bluuebunny/crossref_metadata_2025 huggingface dataset:
Physicochemical and Tribological Performance of Bi‐Component Supramolecular Gel Lubricants
Authors: Zhang Jiaying , Bai Yanyan , Yu Qiangliang , Ma Zhengfeng , Liu Qinze , Zhou Feng , Liu Weimin , Cai Meirong
Published: November 2018

Here, reported is a new, simple, and nonsynthetic way of in situ preparation of bi‐component supramolecular gel lubricants, which are formed by supramolecular self‐assembly of bis(2‐ethylhexyl) sulfosuccinate (AOT) and aromatic acid derivatives via the noncovalent interaction in the base lubricating oil. The formation mechanism of the gel lubricant was investigated by experimental and theoretical calculations. The results of 1H nuclear magnetic resonance, ultraviolet, and molecular dynamics simulations show that they formed a network structure through intermolecular hydrogen bonding and π–π stacking, thereby solidifying the base oil to form gel. The rheological and thermal analysis results show that these gels have shear thinning, creep recovery, and excellent thermal stability, and such characteristics make them potential as a lubricant for special mechanical working conditions. Indeed, tribological data also show that compared with commercial mineral oil 500SN, the gel lubricant has excellent lubricity, anti‐wear, and load‐carrying capacity, which is attributed to the introduction of the anionic surface active agent AOT molecules. Quartz crystal microbalance and X‐ray photoelectron spectrometer characterization proves that AOT forms an effective adsorption film and tribochemical reaction film on the contact surface in the process of friction.
Silicon Oxide‐Rich Diamond‐Like Carbon: A Conformal, Ultrasmooth Thin Film Material with High Thermo‐Oxidative Stability
Authors: Mangolini Filippo , McClimon J. Brandon , Segersten Justin , Hilbert James , Heaney Patrick , Lukes Jennifer R. , Carpick Robert W.
Published: November 2018

Silicon oxide‐containing diamond‐like carbon (a‐C:H:Si:O) films are a promising class of protective coatings for environmentally‐demanding applications owing to their lower residual stresses and superior thermal stability and oxidation resistance relative to undoped diamond‐like carbon. However, existing versions of a‐C:H:Si:O deposited by traditional methods such as plasma‐enhanced chemical vapor deposition (PECVD) undergo substantial degradation and oxidation at temperatures above 250 °C. This, together with the difficulty of PECVD in depositing conformal coatings on complex geometries such as high‐aspect‐ratio features, has limited the applicability of a‐C:H:Si:O. Here, the unique capabilities of plasma immersion ion implantation and deposition (PIIID) to grow silicon oxide‐rich diamond‐like carbon materials that are ultrasmooth, continuous, and conformal on high‐aspect‐ratio topographies are explored. The high concentration of silicon and oxygen in PIIID‐grown films (23 ± 5 at.% and 11 ± 4 at.%, respectively) is unrivalled for this class of materials, and drastically increases the resistance to oxidation at high temperatures, compared with PECVD‐grown films. The results open the path for using a‐C:H:Si:O in applications involving exposure of materials to extreme environments.
Screen‐Printed, Low‐Cost, and Patterned Flexible Heater Based on Ag Fractal Dendrites for Human Wearable Application
Authors: Zeng Pan , Tian Bin , Tian Qingyong , Yao Weijing , Li Mengxiao , Wang Huanjun , Feng Yu , Liu Li , Wu Wei
Published: November 2018

Achieving all‐printed, low‐cost, and large area electronic devices poses challenging requirements in employing printing technologies and conductive materials for flexible and wearable heaters. In this work, fully printed, scalable, and patterned flexible heaters based on Ag fractal dendrites (FDs) are fabricated through straightforward screen printing technology. The Ag FDs possess low sheet resistance with ≈0.83 Ω sq−1 when sintered at low temperature of 60 °C. The Ag FDs are directly printed on thin polyethylene terephthalate substrate to manufacture flexible heaters, exhibiting excellent heating performance with the saturation temperature up to ≈135 °C and rapid response time within 35 s under 4 V DC voltage. In addition, the Ag FDs heaters present lower power consumption (≈209.67 °C cm2 W−1), which is significantly better than traditional indium tin oxides (ITO) heaters (≈88 °C cm2 W−1). The sheet resistance of the devices remains stable after 2000 bending cycles with a radius of 10 mm, indicating that the outstanding mechanize stability of the heaters. Moreover, a large area (12 cm × 5 cm) heater with designable pattern is developed and attached to human body, indicating a bright future in next‐generation fully printed and wearable heating electronics application.
3D Printing of Flexible Liquid Sensor Based on Swelling Behavior of Hydrogel with Carbon Nanotubes
Authors: Li Xiangjia , Yang Yang , Xie Benshuai , Chu Ming , Sun Haofan , Hao Siyang , Chen Yiyu , Chen Yong
Published: November 2018

Flexible sensors with accurate detection of environmental stimuli (e.g., humidity and chemical substances) have drawn increasing research interests in biomedical engineering and environmental science. However, most work is focused on isotropic sensing of liquid occurrence due to the limitation of material development, sensor design, and fabrication capability. 3D printing is used to build multifunctional flexible liquid sensors with multimaterials enabling anisotropic detection of microliquid droplets, and described herein. Electrical conductive composite hydrogels capable of detecting chemical liquid are developed with poly (ethylene diacrylate) (PEGDA) and multiwalled carbon nanotube (MWCNT). Due to the absorption of the liquid droplet and related swelling behavior, the resistance of PEGDA/MWCNT composite hydrogel increases dramatically, while the resistance of pure PEGDA hydrogel decreases significantly. Based on the two composite hydrogels and the related 3D printing method, a mesh‐shaped liquid sensor that can effectively identify the position and volume of liquid leakage in a short time is developed. Furthermore, a three‐layered liquid sensor to enable bidirectional monitor and detection of the liquid leakage in two different sides is demonstrated. The 3D‐printed liquid sensor offers a distinctive perspective on the potential applications in various fields for detection of liquid leakage in accurate position and direction.
Synthesis of Benzimidazoles through Palladium‐Catalyzed Amination of 2‐Iodobenzimines with Diaziridinone
Authors: Ma Ding , Ji Xiaoming , Wu Zhuo , Cheng Cang , Zhou Bo , Zhang Yanghui
Published: November 2018

An efficient approach for the synthesis of benzimidazoles has been developed through the Pd‐catalyzed amination of 2‐iodobenzimines with diaziridinone. A wide range of 2‐(hetero)aryl benzimidazloes are synthesized in good to excellent yields. The reactions likely involve C,C‐palladacycles derived from 2‐iodobenzimines as the key intermediate, and the palladacycles reacted with diaziridinone to form benzimidazoles.

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Palladium Dimer Supported on Mo2CO2(MXene) for Direct Methane to Methanol Conversion
Authors: Sun Xiang , Gao Yijing , Zhao Chenxia , Deng Shengwei , Zhong Xing , Zhuang Guilin , Wei Zhongzhe , Wang Jian‐guo
Published: November 2018

The direct conversion of methane to methanol remains a great challenge due to the difficulty of methane activation. Based on density functional theory calculations, the adsorption property and structure stability of supported Pd monomer and dimer are compared, and then Mo2CO2(MXene)‐supported Pd dimer is chosen as a catalyst to study the process of methane partial oxidation to methanol via oxygen dissociation, proton transfer, and hydrogen spillover reaction pathways, respectively. Calculation results show that, unlike Pd monomer, Pd dimer can provide the multiple adsorption sites for activation and adsorption of methane and oxygen, which is beneficial for the direct process of methane to methanol. Notably, the proton transfer pathway of undissociated oxygen with rate‐determining step of C–H bond dissociation can easily occur on Pd2/Mo2CO2. And this process avoids the extra energy required for oxygen dissociation. Our calculations provide a new design strategy with supported Pd dimer catalyst for direct methane conversion into methanol.
A True Random Number Generator Using Threshold‐Switching‐Based Memristors in an Efficient Circuit Design
Authors: Woo Kyung Seok , Wang Yongmin , Kim Jihun , Kim Yumin , Kwon Young Jae , Yoon Jung Ho , Kim Woohyun , Hwang Cheol Seong
Published: November 2018

A true random number generator (TRNG) based on the stochastic delay and relaxation times of the threshold switching (TS) behavior in a Pt/HfO2/TiN memristor is proposed. The stochasticities of this device are attributed to its electron trapping and detrapping processes. This electronic‐switching‐based memristor exhibits several advantages, such as low power consumption and high reliability. A new circuit is designed to improve the simplicity, miniaturization, and lifetime of TRNG. The bitstreams collected from this TRNG pass the National Institute of Standards and Technology randomness tests without postprocessing, verifying the feasibility of adopting the memristor in hardware security applications. The bit generation rate in this work is sufficient for encryption applications requiring low power and low speed.
Mechanisms for Enhanced State Retention and Stability in Redox‐Gated Organic Neuromorphic Devices
Authors: Keene Scott Tom , Melianas Armantas , van de Burgt Yoeri , Salleo Alberto
Published: November 2018

Recent breakthroughs in artificial neural networks (ANNs) have spurred interest in efficient computational paradigms where the energy and time costs for training and inference are reduced. One promising contender for efficient ANN implementation is crossbar arrays of resistive memory elements that emulate the synaptic strength between neurons within the ANN. Organic nonvolatile redox memory has recently been demonstrated as a promising device for neuromorphic computing, offering a continuous range of linearly programmable resistance states and tunable electronic and electrochemical properties, opening a path toward massively parallel and energy efficient ANN implementation. However, one of the key issues with implementations relying on electrochemical gating of organic materials is the state‐retention time and device stability. Here, revealed are the mechanisms leading to state loss and cycling instability in redox‐gated neuromorphic devices: parasitic redox reactions and out‐diffusion of reducing additives. The results of this study are used to design an encapsulation structure which shows an order of magnitude improvement in state retention and cycling stability for poly(3,4‐ethylenedioxythiophene)/polyethyleneimine:poly(styrene sulfonate) devices by tuning the concentration of additives, implementing a solid‐state electrolyte, and encapsulating devices in an inert environment. Finally, a comparison is made between programming range and state retention to optimize device operation.
Hunting ionic liquids with large electrochemical potential windows
Authors: Lian Cheng , Liu Honglai , Li Chunzhong , Wu Jianzhong
Published: November 2018

Ionic liquids (ILs) with large electrochemical potential windows (EPWs) are ideally suited to improve the energy and power density of electrical devices for energy storage. However, guidelines are scarcely available for the selection or systematic screening of ILs for practical applications. Here, we present theoretical predictions for the EPW of thousands of cation‐anion pairs based on a long‐range corrected hybrid density functional theory. The cathodic and anodic potential limits were estimated from the highest occupied molecular orbital and lowest unoccupied molecular orbital energies of individual cations and anions. The approximate method predicts EPWs in reasonable agreement with existing experimental data for several commonly used ionic systems and can be used as a screening tool for a large library of ILs. Five most stable anions, with the cathode stability in the order of B[CN]4 > PF6 > BF4 > BOB>NTf2, have been identified. These anions provide the largest EPWs when they are paired with conventional organic cations. The cation stability is reduced upon elongation of the alkyl chain length or branching of the molecular backbone. © 2018 American Institute of Chemical Engineers AIChE J, 65: 804–810, 2019
Bridging the Surface Charge and Catalytic Activity of a Defective Carbon Electrocatalyst
Authors: Tao Li , Qiao Man , Jin Rong , Li Yan , Xiao Zhaohui , Wang Yuqing , Zhang Nana , Xie Chao , He Qinggang , Jiang Dechen , Yu Gang , Li Yafei , Wang Shuangyin
Published: November 2018

Electrocatalysis is dominated by reaction at the solid–liquid–gas interface; surface properties of electrocatalysts determine the electrochemical behavior. The surface charge of active sites on catalysts modulate adsorption and desorption of intermediates. However, there is no direct evidence to bridge surface charge and catalytic activity of active sites. Defects (active sites) were created on a HOPG (highly oriented pyrolytic graphite) surface that broke the intrinsic sp2‐hybridization of graphite by plasma, inducing localization of surface charge onto defective active sites, as shown by scanning ion conductance microscopy (SICM) and Kelvin probe force microscopy (KPFM). An electrochemical test revealed enhanced intrinsic activity by the localized surface charge. DFT calculations confirmed the relationship between surface charge and catalytic activity. This work correlates surface charge and catalytic activity, providing insights into electrocatalytic behavior and guiding the design of advanced electrocatalysts.
Enantioselective C(sp3)–H Amidation of Thioamides Catalyzed by a CobaltIII/Chiral Carboxylic Acid Hybrid System
Authors: Fukagawa Seiya , Kato Yoshimi , Tanaka Ryo , Kojima Masahiro , Yoshino Tatsuhiko , Matsunaga Shigeki
Published: November 2018

Recent advances in CpxMIII catalysis (M=Co, Rh, Ir) have enabled a variety of enantioselective C(sp2)−H functionalization reactions, but enantioselective C(sp3)−H functionalization is still largely unexplored. We describe an asymmetric C(sp3)−H amidation of thioamides using an achiral CoIII/chiral carboxylic acid hybrid catalytic system, which provides easy and straightforward access to chiral β‐amino thiocarbonyl and β‐amino carbonyl building blocks with a quaternary carbon stereocenter.
Bildung und Reaktivität eines Aluminabenzol‐Liganden an Seltenerdmetall‐Pentadienyl‐Komplexen
Authors: Barisic Damir , Schneider David , Maichle‐Mössmer Cäcilia , Anwander Reiner
Published: November 2018

Die halboffenen Seltenerdmetall‐Aluminabenzol‐Komplexe [(1‐Me‐3,5‐tBu2‐C5H3Al)(μ‐Me)Ln(2,4‐dtbp)] (Ln=Y, Lu) sind über eine Salzmetathese‐Reaktion unter Verwendung von Ln(AlMe4)3 und K(2,4‐dtbp) zugänglich. Die Umsetzung des Yttrium‐Komplexes mit B(C6F5)3 und tBuCCH ermöglicht den Zugang zum Pentafluorphenylalan‐Komplex [{1‐(C6F5)‐3,5‐tBu2‐C5H3Al}{μ‐C6F5}Y{2,4‐dtbp}] bzw. dem gemischten Vinylacetylid‐Komplex [(2,4‐dtbp)Y(μ‐η1:η3‐2,4‐tBu2‐C5H4)(μ‐CCtBu)AlMe2].
Catalytic Atropenantioselective Heteroannulation between Isocyanoacetates and Alkynyl Ketones: Synthesis of Enantioenriched Axially Chiral 3‐Arylpyrroles
Authors: Zheng Sheng‐Cai , Wang Qian , Zhu Jieping
Published: November 2018

We report herein the first examples of catalytic enantioselective synthesis of axially chiral 3‐arylpyrroles. Reaction of α‐isocyanoacetates with β‐aryl‐α,β‐alkynic ketones in the presence of silver oxide and a phosphine ligand derived from Cinchona alkaloid occurred chemoselectively to afford enantioenriched 3‐arylpyrroles in high yields with excellent enantiomeric excesses. The pyrrole ring was constructed de novo in this process.
Nitridophosphate – eine Erfolgsgeschichte der Nitridsynthese
Authors: Kloß Simon D. , Schnick Wolfgang
Published: November 2018

Nitridophosphate und Phosphornitride sind außerordentlich gut untersuchte Nitrid‐Verbindungen, deren Synthesemethoden sich, angefangen bei der Kondensation molekularer Vorläuferverbindungen bei moderaten Temperaturen und Umgebungsdruck, zu den heutzutage gängigen Hochtemperatur‐ und Hochdrucksynthesen weiterentwickelt haben. Seit Beginn der systematischen Forschung an Nitridophosphaten vor 30 Jahren hat diese Methodenentwicklung zu einer großen Element‐ und Strukturvielfalt geführt. In diesem Kurzaufsatz berichten wir über die Fortschritte der Nitridophosphat‐Synthese, insbesondere im Hinblick auf das allseits präsente Problem bei Nitriden: die Oxidationsanfälligkeit von Nitridionen.
Autonomic Behaviors in Lipase‐Active Oil Droplets
Authors: Wang Lei , Lin Youping , Zhou Yuting , Xie Hui , Song Jianmin , Li Mei , Huang Yudong , Huang Xin , Mann Stephen
Published: November 2018

Developing self‐fueled micro‐reactor droplets with programmable autonomic behaviors provides a step towards smart liquid dispersions comprising motile microscale objects. Herein, we prepare aqueous suspensions of lipase‐coated oil globules comprising a mixture of a triglyceride substrate (tributyrin, 1,2,3‐tributylglycerol) and a low‐density oil (polydimethylsiloxane, PDMS) and describe a range of active behaviors based on controlled enzyme‐mediated consumption of individual droplets under non‐equilibrium conditions. Encapsulation of the lipase‐coated lipid/PDMS droplets into a model protocell as energy‐rich sub‐compartments is demonstrated as an internalized mechanism for activating protocell buoyancy. Taken together, our results highlight opportunities for the regulation of autonomic behavior in enzyme‐powered oil droplets and provide a new platform for increasing the functionality and energization of synthetic protocells.
Formation and Reactivity of an Aluminabenzene Ligand at Pentadienyl‐Supported Rare‐Earth Metals
Authors: Barisic Damir , Schneider David , Maichle‐Mössmer Cäcilia , Anwander Reiner
Published: November 2018

The half‐open rare‐earth‐metal aluminabenzene complexes [(1‐Me‐3,5‐tBu2‐C5H3Al)(μ‐Me)Ln(2,4‐dtbp)] (Ln=Y, Lu) are accessible via a salt metathesis reaction employing Ln(AlMe4)3 and K(2,4‐dtbp). Treatment of the yttrium complex with B(C6F5)3 and tBuCCH gives access to the pentafluorophenylalane complex [{1‐(C6F5)‐3,5‐tBu2‐C5H3Al}{μ‐C6F5}Y{2,4‐dtbp}] and the mixed vinyl acetylide complex [(2,4‐dtbp)Y(μ‐η1:η3‐2,4‐tBu2‐C5H4)(μ‐CCtBu)AlMe2], respectively.
Taming Radical Intermediates for the Construction of Enantioenriched Trifluoromethylated Quaternary Carbon Centers
Authors: Calvo Roxan , Comas‐Vives Aleix , Togni Antonio , Katayev Dmitry
Published: November 2018

Demonstrated herein is the construction of trifluoromethylated quaternary carbon centers by an asymmetric radical transformation. Enantioenriched trifluoromethylated oxindoles were accessed using a hypervalent iodine‐based trifluoromethyl transfer reagent in combination with a magnesium Lewis acid catalyst and PyBOX‐type ligands to achieve up to 99 % ee and excellent chemical yields. Mechanistic studies were performed by experimental and computational methods and suggest a single‐electron transfer induced SN2‐type mechanism. This example is thereby the first report on the construction of enantioenriched trifluoromethylated carbon centers using hypervalent iodine‐based reagents proceeding through such a reaction pathway.
Potential of RNA interference in the study and management of the whitefly, Bemisia tabaci
Authors: Grover Sajjan , Jindal Vikas , Banta Geetika , Taning Clauvis Nji Tizi , Smagghe Guy , Christiaens Olivier
Published: November 2018

Whiteflies cause considerable losses to crops, directly by feeding, and indirectly by transmission of viruses. The current control methods consist of a combination of different control tactics, mainly still relying on unsafe and non‐ecofriendly chemical control. RNA interference (RNAi) is a post‐transcriptional gene‐silencing strategy in which double‐stranded RNA (dsRNA), corresponding specifically to a target gene, is introduced in a target organism. Research on RNAi in the previous decade has shown its success as a potential insect control strategy, which can be highly species‐specific and environment friendly. In whiteflies, the success of dsRNA delivery through the oral route opened possibilities for its management through plant‐mediated RNAi. To date, several genes have been targeted in whiteflies through RNAi and these assays demonstrated its potential to manage whiteflies at lab level. However, further research and investments are needed to move toward an application at field level. In this review, for the first time, we collected the literature on genes targeted for silencing via RNAi in whiteflies and discuss the potential of RNAi in whitefly pest control. We also discuss likely delivery methods, including transgenic in planta delivery and symbiont‐mediated delivery, and its potential for studying and interfering with insecticide resistance mechanisms and virus transmission by whiteflies.
Protein–protein interaction network analysis of insecticide resistance molecular mechanism in Drosophila melanogaster
Authors: Zhang GuiLu , Zhang WenJun
Published: November 2018

The problem of resistance has not been solved fundamentally at present, because the development speed of new insecticides can not keep pace with the development speed of resistance, and the lack of understanding of molecular mechanism of resistance. Here we collected seed genes and their interacting proteins involved in insecticide resistance molecular mechanism in Drosophila melanogaster by literature mining and the String database. We identified a total of 528 proteins and 13514 protein–protein interactions. The protein interaction network was constructed by String and Pajek, and we analyzed the topological properties, such as degree centrality and eigenvector centrality. Proteasome complexes and drug metabolism—cytochrome P450 were an enrichment by Gene Ontology and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis. This is the first time to explore the insecticide resistance molecular mechanism of D. melanogaster by the methods and tools of network biology, it can provide the bioinformatic foundation for further understanding the mechanisms of insecticide resistance.
Sustainability reporting and stakeholder engagement inSpain: Different instruments, different quality
Authors: Romero Silvia , Ruiz Silvia , Fernandez‐Feijoo Belen
Published: November 2018

The purpose of this paper is to compare the quality of the sustainability information issued following the three most common reporting models: annual report (addressed to shareholders), sustainability report (addressed to stakeholders), and integrated report (addressed to shareholders). To this aim, we create a quality index based on previous literature, analyzing the content of the sustainability information disclosed by Spanish listed companies during the years 2013 to 2015. We find that companies issuing sustainability reports or integrated reports provide higher quality information than companies including their sustainability information within the annual report. We also find that sustainability reports are issued with higher quality than integrated reports. Both findings indicate that companies in Spain are engaged in a dialogue with all stakeholders, not only shareholders. Our results offer insights on the need to improve the framework of the integrated report in order to achieve the objectives of the International Integrated Reporting Council and to get a speed up in the adoption of this new reporting tool.
The relationship between psychotherapy practice and research: A mixed‐methods exploration of practitioners’ views
Authors: Bager‐Charleson Sofie , McBeath Alistair , Plock Simon Du
Published: November 2018

Background

References are frequently made to a strained relationship between therapeutic practice and research. This study has developed in response this critique.

Aims

This study aims to explore therapists’ views on the relationship between research and clinical practice, guided by some of the following questions; What sort of relationship do therapists feel that they have with research? What amount of formal research training do therapists have? To what extent do therapists feel that their own research is valued? To what extent does research inform therapists’ clinical practice?

Methodology

The study is anchored in mixed‐methods framework (Hesse‐Biber, 2010; Priest, 2013) drawing from a survey (n = 92) distributed within and outside the UK and coupled with interviews (n = 9) approached within a narrative thematic framework.

Findings

Both the survey and interviews suggested a sense of “homelessness” for researchers in the field of therapy. Obstacles were referred to within and outside the therapeutic community. Some referred to little training, and many felt unsupported among colleagues and employers when pursuing research. One therapist said “The scientists and researchers I work with; they know they have a career in research – you get rewarded and promoted. That kind of recognition doesn't exist in therapy.”

Implications

To meet the increased requirements of research‐supported practice, the study suggests that more systematic efforts are required to support psychotherapists’ engagement in research activities.
Taking stock of descriptive–interpretative qualitative psychotherapy research: Issues and observations from the front line
Authors: Timulak Ladislav , Elliott Robert
Published: November 2018

The paper offers a perspective on some of the methodological issues present in current qualitative psychotherapy research (QPR). The authors are involved in this type of research (for 20 and 40 years, respectively) as researchers, as reviewers of papers submitted to journals publishing QPR, as well as past editors of such journals. The authors reflect at how the overall field of psychotherapy research has had an influence on how QPR is conducted. The authors further discuss a wide range of issues pertaining to QPR that often bring confusion in the community of psychotherapy researchers. These include: brand naming largely overlapping qualitative methods; epistemological confusion arising from the context and application of these methods; issues of data collection and the range of types of qualitative data; the confounding of investigative questions or aims with findings; the issue of interpretative frameworks in data analysis; strategies by which findings are generated; difficulties in assessing the representativeness of findings to the target sample; issues of generalisability of findings; and possibilities for developing cumulative knowledge across studies. The paper specifically focuses on those genres of qualitative research that have a descriptive–interpretative character, typically represented by brand‐name approaches such as empirical phenomenology, hermeneutics, interpretative phenomenological analysis, consensual qualitative research, grounded theory and thematic analysis, etc.
The histone deacetylase inhibitor panobinostat exerts anticancer effects on esophageal squamous cell carcinoma cells by inducing cell cycle arrest
Authors: Cheng Yin‐Wei , Liao Lian‐Di , Yang Qian , Chen Yang , Nie Ping‐Juan , Zhang Xiao‐Jun , Xie Jian‐Jun , Shan Bao‐En , Zhao Lian‐Mei , Xu Li‐Yan , Li En‐Min
Published: November 2018

Esophageal squamous cell carcinoma (ESCC) is a common malignancy without effective therapy. Histone deacetylase inhibitors (HDACIs) have been demonstrated as an emerging class of anticancer drugs for a range of haematological and solid tumours. However, the effect of HDACIs has not yet been investigated on ESCC cells. In this study, HDACIs were initially considered to have anticancer activity for ESCC, due to the high expression of HDAC genes in ESCC cell lines by analysing expression data of 27 ESCC cell lines from the Broad‐Novartis Cancer Cell Line Encyclopedia. Next, we used five ESCC cell lines and one normal immortalized esophageal epithelial cell line to screen three HDACIs, panobinostat (LBH589), vorinostat (SAHA), and trichostatin A (TSA), for the ability to inhibit growth. Here, we report that LBH589 more effectively suppressed cell proliferation of ESCC cell lines, in a dose‐dependent manner, than TSA and SAHA, as well as had lower toxicity against the SHEE normal immortalized esophageal epithelial cell line. Further experiments indicated that LBH589 treatment significantly inhibited TP53 (mutated TP53) expression, both at the mRNA and protein level, and simultaneously increased p21 and decreased cyclin D1 expression. Taken together, we propose that LBH589 inhibits ESCC cell proliferation mainly through inducing cell cycle arrest by increasing p21 and decreasing cyclin D1 in a p53‐independent manner.

Significance of the study

In this study, the antitumor activity of HDACIs LBH589, SAHA, and TSA on ESCC was characterized, with LBH589 displaying the most potent anti‐proliferative activity while not harming normal immortalized esophageal epithelial cells. Furthermore, we propose that LBH589 exerts its anti‐proliferative effect by inducing cell cycle arrest. The ability to specifically target cancer cells indicates therapeutic potential for use of LBH589 in the treatment of ESCC.
Hollow‐Co3O4@Co3O4@SiO2 Multi‐Yolk‐Double‐Shell Nanoreactors for Highly Efficient CO Oxidation
Authors: Wang Yajing , Chen Zhijie , Fang Ruiqi , Li Yingwei
Published: November 2018

The engineering of highly active, stable, and inexpensive catalysts for CO oxidation reaction through the modulations of morphology and structure is desirable but remains a great challenge. Herein, we reported the rational design of novel hollow‐Co3O4@Co3O4@SiO2 multi‐yolk‐double‐shell nanoreactors by using a two‐step annealing recipe employing core‐shelled ZIF‐67@SiO2 as a precursor. The unique structures of the multi‐yolk‐double‐shell and hollow interior of Co3O4 endowed the materials with promising properties of sufficient active interfacial sites, porous structures, efficient oxygen delivery capacity, and more oxygen vacancies, which were beneficial for CO oxidation. Consequently, the H−Co3O4@Co3O4@SiO2(35)‐250 nanoreactor exhibited outstanding catalytic performance, achieving complete CO conversion at 100 °C, which was far exceeding that of hollow Co3O4 NPs derived from pure ZIF‐67 and also solid Co3O4@SiO2(35)‐250 with a complete conversion of CO at 190 and 230 °C, respectively, and even outperformed most of the reported Co3O4‐based catalysts. Moreover, H−Co3O4@Co3O4@SiO2(35)‐250 could continuously work for 28 h without any deactivation and maintain 93 % CO conversion within 34 h at 100 °C. The proposed strategy of designing and fabricating novel structures offers great opportunities in developing highly active hollow metal oxide‐based nanoreactors for a variety of advanced applications.
One‐Pot Production of Natural 2‐Phenylethanol from L‐Phenylalanine via Cascade Biotransformations
Authors: Lukito Benedict Ryan , Wu Shuke , Saw Heng Jie Jonathan , Li Zhi
Published: November 2018

2‐Phenylethanol (2‐PE) is an aroma compound with a rose‐like odors widely used as food ingredient, and natural 2‐PE is much preferred for the application with high selling price but limited availability. Bioproduction of 2‐PE from bioresources could provide a green, sustainable, and economic process to manufacture natural 2‐PE. Here we report a novel artificial cascade biotransformation to convert bioderived L‐phenylalanine (L‐Phe) to natural 2‐PE via deamination, decarboxylation, epoxidation, isomerization, and reduction in one pot. Recombinant E. coli strains co‐expressing the 5 necessary enzymes were engineered by using double plasmids, modular approach, and random combination as highly active, easily available, and recyclable biocatalysts. Two‐phase biotransformation with E. coli (RE) cells using biodiesel, a green and easily available solvent for in situ product extraction to minimize the inhibition, significantly improved product concentration and yield, converting 80 mM of L‐Phe to 71 mM (8.8 g/L, 89 % yield) of 2‐PE. The inhibition of 2‐PE was also reduced through in‐situ product adsorption using XAD4 resins. Using XAD4‐biodiesel‐aqueous buffer 3‐phase system could further enhance the concentration of 2‐PE to 85 mM (10.4 g/L, 85 % yield). The developed artificial cascade biotransformation of L‐Phe to 2‐PE is much better than other reported bioproductions of 2‐PE and provides high‐yielding, sustainable, and potentially practical synthesis of high‐value natural 2‐PE.
Direct Oxidation of Csp3−H bonds using in Situ Generated Trifluoromethylated Dioxirane in Flow
Authors: Lesieur Mathieu , Battilocchio Claudio , Labes Ricardo , Jacq Jérôme , Genicot Christophe , Ley Steven V. , Pasau Patrick
Published: November 2018

A fast, scalable, and safer Csp3−H oxidation of activated and un‐activated aliphatic chains can be enabled by methyl(trifluoromethyl)dioxirane (TFDO). The continuous flow platform allows the in situ generation of TFDO gas and its rapid reactivity toward tertiary and benzylic Csp3−H bonds. The process exhibits a broad scope and good functional group compatibility (28 examples, 8–99 %). The scalability of this methodology is demonstrated on 2.5 g scale oxidation of adamantane.
Predictive assessment of copula models
Authors: Acar Elif F. , Azimaee Parisa , Hoque Md. Erfanul
Published: November 2018

Copulas are powerful explanatory tools for studying dependence patterns in multivariate data. While the primary use of copula models is in multivariate dependence modelling, they also offer predictive value for regression analysis. This article investigates the utility of copula models for model‐based predictions from two angles. We assess whether, where, and by how much various copula models differ in their predictions of a conditional mean and conditional quantiles. From a model selection perspective, we then evaluate the predictive discrepancy between copula models using in‐sample and out‐of‐sample predictions both in bivariate and higher‐dimensional settings. Our findings suggest that some copula models are more difficult to distinguish in terms of their overall predictive power than others, and depending on the quantity of interest, the differences in predictions can be detected only in some targeted regions. The situations where copula‐based regression approaches would be advantageous over traditional ones are discussed using simulated and real data. The Canadian Journal of Statistics 47: 8–26; 2019 © 2018 Statistical Society of Canada
Advances in the cytologic diagnosis of gastroenteropancreatic neuroendocrine neoplasms
Authors: Sigel Carlie S.
Published: November 2018

Two‐thirds of neuroendocrine neoplasms arising in the human body originate from the gastrointestinal system or pancreas. Gastroenteropancreatic neuroendocrine neoplasms are heterogeneous, comprising both well differentiated neuroendocrine tumors (NETs) and poorly differentiated neuroendocrine carcinomas (NECs). The clinical presentation, molecular characteristics, and behavior are distinct for NETs and NECs. Fine‐needle aspiration is an important modality for the primary diagnosis and staging of these neoplasms and can provide information of prognostic and therapeutic significance. Our evolving understanding of neuroendocrine neoplasm biology has led to several iterations of classification. In this review, new concepts and issues most relevant to cytology diagnosis of gastroenteropancreatic neuroendocrine neoplasms are discussed, such as newer detection methods that aid in diagnosis and staging, recent changes in World Health Organization classification, practical issues related to grading these neoplasms on cytology, guidelines for diagnostic reporting, and panels of immunohistochemical stains for the diagnosis of metastasis. The current understanding of genetic and epigenetic events related to tumor development and potential applications for cytology also are presented as they relate to prognostication and recent therapeutic advances.
Color evolution during a coating process of pharmaceutical tablet cores by random spraying
Authors: Murillo Mac Arturo , Rodríguez‐Pulido Francisco J. , Heredia Francisco J. , Melgosa Manuel , Pacheco Jorge , Vargas Ronny , Montero Ernesto , Gutiérrez Dionisio
Published: November 2018

Placebo white tablet cores (lactose anhydrous [47.6%], corn starch [23.8%], microcrystalline cellulose [19.1%], polyvinylpyrrolidone [7.9%], magnesium stearate [0.8%], and talcum powder [0.8%]) were coated with a colorant (hydroxypropyl methylcellulose [8% w/v], titanium dioxide [0.2% w/v], FD&C yellow No. 6 with aluminum lacquer [0.8% w/v], polyethylene glycol 4000 [0.4% w/v], and purified water [q.s.p. 100 mL]) using a random spraying method during 130 minutes. During the coating process, batches of 21 samples were extracted every 10 minutes and measured with a DigiEye imaging system. The initial cores showed very similar and uniform colors (Mean Color Difference from the Mean [MCDM] of 0.8 CIELAB units), but partially coated tablets showed lower uniformity (MCDM below 2.0 CIELAB units). There was a high color variability (MCDM about 4.0 CIELAB units) among tablets of the same batch in the period between 10 and 30 minutes, which decreased as the coating process progressed, until achieving a final acceptable value (MCDM below 2.0 CIELAB units). During the coating process, L* decreased, C*ab strongly increased, and h
ab remained nearly constant (disregarding results at 0 and 10 minutes). CIELAB and CIEDE2000 color differences (mainly chroma differences) with respect to the initial color of the tablets were modeled as a function of time by exponential functions with three coefficients. The color change in the interval from 90 to 130 minutes (4.3 CIELAB units, or 2.6 CIEDE2000 units), may be considered negligible bearing in mind the color variability in the batches of 21 samples and typical values of visual color thresholds.
MapReduce‐based storage and indexing for big health data
Authors: N.R. Gayathiri , A.M. Natarajan
Published: November 2018

Locality Sensitive Hashing (LSH) uses randomized method to alleviate Nearest Neighbor Search issue in high dimensional spaces. However, handling of big dataset samples for LSH algorithm becomes difficult task because of computational complexity. So, the major aim of this work is to introduce a new LSH algorithm with Hadoop MapReduce framework for enhancing proficiency of arbitrary reads over big dataset samples. The proposed Hash index improves efficiency by reducing the amount of accessing data for range queries by creating buckets based on hyperplanes. A LSH on MapReduce is developed, which decreases the random data access time among map and reduce functions, in addition, it enhances proficiency. Lastly, with the aim of validating the performance of presented index for search query in MapReduce, five performance metrics such as changing cluster size, LSH for Bucket size Balancing, the overlapped boundary of a hyperplane, Bucket creation based on the configured capacity, and non‐indexed, Hash index, and global indexed dataset on the HDFS configured capacity are utilized. The effect of these metrics on dataset on the HDFS configured capacity for the period of map and reduce functions as well depicts the pre‐eminence of the presented Hash index.
Dynamics of interval Cohen‐Grossberg neural networks with time‐varying delays based on LMI computation
Authors: Tan Manchun , Song Zhiqiang , Liu Yunfeng , Li Zhong
Published: November 2018

The problem of the global robust exponential stability of delayed interval Cohen‐Grossberg neural networks is considered. By constructing suitable Lyapunov functional and using the linear matrix inequality (LMI) technique, some sufficient conditions are derived to ensure the existence, uniqueness and robust exponential stability of the equilibrium point. Based on LMI computation, numerical examples are employed to show that the new results are less restrictive and less conservative than some existing results in the literature.
Manual versus automated qualitative usability assessment of interactive systems
Authors: Sagar Kalpna , Gupta Deepak , Sangaiah Arun K.
Published: November 2018

The purpose of this paper is to compare the end results generated after usability assessment by two different ways. The assessment of top‐fifty academic websites is done by employing the tool and by involving end‐users. This research work is performed to assess latest heuristic guidelines for academic websites under three different categories i.e. {Social Media, Mobile and Security} by involving a hundred end‐users as well as by evaluating the websites using the tool. Association rule is implemented on the collected qualitative data to recognize common usability problem patterns pertaining to academic websites but from two uncommon perspectives. This study further compares these problematic patterns to provide more comprehensive analysis. Our findings investigate that most of the usability problems have been uncovered by the end‐users on academic websites that are not detected by tool. In other words, there are several key features that these tools are failed to evaluate. On the contrary, end‐users can help in evaluating these features and uncover remarkable usability problematic issues on any interactive system.
Role of Dimensionality for Photocatalytic Water Splitting: CdS Nanotube versus Bulk Structure
Authors: Garg Priyanka , Bhauriyal Preeti , Mahata Arup , Rawat Kuber Singh , Pathak Biswarup
Published: November 2018

Using state‐of‐the‐art density functional theoretical calculations, we have modelled a facetted CdS nanotube (NT) catalyst for photocatalytic water splitting. The overall photocatalytic activity of the CdS photocatalyst has been predicted based on the electronic structures, band edge alignment, and overpotential calculations. For comparisons, we have also investigated the water splitting process over bulk CdS. The band edge alignment along with the oxygen evolution reaction/hydrogen evolution reaction (OER/HER) mechanism studies help us find out the effective overpotential for the overall water splitting on these surfaces. Our study shows that the CdS NT has a highly stabilized valence band edge compared to that of bulk CdS owing to strong p–d mixing. The highly stabilized valence band edge is important for the hole‐transfer process and reduces the risk of electron‐hole recombination. CdS nanotube requires less overpotential for water oxidation reaction than the bulk CdS. Our findings suggest that the efficiency of the water oxidation/reduction process further improves in CdS as we reduce its dimensionality, that is going from bulk CdS to one‐dimensional nanotube. Furthermore, the stabilized valence band edge of CdS nanotube also improves the photostability of CdS, which is a problem for bulk CdS.
Tailoring the Molecular Skeleton of Aza‐BODIPYs to Design Photostable Red‐Light‐Emitting Laser Dyes
Authors: Prieto‐Castañeda Alejandro , Avellanal‐Zaballa Edurne , Gartzia‐Rivero Leire , Cerdán Luis , Agarrabeitia Antonia R. , García‐Moreno Inmaculada , Bañuelos Jorge , Ortiz María J.
Published: November 2018

In this article the design and characterization of a set of novel red‐light‐emitting laser aza‐BODIPY dyes is reported. The applied synthetic method allows an exhaustive and versatile functionalization of both the dipyrrin core and the boron bridge. From the analysis of the photophysical and laser signatures, we determine the suitable modifications of the chromophoric backbone necessary to modulate the emission spectral region, efficiency and photostability under a strong irradiation regime. These dyes are endowed with efficient fluorescence and laser emission, and are particularly outstanding in terms of their high photostability, a key parameter to guarantee long‐lasting emission in any (bio)technological application. The herein‐reported results support, for the first time, the viability of aza‐BODIPYs as tunable red laser dyes. In fact, the laser performances of some of the tested aza‐BODIPYs surpass those of commercially available laser dyes in the same spectral region.
Lignin Valorization by Cobalt‐Catalyzed Fractionation of Lignocellulose to Yield Monophenolic Compounds
Authors: Rautiainen Sari , Di Francesco Davide , Katea Sarmad Naim , Westin Gunnar , Tungasmita Duangamol N. , Samec Joseph S. M.
Published: November 2018

Herein, a catalytic reductive fractionation of lignocellulose is presented using a heterogeneous cobalt catalyst and formic acid or formate as a hydrogen donor. The catalytic reductive fractionation of untreated birch wood yields monophenolic compounds in up to 34 wt % yield of total lignin, which corresponds to 76 % of the theoretical maximum yield. Model compound studies revealed that the main role of the cobalt catalyst is to stabilize the reactive intermediates formed during the organosolv pulping by transfer hydrogenation and hydrogenolysis reactions. Additionally, the cobalt catalyst is responsible for depolymerization reactions of lignin fragments through transfer hydrogenolysis reactions, which target the β‐O‐4′ bond. The catalyst could be recycled three times with only negligible decrease in efficiency, showing the robustness of the system.
Imprint cytology of strumal carcinoid of the ovary: A case report with immunocytochemical analysis
Authors: Ishida Mitsuaki , Arimoto Tomoko , Sandoh Kaori , Okano Kimiaki , Ebisu Yusuke , Ito Hiroko , Matsumoto Mio , Mizokami Tomomi , Kita Masato , Okada Hidetaka , Tsuta Koji
Published: November 2018

Strumal carcinoid is a rare ovarian tumor defined as carcinoid associated with struma ovarii. We report here the second cytological case of strumal carcinoid and performed immunocytochemical analysis for the first time. A 68‐year‐old Japanese female was found to have a solid tumor with small cystic components in the left ovary, and bilateral salpingo‐oophorectomy was performed. The Papanicolaou smear of the imprint cytological specimen of the left ovarian tumor revealed presence of two distinct components. The first component included thyroid follicles, which was composed of flat sheets of polygonal epithelial cells without nuclear groove and intranuclear inclusion. The other component was composed of trabecular clusters of columnar cells containing round to slender nuclei with “salt and pepper” chromatin. Immunocytochemical analysis revealed that synaptophysin was expressed in the latter component. Therefore, a cytodiagnosis of strumal carcinoid was made. Histopathological analyses confirmed the diagnosis of strumal carcinoid. Albeit rare, carcinoid tumor occurs in the ovary, and the recognition of characteristic nuclear features and cellular arrangement leads to correct cytodiagnosis. Presence of struma ovarii component suggests an ovarian origin. Moreover, immunocytochemical analysis for neuroendocrine markers aids its differential diagnosis from granulosa cell tumor and carcinoma arising from struma ovarii.