into biomass in the macroalga Ulva sp. (Chlorophyta) cultivated under the pulsed light in a photobioreactor
Authors: Habiby Oz , Nahor Omri , Israel Alvaro , Liberzon Alexander , Golberg Alexander
Published: March 2018

Marine macroalgae are a potential feedstock for biorefineries that can reduce dependence on fossil fuels and contribute to bioeconomy. New knowledge and technologies for efficient conversion of solar energy into macroalgae biomass are needed to increase biomass yields and energy conversion efficiency. In this work, we show that the green macroalgae from Ulva sp. can grow under the pulsed light in a photobioreactor with higher exergy conversion efficiency in comparison to cultivation under constant light with the same intensity. In the tested frequencies, 1–40 Hz and duty cycles (DC) 1–100%, DC has a stronger impact on the growth rate than frequency. The efficiency of light transformation into biomass increased with decreasing DC. Pulsating with DC 20% led to 60% of the biomass chemical energy yield for the respective constant light (DC 100%). Models of Ulva sp. growth rate and exergy conversion efficiency as a function of pulsating light parameters were developed. These results open new directions to enhance solar to chemical energy conversion through macroalgae by controlling the light distribution in the macroalgal biomass.
Kinetic resolution of drug intermediates catalyzed by lipase B from Candida antarctica immobilized on immobead‐350
Authors: Pinheiro Maísa Pessoa , Rios Nathalia Saraiva , Fonseca Thiago de S. , Bezerra Francisco de Aquino , Rodríguez‐Castellón Enrique , Fernandez‐Lafuente Roberto , Carlos de Mattos Marcos , dos Santos José C. S. , Gonçalves Luciana R. B.
Published: March 2018

Novozyme 435, which is a commercial immobilized lipase B from Candida antarctica (CALB), has been proven to be inadequate for the kinetic resolution of rac‐indanyl acetate. As it has been previously described that different immobilization protocols may greatly alter lipase features, in this work, CALB was covalently immobilized on epoxy Immobead‐350 (IB‐350) and on glyoxyl‐agarose to ascertain if better kinetic resolution would result. Afterwards, all CALB biocatalysts were utilized in the hydrolytic resolution of rac‐indanyl acetate and rac‐(chloromethyl)‐2‐(o‐methoxyphenoxy) ethyl acetate. After optimization of the immobilization protocol on IB‐350, its loading capacity was 150 mg protein/g dried support. Furthermore, the CALB‐IB‐350 thermal and solvent stabilities were higher than that of the soluble enzyme (e.g., by a 14‐fold factor at pH 5–70°C and by a 11‐fold factor in dioxane 30%–65°C) and that of the glyoxyl‐agarose‐CALB (e.g., by a 12‐fold factor at pH 10–50°C and by a 21‐fold factor in dioxane 30%–65°C). The CALB‐IB‐350 preparation (with 98% immobilization yield and activity versus p‐nitrophenyl butyrate of 6.26 ± 0.2 U/g) was used in the hydrolysis of rac‐indanyl acetate using a biocatalyst/substrate ratio of 2:1 and a pH value of 7.0 at 30°C for 24 h. The conversion obtained was 48% and the enantiomeric excess of the product (e.e.p) was 97%. These values were much higher than the ones obtained with Novozyme 435, 13% and 26% of conversion and e.e.p, respectively. © 2018 American Institute of Chemical Engineers Biotechnol. Prog., 34:878–889, 2018
Oxaloacetate induces apoptosis in HepG2 cells via inhibition of glycolysis
Authors: Kuang Ye , Han Xiaoyun , Xu Mu , Yang Qing
Published: March 2018

Most cancer cells perform glycolysis despite having sufficient oxygen. The specific metabolic pathways of cancer cells have become the focus of cancer treatment. Recently, accumulating evidence indicates oxidative phosphorylation (OXPHOS) and glycolysis can be regulated with each other. Thus, we suggest that the glycolysis of cancer cells is inhibited by restoring or improving OXPHOS in cancer cells. In our study, we found that oxaloacetate (OA) induced apoptosis in HepG2 cells in vivo and in vitro. Meanwhile, we found that OA induced a decrease in the energy metabolism of HepG2 cells. Further results showed that the expression and activity of glycolytic enzymes were decreased with OA treatment. Conversely, the expression and activity of enzymes involved in the TCA cycle and OXPHOS were increased with OA treatment. The results indicate that OA can inhibit glycolysis through enhancement of OXPHOS. In addition, OA‐mediated suppression of HIF1α, p‐Akt, and c‐myc led to a decrease in glycolysis level. Therefore, OA has the potential to be a novel anticancer drug.
Genomic complexity in pediatric synovial sarcomas (Synobio study): the European pediatric soft tissue sarcoma group (EpSSG) experience
Authors: Orbach Daniel , Mosseri Véronique , Pissaloux Daniel , Pierron Gaelle , Brennan Bernadette , Ferrari Andrea , Chibon Frederic , Bisogno Gianni , De Salvo Gian Luca , Chakiba Camille , Corradini Nadège , Minard‐Colin Véronique , Kelsey Anna , Ranchère‐Vince Dominique
Published: March 2018

A genomic index (GI) tool using array comparative genomic hybridization (aCGH) on tumor cells has emerged as independent prognostic factor associated with the risk of metastatic relapse in synovial sarcoma (SS). The aim was to assess GI in pediatric patients with SS, to determine its value as a prognostic factor. All pediatric/adolescent/young adults’ (<25 years) with localized SS prospectively included in the European EpSSG‐NRSTS05 protocol with a contributive aCGH were selected. Definition of GI was A2/C, where A is the total number of alterations (segmental gains and losses) and C is the number of involved chromosomes on aCGH results. GI1 group corresponds to cases with no copy number alterations (flat profile, GI = 0) and GI2 group cases with at least one or more copy number alterations (rearranged profile; GI ≥ 1). Samples were available from 61 patients. The median age of the cohort was 13 years (range: 4–24). Overall, 55.7% were GI1 group, and 44.3% GI2. After a median follow‐up of 62 months (range: 0.1–112), 10 tumor events occurred and five patients died. Respectively, for GI1 versus GI2 groups, five‐year event‐free survival (EFS) was 93.8 ± 4.2% versus 64.9 ± 10.1% (P < 0.006) and five‐year Metastatic‐Free Survival (MFS) 93.8 ± 4.2% versus 72.9 ± 9.5% (P < 0.04). In multivariate analysis, GI status as adjusted for IRS group, patient age, site, and tumor size remain independent prognostic for EFS with a relative risk (RR) of 6.4 [1.3–31.9] (P < 0.01) and RR for MFS is 4.8 [0.9–25.7] (P < 0.05). Genomic complexity evaluated through GI may explain the metastatic behavior of pediatric SS.