bluuebunny/crossref_metadata_2025 huggingface dataset:
Zinc Coordination Polymers Containing Isomeric Forms of p‐(Thiazolyl)benzoic Acid: Blue‐Emitting Materials with a Solvatochromic Response to Water
Authors: Staderini Samuele , Tuci Giulia , Luconi Lapo , Müller Philipp , Kaskel Stefan , Eychmüller Alexander , Eichler Franziska , Giambastiani Giuliano , Rossin Andrea
Published: September 2017

Two coordination polymers of assorted dimensionality (1D, 2D) have been prepared, namely [Zn3(L2Th)4(OH)2·2(HL2Th)]∞ (1) and [Zn(L5Th)(OAc)]∞ (2), starting from ZnII salts and the isomeric forms of the organic linker p‐(thiazolyl)benzoic acid: p‐(2‐thiazolyl)benzoic acid (HL2Th) and p‐(5‐thiazolyl)benzoic acid (HL5Th). The isomers have been prepared ad hoc, following straightforward Pd‐catalyzed C–C coupling reaction protocols. In 1, the deprotonated ligand is coordinated through its carboxylate group only, with dangling thiazole groups. The –COO– units are bridging adjacent metal centers, thus creating a 1D chain. The Zn3 cluster is made of one six‐coordinate (Oh) and two four‐coordinate (Td) ZnII ions; triple‐bridging µ3‐OH groups are balancing the overall positive charge. The structure of 2 is instead made of Zn2(carboxylate)4 “paddle‐wheel” dimers as the constituting inorganic node. The octahedral metal coordination sphere includes two µ‐(κ‐COO) benzoate spacers, two µ‐(κ‐COO) acetate ions, the thiazole N atoms coming from adjacent building blocks, and a weak Zn···Zn axial interaction. The resulting final assembly is two‐dimensional (2D), where p‐(5‐thiazolyl)benzoate adopts a genuine µ‐[κ(COO):κ(N)] bridging coordination mode. The luminescent properties of both polymers have been analyzed in the solid state; they feature ligand‐centered emissions at λ = 434 nm (1) and λ = 427 nm (2). These electronic transitions fall in the visible region, giving the samples a characteristic blue color under an ordinary UV lamp (excitation at λ = 254 nm). The theoretical analysis of the electronic features of the ligands and related molecular orbitals reveals that the observed transitions are mainly of π→π* nature, involving π orbitals delocalized on both aromatic cycles. A significant (reversible) blueshift of the emission maximum of ca. 60 nm, from the visible to the UV region, has been observed for 1 when suspended in water.
Construction of Four Indium‐Based Heterometallic Metal–Organic Frameworks Containing Intersecting Indium–Organic Helical Chains and Different Divalent‐Metal‐Ion Linkers
Authors: Deng Chu‐Chu , Li Xin‐Xiong , Qi Yan‐Jie , Ma Xiang , Zheng Shou‐Tian , Zeng Qing‐Xin
Published: September 2017

Four indium‐based heterometallic metal–organic frameworks In3M(IMDC)3(NO3)2(H2O)6·solvent (2‐M, M = Mn, Co, Zn, Mg, H3IMDC = imidazole‐4,5‐dicarboxylic acid) have been made under solvothermal conditions, and are characterized by single‐crystal X‐ray diffraction studies, energy‐dispersive X‐ray spectroscopy, infrared spectroscopy, thermogravimetric analysis, and powder X‐ray diffraction analysis. Structural analysis indicates that 2‐M exhibit 3D porous frameworks generated by linking three intersecting 1D In–IMDC helical chains with different M2+ ions. Powder X‐ray diffraction studies reveal that 2‐M exhibit good thermal and water stability. Furthermore, 2‐M show moderate gas adsorption abilities that can be modulated by introducing different M2+ ions. Finally, the solid‐state luminescent emissions of 2‐M at room temperature are also elucidated.
Catalytic Enantioselective Nazarov Cyclization
Authors: Jolit Anais , Dickinson Cody F. , Kitamura Kei , Walleser Patrick M. , Yap Glenn P. A. , Tius Marcus A.
Published: September 2017

A detailed account of an asymmetric Nazarov cyclization that leads to α‐hydroxycyclopentenones bearing either vicinal, all‐carbon quaternary centers, or vicinal quaternary and tertiary centers is given. The all‐aliphatic examples represent the greatest challenge, as the dienone starting materials are not activated toward cyclization by an aryl group. The rational design and optimization of the substrates in parallel with optimization of the chiral Brønsted acid catalyst is also described, as well as a series of diastereoselective transformations of a fully substituted cyclopentenone product.
Manipulation of Donor–Acceptor Interactions in Carbazole‐Based Emitters by Chromophore Choice To Achieve Near‐UV Emission
Authors: Joseph Vellaichamy , Thomas K. R. Justin , Singh Meenu , Sahoo Snehasis , Jou Jwo‐Huei
Published: September 2017

New organic materials containing a cyano‐functionalized carbazole moiety at one end linked to different chromophores such as fluorene, carbazole, and triphenylamine at the other end through an acetylene spacer are synthesized and characterized by photophysical, electrochemical, thermal, and electroluminescence studies. A meta‐like linkage at the C‐2 and C‐7 atoms of the central carbazole moiety and the choice of chromophore restricted the emission to the near‐ultraviolet region. The photophysical properties of the compounds depend on the nature of the chromophore attached to the carbazole unit. A triphenylamine‐substituted derivative exhibited the longest wavelength emission in the series, attributable to the elongated conjugation and electron richness of triphenylamine, whereas the phenyl‐ and fluorene‐functionalized molecules showed the shortest wavelength emissions with vibronic patterns. The compounds containing carbazole and triphenylamine units exhibited positive solvatochromism in their fluorescence spectra, and this behavior is characteristic of charge transfer from a donor to an acceptor. A fluorene derivative containing cyano substituents at the carbazole and fluorene moieties exhibited the best electroluminescence characteristics in the series, probably because of balanced charge transport and effective confinement of the excitons in the emissive layer.
Late hepatitis B reactivation following direct‐acting antiviral–based treatment of recurrent hepatitis C in an anti‐HBc–positive liver transplant recipient
Authors: Vionnet Julien , Pascual Manuel , Testoni Barbara , Combet Christophe , Godat Sébastien , Vijgen Sandrine , Aubert Vincent , Rubbia‐Brandt Laura , Zoulim Fabien , Moradpour Darius
Published: September 2017

Direct‐acting antivirals (DAAs) have changed the landscape of hepatitis C virus (HCV) treatment, but chronic hepatitis C (CHC) remains a leading indication for liver transplantation (LT). Hepatitis B virus (HBV) reactivation has been reported in HBV‐HCV‐coinfected patients treated with DAAs. We report on a case of late HBV reactivation after DAA‐based treatment of recurrent hepatitis C in an antibody against hepatitis B core antigen (anti‐HBc)‐positive LT recipient. (Hepatology 2018;67:791‐793).
Human leukocyte antigen variants and risk of hepatocellular carcinoma modified by hepatitis C virus genotypes: A genome‐wide association study
Authors: Lee Mei‐Hsuan , Huang Yu‐Han , Chen Hsuan‐Yu , Khor Seik‐Soon , Chang Ya‐Hsuan , Lin Yu‐Ju , Jen Chin‐Lan , Lu Sheng‐Nan , Yang Hwai‐I , Nishida Nao , Sugiyama Masaya , Mizokami Masashi , Yuan Yong , L'Italien Gibert , Tokunaga Katsushi , Chen Chien‐Jen ,   for the REVEAL‐HCV Cohort Study Group
Published: September 2017

We conducted a genome‐wide association study to discover genetic variants associated with hepatitis C virus (HCV)–related hepatocellular carcinoma (HCC). We genotyped 502 HCC cases and 749 non‐HCC controls using the Axiom‐CHB genome‐wide array. After identifying single‐nucleotide polymorphism clusters located in the human leukocyte antigen (HLA) region which were potentially associated with HCC, HLA‐DQB1 genotyping was performed to analyze 994 anti‐HCV seropositives collected in the period 1991‐2013 in a community‐based cohort for evaluating long‐term predictability of HLA variants for identifying the risk of HCC. Cox proportional hazards models were used to estimate the hazard ratios and 95% confidence intervals of HLA genotypes for determining the aforementioned HCC risk. Eight single‐nucleotide polymorphisms in the proximity of HLA‐DQB1 were associated with HCC (P < 8.7 × 10−8) in the genome‐wide association study. Long‐term follow‐up showed a significant association with HLA‐DQB1*03:01 and DQB1*06:02 (P < 0.05). The adjusted hazard ratios associated with HCC were 0.45 (0.30‐0.68) and 2.11 (1.34‐3.34) for DQB1*03:01 and DQB1*06:02, respectively. After stratification by HCV genotypes, DQB1*03:01 showed protective effects only in patients with HCV genotype 1, whereas DQB1*06:02 conferred risk of HCC only in patients with HCV non‐1 genotypes. HLA imputation analyses revealed that HLA‐DRB1*15:01, which is in linkage disequilibrium with DQB1*06:02, also increased the risk of HCC (odds ratio, 1.96; 95% confidence interval, 1.31‐2.93). Haplotype analysis supported that DQB1*03:01 and DQB1*06:02 are primarily protective and susceptible variants, respectively. Conclusion: HLA‐DQB1 was independently associated with HCC; HCV genotypes modified the effects of HLA‐DQB1 on the risk of HCC. (Hepatology 2018;67:651‐661).
A naive Bayes algorithm for tissue origin diagnosis (TOD‐Bayes) of synchronous multifocal tumors in the hepatobiliary and pancreatic system
Authors: Jiang Weiqin , Shen Yifei , Ding Yongfeng , Ye Chuyu , Zheng Yi , Zhao Peng , Liu Lulu , Tong Zhou , Zhou Linfu , Sun Shuo , Zhang Xingchen , Teng Lisong , Timko Michael P. , Fan Longjiang , Fang Weijia
Published: September 2017

Synchronous multifocal tumors are common in the hepatobiliary and pancreatic system but because of similarities in their histological features, oncologists have difficulty in identifying their precise tissue clonal origin through routine histopathological methods. To address this problem and assist in more precise diagnosis, we developed a computational approach for tissue origin diagnosis based on naive Bayes algorithm (TOD‐Bayes) using ubiquitous RNA‐Seq data. Massive tissue‐specific RNA‐Seq data sets were first obtained from The Cancer Genome Atlas (TCGA) and ∼1,000 feature genes were used to train and validate the TOD‐Bayes algorithm. The accuracy of the model was >95% based on tenfold cross validation by the data from TCGA. A total of 18 clinical cancer samples (including six negative controls) with definitive tissue origin were subsequently used for external validation and 17 of the 18 samples were classified correctly in our study (94.4%). Furthermore, we included as cases studies seven tumor samples, taken from two individuals who suffered from synchronous multifocal tumors across tissues, where the efforts to make a definitive primary cancer diagnosis by traditional diagnostic methods had failed. Using our TOD‐Bayes analysis, the two clinical test cases were successfully diagnosed as pancreatic cancer (PC) and cholangiocarcinoma (CC), respectively, in agreement with their clinical outcomes. Based on our findings, we believe that the TOD‐Bayes algorithm is a powerful novel methodology to accurately identify the tissue origin of synchronous multifocal tumors of unknown primary cancers using RNA‐Seq data and an important step toward more precision‐based medicine in cancer diagnosis and treatment.
In vitroandin vivodegradation of microfiber bioresorbable coronary scaffold
Authors: Huang Chi‐Hung , Lee Sheng‐Yang , Horng Sonida , Guy Louis‐Georges , Yu Ting‐Bin
Published: September 2017

The degradation of Mirage Bioresorbable Microfiber Scaffold was evaluatedin vitroandin vivo. The degradation in polymer molecular weight (MW), strut morphology, and integrity was accessed using gel permeation chromatography (GPC), X‐ray micro‐computed tomography (micro‐CT) evaluation. To simulate the physiological degradationin vitro, scaffolds were deployed in silicone mock vessels connected to a peristaltic pumping system, which pumps 37°C phosphate‐buffered saline (PBS, pH 7.4) at a constant rate. At various time points (30D, 60D, 90D, 180D, 270D,and360D), the MW of microfibers decreased to 57.3, 49.8, 36.9, 13.9, 6.4, and 5.1% against the baseline. Thein vivodegradation study was performed by implanting scaffolds in internal thoracic arteries (ITAs) of mini‐swine. At the scheduled sacrifice time points (30D, 90D, 180D, 270D, 360D, and 540D), the implanted ITAs were excised for GPC analysis; the MW of the implanted scaffolds dropped to 58.5, 34.7, 24.8, 16.1, 12.9, and 7.1, respectively. Mass loss of scaffolds reached 72.4% at 540D of implantation. Two stages of hydrolysis were observed inin vitroand invivodegradation kinetics, and the statistical analysis suggested a positive correlation betweenin vivoandin vitrodegradation. After 6 months of incubation in animals, significant strut degradation was seen in the micro‐CT evaluation in all sections as strut fragments and separations. The micro‐CT results further confirmed that every sample at 720D had X‐ray transmission similar to surrounding tissue, thereby indicating full degradation within 2 years. © 2017 The Authors. Journal of Biomedical Materials Research Part B: Applied Biomaterials published by Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 1842–1850, 2018.
Thiopurine metabolite level and toxicity in Indians with inflammatory bowel disease
Authors: Parkar Suruchi P , Dherai Alpa J , Desai Devendra C , Ashavaid Tester F
Published: September 2017

Background and Aim

A lower dose requirement and higher toxicity of thiopurine is reported in Asian patients with inflammatory bowel disease (IBD) as compared with Caucasian patients. These reports are based on thiopurine methyltransferase measurement studies rather than metabolite estimation.

We studied the utility of thiopurine metabolite estimation in Indian patients with IBD and compared dose and toxicity with Asian and Caucasian patients.

Methods

In this prospective study, 6‐thioguanine nucleotide (6‐TGN) and 6‐methylmercaptopurine levels were determined by HPLC in 76 IBD patients treated with thiopurines. The levels were correlated with dose, disease activity, and toxicity. The dose‐related metabolite levels and toxicity were compared with Caucasian and Asian patients reported in literature.

Results

Of the 76 patients (32 women, mean age: 35.9 [SD: 14.54] years, 36 Crohn's disease and 40 ulcerative colitis), 1 non‐compliant patient had undetectable level of metabolites. Of the 75 patients, 21(28%) had therapeutic level of 6‐TGN, 37(49%) had subtherapeutic level and 17(23%) had supratherapeutic level. The 6‐methylmercaptopurine levels ranged up to 4971 pmol/8 × 108 red blood cells. Six (8%) patients showed toxicity. Thiopurine dose was optimized in 20 (26.31%) patients. Dose‐based metabolite levels were comparable to Asian and Caucasian patients. The toxicity (8%) observed in our patients was less than that reported (12–39%).

Conclusion

Half of the patients in this study had low and a quarter had high 6‐TGN levels. One‐fourth of the patients needed dose modification. The dose‐based metabolite levels were comparable and the toxicity was less than that reported in Asian and Caucasian patients.
Ultrastructure of spermatozoa of spider crabs, family Mithracidae (Crustacea, Decapoda, Brachyura): Integrative analyses based on morphological and molecular data
Authors: Assugeni Camila de O. , Magalhães Tatiana , Bolaños Juan A. , Tudge Christopher C. , Mantelatto Fernando L. , Zara Fernando J.
Published: September 2017

Recent studies based on morphological and molecular data provide a new perspective concerning taxonomic aspects of the brachyuran family Mithracidae. These studies proposed a series of nominal changes and indicated that the family is actually represented by a different number and representatives of genera than previously thought. Here, we provide a comparative description of the ultrastructure of spermatozoa and spermatophores of some species of Mithracidae in a phylogenetic context. The ultrastructure of the spermatozoa and spermatophore was observed by scanning and transmission electron microscopy. The most informative morphological characters analysed were thickness of the operculum, shape of the perforatorial chamber and shape and thickness of the inner acrosomal zone. As a framework, we used a topology based on a phylogenetic analysis using mitochondrial data obtained here and from previous studies. Our results indicate that closely related species share a series of morphological characteristics of the spermatozoa. A thick operculum, for example, is a feature observed in species of the generaAmphithrax,Teleophrys, andOmalacanthain contrast to the slender operculum observed inMithraculusandMithrax.AmphithraxandTeleophryshave a rhomboid perforatorial chamber, whileMithraculus,Mithrax, andOmalacanthashow a wider, deltoid morphology. Furthermore, our results are in agreement with recently proposed taxonomic changes including the separation of the generaMithrax(previouslyDamithrax),Amphithrax(previouslyMithrax) andMithraculus, and the synonymy ofMithrax caribbaeuswithMithrax hispidus. Overall, the spermiotaxonomy of these species of Mithracidae represent a novel set of data that corroborates the most recent taxonomic revision of the family and can be used in future taxonomic and phylogenetic studies within this family.
Emotional intelligence and individual differences in affective processes underlying task‐contingent conscientiousness
Authors: Minbashian Amirali , Beckmann Nadin , Wood Robert E.
Published: September 2017

Organisational researchers have recently begun to focus on the more dynamic aspects of personality in the workplace. The present study examines individual differences in the affective processes that underlie one such dynamic construct, task‐contingent conscientiousness. Using experience sampling data collected over 3 weeks from 201 managers, we show (a) that individuals differ substantially from each other in the paths that connect task demand, positive and negative affect, and conscientious behaviour; (b) that these individual differences cohere to define person types or classes that represent meaningful differences in the extent to which task‐contingent conscientiousness is mediated affectively; and (c) that emotional intelligence increases the likelihood of membership in classes that are characterised by affectively mediated effects. Theoretical implications of the findings are discussed with reference to the cognitive‐affective personality system model, research on the consequences of affect in the workplace, and the literature on emotional intelligence. Practical applications are suggested for managers who wish to use personality assessment for developmental purposes, especially in relation to facilitating behavioural change.
Big Five Personality and Creativity: The Moderating Effect of Motivational Goal Orientation
Authors: Kaspi‐Baruch Oshrit
Published: September 2017

This study examined the association between the big five personality dimensions and creativity through the moderation of motivational goal orientation. One hundred and ninety students engaged in full‐time employment completed questionnaires, which were used to assess the variables of interest. Regression moderation analyses supported some of the expected hypotheses. The associations between the big five dimensions and creativity were moderated by learning motivational goal orientation. Individuals high in extroversion, emotional stability, and low in conscientiousness, are most creative when they are oriented toward learning. In addition, openness fully predicted creativity, without the moderation of goal orientation. The results are discussed in terms of the interactional nature of personality and goal orientation theory.
Plasticizer di(2‐ethylhexyl)phthalate interferes with osteoblastogenesis and adipogenesis in a mouse model
Authors: Chiu Chen‐Yuan , Sun Shih‐Chun , Chiang Chih‐Kang , Wang Ching‐Chia , Chan Ding‐Cheng , Chen Huang‐Jen , Liu Shing‐Hwa , Yang Rong‐Sen
Published: September 2017

Plasticizer di(2‐ethylhexyl)phthalate (DEHP) can leach from medical devices such as blood storage bags and the tubing. Recently, epidemiological studies showed that phthalate metabolites levels in the urine are associated with low bone mineral density (BMD) in older women. The detailed effect and mechanism of DEHP on osteoblastogenesis and adipogenesis, and bone loss remain to be clarified. Here, we investigated the effect and mechanism of DEHP and its active metabolite mono(2‐ethylhexyl)phthalate (MEHP) on osteoblastogenesis and adipogenesis. The in vitro study showed that osteoblast differentiation of bone marrow stromal cells (BMSCs) was significantly and dose‐dependently decreased by DEHP and MEHP (10–100 µM) without cytotoxicity to BMSCs. The mRNA expressions of alkaline phosphatase, Runx2, osteocalcin (OCN), Wnt1, and β‐catenin were significantly decreased in DEHP‐ and MEHP‐treated BMSCs during differentiation. MEHP, but not DEHP, significantly increased the adipocyte differentiation of BMSCs and PPARγ mRNA expression. Both DEHP and MEHP significantly increased the ratios of phosphorylated β‐catenin/β‐catenin and inhibited osteoblastogenesis, which could be reversed by Wnt activator lithium chloride and PPARγ inhibitor T0070907. Moreover, exposure of mice to DEHP (1, 10, and 100 mg/kg) for 8 weeks altered BMD and microstructure. In BMSCs isolated from DEHP‐treated mice, osteoblastogenesis and Runx2, Wnt1, and β‐catenin expression were decreased, but adipogenesis and PPARγ expression were increased. These findings suggest that DEHP and its metabolite MEHP exposure may inhibit osteoblastogenesis and promote adipogenesis of BMSCs through the Wnt/β‐catenin‐regulated and thus triggering bone loss. PPARγ signaling may play an important role in MEHP‐ and DEHP‐induced suppression of osteogenesis. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 36:1124–1134, 2018.
Ultrafast Material Processing with High‐Brightness Fiber Lasers
Authors: Streek André , Lee Michael
Published: September 2017

Machine tool builders demand cost reductions in many material laser processing applications like additive manufacturing, thin film ablation, surface structuring, cleaning, and foil cutting. All markets lead laser and optoelectronic component suppliers in the same way to improve the throughput as well as yield of available laser power. A feasible way of achieving cost reductions is to use existing machine components and upgrade the laser power as well as deploying advanced scanning technology in order to get five to ten times better throughput. Therefore, they improve cost per part or cost per hour massively.
The Incredible Additive Manufacturing Creates Movement
Authors: Hanreich Klaus
Published: September 2017

At a first glance, additive manufacturing seems to be a very simple manufacturing process. Nevertheless, many companies are not happy with their adaption of this new technology or are even overburdened by it. Often, we have to undisputedly agree with these companies. However, we can change their opinions straight away. The fascinating metal 3D printing nowadays even manages to print moving objects without needing assembly afterwards. Even though it seems hard to believe, it surely is possible with suitable handling and application. But has that always been this way?
Spatiotemporal distribution and microbial assimilation of polyamines in a mesotrophic lake
Authors: Krempaska Natalia , Horňák Karel , Pernthaler Jakob
Published: September 2017

We examined seasonal and spatial variations of dissolved free polyamines (DFPA) in the large mesotrophic prealpine Lake Zurich (Switzerland). An ion‐pairing liquid chromatography method with mass spectrometric detection was optimized for the quantification of DFPA without prior concentration or derivatization. Total DFPA concentrations varied between 0.4 nM and 11 nM in winter and spring of 2015, respectively. Polyamine concentrations were highest in the epilimnion during the phytoplankton growth phase, and reflected occurrence patterns of diatoms. Putrescine consistently dominated the DFPA pool throughout the season whereas norspermidine was detected only once in spring. Incubations with 13C‐labeled putrescine revealed concentration‐dependent uptake rates (3.2–5 nM h−1) and short turnover times (2.4–4.4 h). In contrast, incorporation rates into biomass measured with 14C‐labeled putrescine were substantially lower (0.9 nM h−1), indicating that this compound was predominantly respired. Uptake kinetics moreover suggested that putrescine in situ uptake rates were limited by low ambient concentrations. Competition assays revealed that putrescine uptake could only be inhibited by excess concentrations of another polyamine (spermidine), but not by amino acids. Bacteria affiliated with Limnohabitans and the acI lineage of Actinobacteria were identified as the taxa with the highest fraction (25–32%) of putrescine‐incorporating cells. This compound was also utilized by Alphaproteobacteria, Cyclobacteriaceae, diatoms, and cyanobacteria. Overall, our data point to fast turnover of putrescine by different microorganisms, implying the importance of this substrate as an attractive energy source.
LEADERS AS PARADOX NAVIGATORS
Authors: Ulrich Dave , Kryscynski David , Ulrich Michael , Brockbank Wayne
Published: September 2017

Leadership can seem confusing and complex because there aren't easy answers much of the time, and we must confront polarities. Ulrich and his co‐authors present a table of six stages of paradox management, beginning with ignorance and denial and ending with making small adjustments and transcending paradox. That final stage can be attained by methods such as seeing others' points of view, defining best outcomes, and finding common ground. They believe that “the first step is to recognize the importance of paradox in being an effective leader, then to assess both the stage of organization and skills of individual leaders in navigating paradox.”
Poly(vinylidene fluoride‐co‐chlorotrifluoroethylene) Modification via Organocatalyzed Atom Transfer Radical Polymerization
Authors: Hu Xin , Zhang Yajun , Cui Guopeng , Zhu Ning , Guo Kai
Published: September 2017

To address the challenge of metal contamination, a “graft from” approach via organocatalyzed atom transfer radical polymerization (O‐ATRP) is developed to synthesize poly(vinylidene fluoride‐co‐chlorotrifluoroethylene) (P(VDF‐co‐CTFE)) graft copolymers. N‐phenylphenothiazine is utilized as a model organic photoredox catalyst for catalyzing the (co)polymerization of methyl methacrylate (MMA), methacrylate (MA), and n‐butyl acrylate (BA). By employing this technique, high temporal control of polymerization and graft content are achieved. A series of P(VDF‐co‐CTFE)‐g‐PMMA, P(VDF‐co‐CTFE)‐g‐PMA, and P(VDF‐co‐CTFE)‐g‐PBA is prepared under mild conditions. The resultant graft copolymer can be used as macroinitiator to re‐initiate O‐ATRP to synthesize P(VDF‐co‐CTFE)‐g‐(PMMA‐b‐PMA), which might exhibit the potential application as novel dielectric material.
Evaluation of several soft computing methods in monthly evapotranspiration modelling
Authors: Gavili Siavash , Sanikhani Hadi , Kisi Ozgur , Mahmoudi Mohammad Hasan
Published: September 2017

Evapotranspiration assessment is one of the most substantial issues in hydrology. The methods used in modelling reference evapotranspiration (ET0) consist of empirical equations or complex methods based on physical processes. In arid and semi‐arid climates, determining the amount of evapotranspiration has a major role in the design of irrigation systems, irrigation network management, planning and management of water resources and water management issues in the agricultural sector. This paper presents a case study of five meteorological stations located in Kurdistan province in the west of Iran. The ability of three different soft computing methods, an artificial neural network (ANN), an adaptive neuro‐fuzzy inference system (ANFIS) and gene expression programming (GEP), were compared for modelling ET0 in this study. The FAO56 Penman−Monteith model was considered as a reference model and soft computing models were compared using the Priestley−Taylor, Hargreaves, Hargreaves−Samani, Makkink and Makkink−Hansen empirical methods, with respect to the determination co‐efficient, the root mean square error, the mean absolute error and the Nash–Sutcliffe model efficiency co‐efficient. Soft computing models were superior to the empirical methods in modelling ET0. Among the soft computing methods, the ANN was found to be better than the ANFIS and GEP.
Integrating prior information into microwave tomography part 2: Impact of errors in prior information on microwave tomography image quality
Authors: Kurrant Douglas , Fear Elise , Baran Anastasia , LoVetri Joe
Published: September 2017

Purpose

The authors have developed a method to combine a patient‐specific map of tissue structure and average dielectric properties with microwave tomography. The patient‐specific map is acquired with radar‐based techniques and serves as prior information for microwave tomography. The impact that the degree of structural detail included in this prior information has on image quality was reported in a previous investigation. The aim of the present study is to extend this previous work by identifying and quantifying the impact that errors in the prior information have on image quality, including the reconstruction of internal structures and lesions embedded in fibroglandular tissue. This study also extends the work of others reported in literature by emulating a clinical setting with a set of experiments that incorporate heterogeneity into both the breast interior and glandular region, as well as prior information related to both fat and glandular structures.

Methods

Patient‐specific structural information is acquired using radar‐based methods that form a regional map of the breast. Errors are introduced to create a discrepancy in the geometry and electrical properties between the regional map and the model used to generate the data. This permits the impact that errors in the prior information have on image quality to be evaluated. Image quality is quantitatively assessed by measuring the ability of the algorithm to reconstruct both internal structures and lesions embedded in fibroglandular tissue. The study is conducted using both 2D and 3D numerical breast models constructed from MRI scans.

Results

The reconstruction results demonstrate robustness of the method relative to errors in the dielectric properties of the background regional map, and to misalignment errors. These errors do not significantly influence the reconstruction accuracy of the underlying structures, or the ability of the algorithm to reconstruct malignant tissue. Although misalignment errors do not significantly impact the quality of the reconstructed fat and glandular structures for the 3D scenarios, the dielectric properties are reconstructed less accurately within the glandular structure for these cases relative to the 2D cases. However, general agreement between the 2D and 3D results was found.

Conclusion

A key contribution of this paper is the detailed analysis of the impact of prior information errors on the reconstruction accuracy and ability to detect tumors. The results support the utility of acquiring patient‐specific information with radar‐based techniques and incorporating this information into MWT. The method is robust to errors in the dielectric properties of the background regional map, and to misalignment errors. Completion of this analysis is an important step toward developing the method into a practical diagnostic tool.
A review of NMR methods used in the study of the structure and dynamics of ionic liquids
Authors: Nanda R. , Damodaran Krishnan
Published: September 2017

Recently, NMR spectroscopy has been emerging out as a powerful tool to study the structure and dynamics of ionic liquids (ILs) and ILs‐Li+ salt mixtures. This mini‐review primarily focuses on the applications of various NMR spectroscopic techniques such as self‐diffusion measurements, NMR relaxometry, two‐dimensional NMR, and other novel NMR approaches to study the structure and dynamics of ILs and its mixtures with lithium salts. Copyright © 2017 John Wiley & Sons, Ltd.
Metabolic assessment of a migraine model using relaxation‐enhanced 1H spectroscopy at ultrahigh field
Authors: Abad Nastaren , Rosenberg Jens T. , Roussel Tangi , Grice Dillon C. , Harrington Michael G. , Grant Samuel C.
Published: September 2017

Purpose

This study evaluates biochemical imbalances in a rat model that reflects dysfunctional pathways in migraine. The high sensitivity and spectral dispersion available to 1H MRS at 21.1 T expands metabolic profiling in this migraine model to include lactate (Lac), taurine (Tau), aspartate, and Gly—a mixture of glycine, glutamine, and glutamate.

Methods

Sprague‐Dawley male rats were administered in situ an intraperitoneal injection of nitroglycerin (NTG) to induce the migraine analogue or saline as a control. A selective relaxation‐enhanced MR spectroscopy sequence was used to target upfield metabolites from a 4‐mm3 voxel for 2.5 h after injection.

Results

Significant increases were evident for Lac as early as 10 min after NTG injection, peaking over 50% compared with baseline and control (normalized Lac/N‐acetyl aspartate with NTG = 1.54 ± 0.65 versus with saline = 0.99 ± 0.08). Tau decreased progressively in controls over 2 h after injection, but remained elevated with NTG, peaking at 105 min after injection (normalized Tau/N‐acetyl aspartate with NTG = 1.10 ± 0.18 versus with saline = 0.85 ± 0.14). Total creatine under NTG showed significant decreases with time and compared with saline; Gly demonstrated temporal increases for NTG.

Conclusions

These changes indicate an altered metabolic profile in the migraine analogue consistent with early changes in neural activity and/or vasodilation consistent with progressively enhanced neuroprotection and osmoregulation. Magn Reson Med 79:1266–1275, 2018. © 2017 International Society for Magnetic Resonance in Medicine.
An experimental method for characterizing unsaturated 1D flow in tubular braided preforms during bladder‐assisted resin transfer molding
Authors: Schillfahrt Christian , Fauster Ewald , Schledjewski Ralf
Published: September 2017

The work presented in this paper addresses the development of an efficient approach to investigate the unsaturated in‐plane impregnation behavior of tubular braided reinforcement materials in a bladder‐assisted resin transfer molding process. The basic idea is to record the macroscopic flow front advancement during a pressure‐driven injection of a test fluid by using a transparent monolithic mold and optical measurement methods. The experimental setup further comprises sophisticated process control to accomplish a fully automated and highly repeatable test procedure. As the filling behavior of the braided fabrics predominantly shows unidirectional characteristics, the so‐called unsaturated apparent permeability of these textile reinforcements can be determined, which can be used as an input parameter in one‐dimensional flow simulations. A verification of the test setup is accomplished by means of saturation measurements on different braided preforms, which are compared with predicted flow front profiles. POLYM. COMPOS., 39:4666–4677, 2018. © 2017 Society of Plastics Engineers
Analysis of the electrical conduction in percolative nanocomposites based on castor‐oil polyurethane with carbon black and activated carbon nanopowder
Authors: Rebeque Paulo Vinícius , Silva Michael Jones , Cena Cicero Rafael , Nagashima Haroldo Naoyuki , Malmonge José Antônio , Kanda Darcy Hiroe Fujii
Published: September 2017

Flexible nanocomposite films derived from castor‐oil polyurethane (PUR) and conductive fillers of activated carbon nanopowder (CNP) and carbon black (CB) nanoparticles were prepared by casting and characterized by scanning electron microscopy (SEM) as well as direct (dc) and alternate current (ac) electrical conductivity measurements. The fillers exhibited spherical morphology with diameters ranging between 40 and 60 nm. Compared to CNP, CB was dispersed better in the matrix. Based on the classical percolation theory, different universal exponents were obtained from the conductivity curve analysis. The PUR/CNP nanocomposite obeyed the universal percolation theory, while the PUR/CB nanocomposite did not obey it. The PUR/CNP nanocomposites exhibited a higher percolation threshold (pc = 29.3 vol%) and lower dc conductivity compared to PUR/CB nanocomposites (pc = 5.7 vol%). This difference is related to the physics and chemical characteristics of the CNP and CB filler dispersed in the matrix. The ac conductivity of the nanocomposites was described by the Jonscher power law confirmed that conduction occurs through a hopping mechanism between localized hopping. POLYM. COMPOS., 40:7–15, 2019. © 2017 Society of Plastics Engineers
Exploring the influence of acceptor content on semi‐random conjugated polymers
Authors: Ekiz Seyma , Gobalasingham Nemal S. , Thompson Barry C.
Published: September 2017

A family of diketopyrrolopyrrole (DPP)‐incorporated P3HT based semi‐random copolymers was synthesized and their optical, electronic and photovoltaic properties were investigated. For the first time, the influence of acceptor content on semi‐random copolymers was explored in the broad range of 10–40% acceptor. A mixture of DPP acceptor units with different side chains (ethylhexyl and decyltetradecyl) was incorporated into each copolymer to improve solubility and film quality. Increased DPP content in the polymer backbone resulted in broadened absorption between 350 and 900 nm, resulting in a monotonic decrease in optical band gap (Eg) of the polymers from 1.49 to 1.37 eV. Highest occupied molecular orbital (HOMO) energy levels showed an increase from 10% DPP to 20–30% DPP, while decreasing for 40% DPP. Voc values followed a consistent trend with HOMO energy levels. Semi‐random copolymers showed significantly improved photovoltaic properties compared with P3HT. Bulk heterojunction solar cells fabricated from the semi‐random copolymers blended with PC61BM exhibited high short‐circuit current densities (Jsc) up to 10.29 mA/cm2 and efficiencies up to 4.43%. A new method of methanol treatment was developed and applied to the semi‐random copolymers resulting in high fill factors approaching 0.70 under ambient conditions. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 3884–3892
Mitigating chain‐transfer and enhancing the thermal stability of co‐based olefin polymerization catalysts through sterically demanding ligands
Authors: Mitchell Nolan E. , Anderson W. Curtis , Long Brian K.
Published: September 2017

Sterically demanding Fe‐ and Co‐based olefin polymerization catalysts 2‐Fe and 2‐Co bearing 2,6‐bis(biphenylmethyl)‐4‐methylaniline substituted bis(imino)pyridine ligands were synthesized and evaluated for ethylene polymerization. The late‐transition metal complexes were characterized by X‐ray diffraction, NMR spectroscopy, and HRMS, while their resultant polymers were characterized by size‐exclusion chromatography and 1H NMR spectroscopy. While catalyst 2‐Fe was inactive, catalyst 2‐Co was found to polymerize ethylene and avoid any detectable chain‐transfer to aluminum events that are known to plague other Fe‐ and Co‐based catalyst systems and to limit molecular weight. Furthermore, 2‐Co displays virtually perfect thermal stability up to 80 °C and shows greatly enhanced thermal stability at 90 °C as compared to previously reported analogues. These observations are attributed to the extreme steric demand imposed by the ligand which mitigates catalyst transfer, deactivation, and decomposition reactions. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 3990–3995
Estimate your dose: RADDOSE‐3D
Authors: Bury Charles S. , Brooks‐Bartlett Jonathan C. , Walsh Steven P. , Garman Elspeth F.
Published: September 2017

We present the current status of RADDOSE‐3D, a software tool allowing the estimation of the dose absorbed in a macromolecular crystallography diffraction experiment. The code allows a temporal and spatial dose contour map to be calculated for a crystal of any geometry and size as it is rotated in an X‐ray beam, and gives several summary dose values: among them diffraction weighted dose. This allows experimenters to plan data collections which will minimize radiation damage effects by spreading the absorbed dose more homogeneously, and thus to optimize the use of their crystals. It also allows quantitative comparisons between different radiation damage studies, giving a universal “x‐axis” against which to plot various metrics.
Exact Eigenstates of the Hubbard Model Independent of the On‐Site Electron Interaction
Authors: Ye Ming‐Yong , Lin Xiu‐Min
Published: September 2017

Two‐dimensional Hubbard model is important to understand the high temperature superconductivity. We give several methods to construct exact eigenstates of the two‐dimensional Hubbard model that are independent of the on‐site electron interaction. The number of electrons in some eigenstates can be of the order of the lattice sites. It is shown that the existence of eigenstates independent of the electron interactions is a common feature of the extended Hubbard models that have short‐range interactions, and some eigenstates we construct can be used to represent eigenstates of the two‐dimensional Bose–Hubbard model.
Thermoelectric Properties of the XCoSb (X: Ti,Zr,Hf) Half‐Heusler alloys
Authors: Gandi Appala Naidu , Schwingenschlögl Udo
Published: September 2017

We investigate the thermoelectric properties of the half‐Heusler alloys XCoSb (X: Ti,Zr,Hf) by solving Boltzmann transport equations and discuss them in terms of the electronic band structure. The rigid band approximation is employed to address the effects of doping. While many half‐Heuser alloys show excellent thermoelectric performance, the materials under study are special by supporting both n‐ and p‐doping. We identify the reasons for this balanced thermoelectric transport and explain why experimentally p‐doping is superior to n‐doping. We also determine the spectrum of phonon mean free paths to guide grain refinement methods to enhance the thermoelectric figure of merit.
Anti‐Obesity Activity of Saringosterol Isolated from Sargassum muticum (Yendo) Fensholt Extract in 3T3‐L1 Cells
Authors: Lee Jung A , Cho Young‐Rak , Hong Seong Su , Ahn Eun‐Kyung
Published: September 2017

Saringosterol, a steroid isolated from Sargassum muticum, a brown edible alga widely distributed on the seashores of southern and eastern Korea, has been shown to exhibit anti‐obesity effect. In this study, we investigated the anti‐obesity activity of saringosterol through various experiments. The inhibitory effect of saringosterol on adipogenesis was evaluated via Oil Red O staining in 3T3‐L1 preadipocytes. After confirming that saringosterol is not cytotoxic to these cells by using the 3‐[4,5‐dimethylthiazol‐2‐yl]‐2,5‐diphenyltetrazolium bromide assay, the effect of saringosterol on the expression of various adipogenesis‐related genes was analyzed via quantitative real‐time polymerase chain reaction and western blotting. We demonstrated that saringosterol dose dependently inhibited adipocyte differentiation and expression of adipogenic marker genes such as adipocyte fatty acid‐binding protein, adiponectin, resistin, and fatty acid synthase in 3T3‐L1 cells. In addition, saringosterol significantly inhibited the mRNA and protein expression of peroxisome proliferator‐activated receptor γ and CCAAT enhancer‐binding protein α in 3T3‐L1 cells. Collectively, these findings indicate that saringosterol isolated from S. muticum exhibits anti‐obesity effect by inhibiting the expression of adipogenic transcription factors and marker genes and that it may be developed as a drug to suppress adipogenesis. Copyright © 2017 John Wiley & Sons, Ltd.
Chebulinic Acid Isolated From the Fruits of Terminalia chebula Specifically Induces Apoptosis in Acute Myeloid Leukemia Cells
Authors: Chhabra Stuti , Mishra Tripti , Kumar Yogesh , Thacker Gatha , Kanojiya Sanjeev , Chattopadhyay Naibedya , Narender Tadigoppula , Trivedi Arun Kumar
Published: September 2017

Chebulinic acid, an ellagitannin found in the fruits of Terminalia chebula, has been extensively used in traditional Indian system of medicine. It has shown to have various biological activities including antitumor activity. The present study aims to investigate the cytotoxic potential of chebulinic acid in human myeloid leukemia cells. Interestingly, chebulinic acid caused apoptosis of acute promyelocytic leukemia HL‐60 and NB4 cells but not K562 cells. In vitro antitumor effects of chebulinic acid were investigated by using various acute myeloid leukemia cell lines. Chebulinic acid treatment to HL‐60 and NB4 cells induced caspase activation, cleavage of poly(ADP‐ribose) polymerase, DNA fragmentation, chromatin condensation, and changes in the mitochondrial membrane permeability. Additionally, inhibition of caspase activation drastically reduced the chebulinic acid‐induced apoptosis of acute promyelocytic leukemia cells. Our data also demonstrate that chebulinic acid‐induced apoptosis in HL‐60 and NB4 cells involves activation of extracellular signal‐regulated kinases, which, when inhibited with ERK inhibitor PD98059, mitigates the chebulinic acid‐induced apoptosis. Taken together, our findings exhibit the selective potentiation of chebulinic acid‐induced apoptosis in acute promyelocytic leukemia cells. Copyright © 2017 John Wiley & Sons, Ltd.
Adaptive synchronization control design for flexible telerobotics with actuator fault and input saturation
Authors: Yang Y. , Li J. , Hua C. , Guan X.
Published: September 2017

This paper addresses the synchronization control problem of flexible telerobotics with actuator fault, input saturation, and asymmetrical time‐varying delays. A new adaptive antisaturation nonlinear fractional power proportional+damping fault‐tolerant control scheme is designed. With the new control algorithm, faster convergence rate and higher convergence precision can be guaranteed, as compared with the general proportion+damping control method. By choosing Lyapunov‐Krasovskii functional, it shows that the teleoperation system is stable under specific linear matrix inequality conditions. Thus, the allowable maximal transmission delay can be computed with the given controller‐design parameters. To validate the effectiveness of the proposed method, simulations on synchronization control system composed of 2 manipulators (master is rigid, and slave is flexible) are developed. Experiments on the PHANToM Premium 1.5A manipulators are also conducted and numerous experimental results are presented to show the superior performance of the proposed control scheme.
Circular‐circular regression model with a spike at zero
Authors: Jha Jayant , Biswas Atanu
Published: September 2017

With reference to a real data on cataract surgery, we discuss the problem of zero‐inflated circular‐circular regression when both covariate and response are circular random variables and a large proportion of the responses are zeros. The regression model is proposed, and the estimation procedure for the parameters is discussed. Some relevant test procedures are also suggested. Simulation studies and real data analysis are performed to illustrate the applicability of the model.
Effects of Carbon Content on the Lithium‐Storage Properties of MoSe2‐C Nanocomposites
Authors: Wu Laidi , Tan Pengfei , Liu Yi , Xiong Xiang , Pan Jun
Published: September 2017

MoSe2 has the genuine potential as anode material for lithium‐ion batteries, benefiting from its layered structure, large interlayer space and high specific capacity. In this work, we achieve the controllable and in‐situ synthesis of MoSe2‐C nanocomposites and investigating the dimensional effects (grain size, interlayer distance, and slabs of stacking in number) of carbon content on the MoSe2‐C hybrid material. The optimized anode MoSe2‐15.0%C delivers prominent cycling performance (a high reversible capacity of 1165 mAh g−1 after 150 cycles at 0.2 A g−1 and 860 mAh g−1 after 150 cycles at 1 A g−1) and compelling rate behavior (734 mAh g−1 even at a current density of as high as 10 A g−1). The above elucidates that the modest carbon layer not only guarantee the integrity of the electrode by avoiding the structure collapse, but also elevate the electric conductivity to supply quick discharging and charging. The outstanding electrochemical performance is attributed to the synergistic effect between MoSe2 and the carbon. Hence, MoSe2‐C nanocomposites could be deemed as promising anode materials in lithium‐ion batteries.