bluuebunny/crossref_metadata_2025 huggingface dataset:
Compatibilization of starch/poly(butylene adipate‐co‐terephthalate) blown films using itaconic acid and sodium hypophosphite
Authors: Garcia Patrícia S. , Baron Alessandra M. , Yamashita Fabio , Mali Suzana , Eiras Daniel , Grossmann Maria Victoria E.
Published: May 2018

Itaconic acid (IA) has potential as a compatibilizing agent in polymeric blends due to its unique chemical characteristics. Sodium hypophosphite (SHP) has been studied as a catalyst in esterifying reactions using multicarboxylic acids. Starch/poly(butylene adipate‐co‐terephthalate) blown films containing IA, with and without SHP, were produced. The film containing IA presented higher tensile strength (8.166 MPa) and elongation (891.473%) than the control film (5.548 MPa and 487.637%, respectively). When SHP was added (sample IA‐SHP), tensile strength increased even more (9.215 MPa); however, elongation (636.821%) was lower than in the IA film. This behavior was attributed to crosslinking between two starch itaconoate molecules intermediated by SHP. The increase in the compatibility between the polymeric phases justified the lower permeability to water vapor of the IA‐SHP films and was responsible for the production of films with a more compact and homogeneous structure. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46629.
Synchronous curable deoxidizing capability of epoxy–anhydride adhesive: Deoxidation quantification via spectroscopic analysis
Authors: Jang Keon‐Soo , Eom Yong‐Sung , Choi Kwang‐Seong , Bae Hyun‐Cheol
Published: May 2018

Thermoset resins have been extensively utilized as an adhesive for electronic devices. In particular, semiconductor packaging materials between chips/substrates require electrical interconnections by using deoxidizing agents along with thermoset adhesives. In this study, a facile combination of hydroxyl‐functionalized epoxy and cyclohexane‐structured cyclic anhydrides produced curable acidic moieties, thereby allowing synchronous deoxidizing and curing without the use of a deoxidizing agent. By contrast, unitary cyclic anhydrides rarely presented acidic moieties, probably due to their rapid networkable reactivity caused by structural flexibility once opened, which was detected and quantified by spectroscopic analyses. This binary system in the absence of additional deoxidizing agents achieved the complete wetting of common Sn‐based solders via chip bonding systems due to the generated acidic moieties. The binary mixture also showed an increased glass transition temperature of 110 °C and enhanced Young's modulus of 1.6 GPa, relative to the ternary mixture (85 °C and 0.8 GPa) comprising a deoxidizing agent. This discovery is beneficial in terms of the simplification of composition design and mechanical robustness of solderable adhesives. Quantification via spectroscopic studies can also help anticipate the deoxidizing capability of binary and ternary systems at different temperatures for various bondable and solderable applications. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46639.
Design, synthesis, and antitumor evaluation of quinoline‐imidazole derivatives
Authors: Xiao Zhen , Lei Fei , Chen Xiuying , Wang Xiaolei , Cao Lujie , Ye Kejun , Zhu Wufu , Xu Shan
Published: May 2018

A series of compounds bearing quinoline‐imidazole (8a–e, 9a–e, 10a–e, 11a–e, and 12a–e) not reported previously were designed and synthesized. The target compounds were evaluated for antitumor activity against A549, PC‐3, HepG2, and MCF‐7 cells by the MTT method, with NVP‐BEZ235 being the positive control. Most compounds showed moderate activity and compound 12a showed the best activity against HepG2, A549, and PC‐3 cells, with half‐maximal inhibitory concentration (IC50) values of 2.42 ± 1.02 µM, 6.29 ± 0.99 µM, and 5.11 ± 1.00 µM, respectively, which was equal to NVP‐BEZ235 (0.54 ± 0.13 µM, 0.36 ± 0.06 µM, 0.20 ± 0.01 µM). Besides, the IC50 value of 12a against the cell line WI‐38 (human fetal lung fibroblasts) was 32.8 ± 1.23 µM, indicating that the target compounds were selective for cancer cells. So, 11a and 12a were evaluated against PI3Kα and mTOR to find out if the compounds acted through the PI3K‐Akt‐mTOR signal transduction pathway. The inhibition ratios to PI3Kα and mTOR were slightly lower than that of NVP‐BEZ235, suggesting there may be some other mechanisms of action. The structure–activity relationships and docking study of 11a and 12a revealed that the latter was superior. Moreover, the target compounds showed better in vitro anticancer activity when the C‐6 of the quinoline ring was replaced by a bromine atom.
Synthesis of substituted fluorobenzimidazoles as inhibitors of 5‐lipoxygenase and soluble epoxide hydrolase for anti‐inflammatory activity
Authors: Nandha B. , Ramareddy Sureshbabu A. , Kuntal Hazra
Published: May 2018

A new series of 4‐((5‐fluoro‐6‐(substituted)‐1H‐benzo[d]imidazol‐2‐ylthio)methyl)‐benzoic acids 4a–o and 2‐(5‐fluoro‐6‐(substituted)‐1H‐benzo[d]imidazol‐2‐ylthio)‐2‐methylpropanoic acids 8a–e were synthesized, and their inhibitory potencies against soluble epoxide hydrolase (sEH) and 5‐lipoxygenase (5‐LOX) were investigated. These molecules were designed based on the combination of 5‐LOX and sEH pharmacophores, resulting in hybrid analogs with potent sEH and 5‐LOX inhibitory activity. Compound 4g showed remarkable activity with IC50 values of less than 1 μM (0.9 μM) against 5‐LOX, while compound 4k displayed promising activity against sEH with IC50 ≤ 1 μM (0.7 μM). These compounds were evaluated for their in vivo potential using the carrageenan‐induced rat paw edema assay. Based on the obtained results, the structure–activity relationship was established and a correlation between the activities was observed. Compounds 4f, 4g, 4k, 4n, and 8e showed potent anti‐inflammatory activity and significant inhibition of edema (64.13, 67.39, 66.30, 65.21, and 58.69%, respectively) at a dose of 100 mg/kg, comparable to the standard drug ibuprofen (70.65%) at 3 h.
Lysophosphatidic Acid Receptor 1 Antagonist SAR100842 for Patients With Diffuse Cutaneous Systemic Sclerosis
Authors: Allanore Yannick , Distler Oliver , Jagerschmidt Alexandre , Illiano Stephane , Ledein Laetitia , Boitier Eric , Agueusop Inoncent , Denton Christopher P. , Khanna Dinesh
Published: May 2018

Objective

Preclinical studies suggest a role for lysophosphatidic acid (LPA) in the pathogenesis of systemic sclerosis (SSc). We undertook this study to assess SAR100842, a potent selective oral antagonist of the LPA1 receptor, for safety, biomarkers, and clinical efficacy in patients with diffuse cutaneous SSc (dcSSc).

Methods

An 8‐week double‐blind, randomized, placebo‐controlled study followed by a 16‐week open‐label extension with SAR100842 was performed in patients with early dcSSc who had a baseline modified Rodnan skin thickness score (MRSS) of at least 15. The primary end point was safety during the double‐blind phase of the trial. Exploratory end points included the identification of an LPA‐induced gene signature in patients’ skin.

Results

Seventeen of 32 patients were randomly assigned to receive placebo and 15 to receive SAR100842; 30 patients participated in the open‐label extension study. The most frequent adverse events reported for SAR100842 during the blinded phase were headache, diarrhea, nausea, and falling, and the safety profile was acceptable during the open‐label extension. At week 8, the reduction in MRSS was numerically greater in the SAR100842 group than in the placebo group (mean ± SD change −3.57 ± 4.18 versus −2.76 ± 4.85; treatment effect −1.2 [95% confidence interval −4.37, 2.02]; P = 0.46). A greater reduction of LPA‐related genes was observed in skin samples from the SAR100842 group at week 8, indicating LPA1 target engagement.

Conclusion

SAR100842, a selective orally available LPA1 receptor antagonist, was well tolerated in patients with dcSSc. The MRSS improved during the study although the difference was not significant, and additional gene signature analysis suggested target engagement. These results need to be confirmed in a larger controlled trial.
Average Consensus for Multi‐Agent System with Measurement Noise and Binary‐Valued Communication
Authors: Wang Ximei , Wang Ting , Xu Changbao , Zhao Yanlong
Published: May 2018

This paper considers the average consensus problems of a class of multi‐agent systems (MAS) with binary‐valued communication. Each agent can only obtain its neighbor's binary‐valued information under measurement noise because of limited bandwidth in communication channels. To seek consensus, we propose a two‐scale multi‐agent consensus algorithm with distributed strategy by combining state estimation and control design alternately. An exponential step size is chosen in the state estimation process and the estimation method can be proved to be asymptotically efficient. Additionally, by utilizing a distributed control law designed based on the estimates of the neighbors' states with a constant gain, we further prove that the proposed average consensus algorithm is convergent. Furthermore, the proposed average consensus algorithm is given and proved. Finally, some simulation results, which illustrate the effectiveness of the obtained results, are also given in the paper.
Water Utility Drought Tracking in Northern Climates
Authors: Strombeck Jacob D. , Jungwirth Scott , Erickson Matthew G.
Published: May 2018

These drought monitoring and drought management planning approaches can support any water utility in any geographic region to track, plan, implement, and successfully communicate an effective drought response.
Network correlation analysis revealed potential new mechanisms for neural tube defects beyond folic acid
Authors: Gao Xiaoya , Finnell Richard H. , Wang Hongyan , Zheng Yufang
Published: May 2018

Background

Neural tube defects (NTDs) are clinically significant congenital malformations which are known to be folic acid (FA) responsive, such that supplementation significantly reduces the prevalence of NTDs. Nonetheless, some individuals fail to respond to FA supplementation; hence NTDs remain a significant public health concern. The mechanisms that underlie the beneficial effects of FA supplementation remain poorly understood. Mouse models have been used extensively to study the mechanisms driving neural tube closure (NTC).

Methods

Microarray data of GSE51285 was downloaded from the NCBI GEO database, which contains the RNA expression profiles of livers from five NTD mouse mutants (heterozygous females) and their corresponding wildtype (WT) controls. Those five NTD mutants have different responsiveness to FA supplementation. The differentially expressed genes (DEGs) between NTD heterozygous and WT mice, as well as the DEGs between FA‐responsive and FA‐resistant mutants were carefully examined. Weighted gene correlation network analysis (WGCNA) was performed in order to identify genes with high correlations to either FA responsiveness or NTDs, respectively.

Results

In total, we identified 18 genes related to the pathogenesis of NTDs, as well as 55 genes related to FA responsiveness. Eight more candidate genes (Abcc3, Gsr, Gclc, Mthfd1, Gart, Bche, Slc25a32, and Slc44a2) were identified by examining the DEGs of those genes involved in the extended folate metabolic pathway between FA‐responsive and FA‐resistant mutants.

Conclusions

Those genes are involved in mitochondrial choline metabolism, de novo purine synthesis, and glutathione generation, suggesting that formate, choline, and manipulating antioxidant levels may be effective interventions in FA‐resistant NTDs.
Dietary α‐cyclodextrin modifies gut microbiota and reduces fat accumulation in high‐fat‐diet‐fed obese mice
Authors: Nihei Nanako , Okamoto Hinako , Furune Takahiro , Ikuta Naoko , Sasaki Kengo , Rimbach Gerald , Yoshikawa Yutaka , Terao Keiji
Published: May 2018

We investigated the effect of α‐cyclodextrin (α‐CD) on the bacterial populations of gut microbiota, production of organic acids, and short‐chain fatty acids (SCFAs), and lipid metabolism in obese mice induced by feeding a high‐fat diet (HFD). Male C57BL/6J mice were assigned to three diet groups: normal diet (ND) (5% [w/w] fat), HFD (35% [w/w] fat), and HFD (35% [w/w] fat) + 5.5% (w/w) α‐CD for 16 weeks. Increases in body and epididymal adipose tissue weights were observed in the HFD group compared with the ND group, which were attenuated in the HFD+α‐CD group. The supplementation of α‐CD increased the total number of bacteria, Bacteroides, Bifidobacterium, and Lactobacillus that were decreased in gut microbiota of mice by feeding the HFD. Importantly, α‐CD administration increased the concentrations of lactic acid and SCFAs, such as acetic, propionic, and butyric acids, and decreased glucose concentrations in cecal contents. Furthermore, supplementation of α‐CD upregulated the gene expression of peroxisome proliferator‐activated receptor (PPAR)γ involved in adipocyte differentiation and PPARα involved in energy expenditure and downregulated that of sterol regulatory element‐binding protein‐1c (SREBP‐1c) and fatty acid synthase involved in fatty acid and triglyceride synthesis in adipose tissue. This study revealed that the alteration in gut microbiota and increased production of lactic acid and SCFAs by supplementation of α‐CD have beneficial antiobesity effects via modulating the expression of genes related to lipid metabolism, indicating a prebiotic property of α‐CD. © 2018 BioFactors, 44(4):336–347, 2018
The handedness of Michelangelo Buonarroti
Authors: Lazzeri Davide
Published: May 2018

The handedness of Michelangelo Buonarroti (1475–1564), one of the greatest artists of all time, is still controversial. Although there is no doubt that almost all of his well‐attributed drawings were drawn with the right hand, the hatch marks of the shading going downward from right to left; it has been often neglected in the literature that he was an innate left‐hander. An unfairly unknown autobiography of Raffaello da Montelupo stated that Michelangelo, a natural left‐hander, trained himself from a young age to become right‐handed. The same biography also underlined that Michelangelo restricted the use of his left hand only to works requiring force such as hammering, carving, and chiseling marble. The sign of the wooden crucifix donated to Santo Spirito in 1492 and two autographic sketches by Michelangelo—one left alongside a poem in 1509, and the other in the dress of the Vittoria Colonna sketch in 1525—are useful tools for analyzing the artist's evolution from left to right handedness when drawing, writing, and painting. Clin. Anat. 31:645–647, 2018. © 2018 Wiley Periodicals, Inc.
Profiling the Nucleobase and Structure Selectivity of Anticancer Drugs and other DNA Alkylating Agents by RNA Sequencing
Authors: Sauter Basilius , Gillingham Dennis
Published: May 2018

Drugs that covalently modify DNA are components of most chemotherapy regimens, often serving as first‐line treatments. Classically, the reactivity and selectivity of DNA alkylating agents has been determined in vitro with short oligonucleotides. A statistically sound analysis of sequence preferences of alkylating agents is untenable with serial analysis methods because of the combinatorial explosion of sequence possibilities. Next‐generation sequencing (NGS) is ideally suited for the broad characterization of sequence or structure selectivities because it analyzes many sequences at once. Herein, NGS is used to report on the chemoselectivity of alkylating agents on RNA and this technology is applied to the previously uncharacterized alkylating agent trimethylsilyl diazomethane.
Photoredox Reactions of Quinones
Authors: Ando Yoshio , Suzuki Keisuke
Published: May 2018

Photoredox reactions of quinones are reviewed, that enable C−H bond oxidation at the vicinity of the excited quinone carbonyl and concomitant reduction of the quinone under photoirradiation. Mechanistic insights on the benzo‐, naphtho‐, and anthraquinones are discussed. Also the potential utilities in organic synthesis are described.
Squalene‐Hopene Cyclase: Mechanistic Insights into the Polycyclization Cascades of Squalene Analogs Bearing Ethyl and Hydroxymethyl Groups at the C‐2 and C‐23 Positions
Authors: Kaneko Ikki , Terasawa Yuri , Hoshino Tsutomu
Published: May 2018

Squalene‐hopene cyclase (SHC) catalyzes the conversion of squalene 1 into 6,6,6,6,5‐fused pentacyclic hopene 2 and hopanol 3. To elucidate the binding sites for the terminal positions of 1, four analogs, having the larger ethyl (Et) and the hydrophilic CH2OH groups at the 23E or 23Z positions of 1, were incubated with SHC. The analog with the Et group at the 23E position (23E‐Et‐1) yielded two tetra‐ and three pentacyclic products; however, the analog possessing the Et group at the 23Z position (23Z‐Et‐1) gave two hopene homologs and the neohopane skeleton, but no hopanol homologs. Hopene homolog (C31) was generated from 23E‐Et‐1 by deprotonation from 23Z‐Me (normal cyclization cascade). Intriguingly, the same homolog was also generated from the geometrical isomer 23Z‐Et‐1, indicating C−C bond rotation about the C‐21−C‐22 axis of the hopanyl cation and the more compact nature of the binding domain at 23Z compared with 23E. On the other hand, analogs with the CH2OH group gave novel hopane skeletons having 1‐formylethyl and 1‐hydroxyprop‐2‐en‐2‐yl residues at C‐21. Products bearing an aldehyde group were generated in higher yield from 23Z‐CH2OH‐1 (89 %), than from 23E‐CH2OH‐1 (26 %). The significant yield (26 %) of the aldehyde products from 23E‐CH2OH‐1 indicated that C−C bond rotation had occurred owing to the absence of hydrophobic interactions between the hydrophilic 23E‐CH2OH and its binding site. The polycyclization mechanisms of the four different analogs are discussed.
Intra‐ and Interparticle Heterogeneities in Solid Activators for Single‐Site Olefin Polymerization Catalysis as Revealed by Micro‐Spectroscopy
Authors: Velthoen Marjolein E. Z. , Meeldijk Johannes D. , Meirer Florian , Weckhuysen Bert M.
Published: May 2018

Methylaluminoxane (MAO) is an activator for single‐site olefin polymerization catalysts. Structural characterization of MAO, and in particular the influence of its heterogenization on a silica support, is pivotal for the understanding and optimization of this versatile co‐catalyst. In this work, we demonstrate that by varying the MAO loading on a silica support, we can tune the single particle characteristics in terms of MAO distribution and consequent activity. At low MAO loading we reveal two possible intraparticle MAO distributions: a homogeneous and an Al‐shell type distribution. With increasing MAO loading, the interparticle MAO distribution becomes more homogeneous. Acidity probing measurements on the single particle level explain how a different intraparticle MAO distribution results in a different activity in metallocene activation. Al‐shell particles contain remaining silanol groups and a negligible amount of acid sites and are, therefore, considered inactive for metallocene activation. Only the solid activator particles with a homogeneous intraparticle MAO distribution contain a sufficient number of acid sites, capable of activating the deposited metallocenes.
Upconversion Cross‐Correlation Spectroscopy of a Sandwich Immunoassay
Authors: Lahtinen Satu , Krause Stefan , Arppe Riikka , Soukka Tero , Vosch Tom
Published: May 2018

Fluorescence correlation and cross‐correlation spectroscopy (FCS/FCCS) have enabled biologists to study processes of transport, binding, and enzymatic reactions in living cells. However, applying FCS and FCCS to samples such as whole blood and plasma is complicated as the fluorescence bursts of diffusing labels can be swamped by strong autofluorescence. Here we present cross‐correlation spectroscopy based on two upconversion nanoparticles emitting at different wavelengths on the anti‐Stokes side of a single excitation laser. This upconversion cross‐correlation spectroscopy (UCCS) approach allows us to completely remove all Stokes shifted autofluorescence background in biological material such as plasma. As a proof of concept, we evaluate the applicability of UCCS to a homogeneous sandwich immunoassay for thyroid stimulating hormone measured in buffer solution and in plasma.
Hydraulics and Operation Performance of TCDC‐Extractors
Authors: Grafschafter Annika , Rudelstorfer Georg , Siebenhofer Matthäus
Published: May 2018

The Taylor‐Couette disc contactor (TCDC) uses the hydrodynamic advantages of the rotating disc contactor (RDC) and Taylor‐Couette reactor. Drop size distribution, dispersed phase holdup and residence time distribution (RTD) of the TCDC in 0.1 m and 0.3 m diameter scale were determined. A correlation for the prediction of the Sauer mean diameter was validated experimentally for 0.3‐m scale. Analysis of RTD suggests application of the tank‐in‐series model. The number of vessels in series rises with increasing hydraulic load and decrease with increasing rate of rotation. The axial dispersion coefficient was determined in order to evaluate backmixing.
Verbrennungen – Eine Unterrichtseinheit für inklusiven Unterricht
Authors: Baumann Thomas , Kieserling Mats , Struckholt Sonja , Melle Insa
Published: May 2018

Mit der Ratifizierung der UN‐Behindertenrechtskonvention im Jahr 2009 hat sich Deutschland verpflichtet, ein inklusives Bildungssystem auf allen Ebenen zu etablieren, um Menschen mit Behinderungen Bildung ohne Diskriminierung zu gewähren. Die Realisierung eines inklusiven Chemieunterrichts stellt aktuell viele Chemielehrkräfte vor eine neue Aufgabe und Herausforderung. Das Prinzip des Universal Design for Learning (UDL) stellt ein Rahmenkonzept zur Planung und Gestaltung von Unterricht mit universeller Zugänglichkeit dar, das vor allem in den USA seit vielen Jahren etabliert ist. Im vorliegenden Beitrag wird das UDL kurz beschrieben und eine Unterrichtseinheit vorgestellt, die auf Basis des UDL konzipiert wurde.
Polymer‐Based White‐Light‐Emitting Electrochemical Cells with Very High Color‐Rendering Index Based on Blue‐Green Fluorescent Polyfluorenes and Red‐Phosphorescent Iridium Complexes
Authors: Nishikitani Yoshinori , Cho Tetsuyuki , Uchida Soichi , Nishimura Suzushi , Oyaizu Kenichi , Nishide Hiroyuki
Published: May 2018

Application of the concept of three‐color (red (R), green (G), and blue (B)) light‐mixing to obtain white light is the most suitable way to realize white‐light‐emitting devices with very high color‐rendering indices (CRI). White‐light‐emitting devices based on the three‐color‐mixing method could be used to create lighting and display technologies. Here, white‐light‐emitting electrochemical cells (LECs) with very high CRIs are reported, which were fabricated by using blend films composed of a fluorescent π‐conjugated polymer (FCP), poly(9,9‐dioctylfluorene‐co‐benzothiadiazole) (PFBT), and a phosphorescent iridium complex, [Ir(ppy)2(biq)]+(PF6)− (where (ppy)−=2‐phenylpyridinate and biq=2,2′‐biquinoline). The LECs fabricated with PFBT, the benzothiadiazole content of which is 0.01 mol %, showed blue electroluminescence (EL) emission originating from the fluorene segments and green EL emission from the benzothiadiazole units simultaneously. White LECs were then realized by adding red‐emitting Ir complexes as guest molecules to the blue‐green‐emitting PFBT. By optimizing the proportions of the PFBT and Ir complexes in the active layers (PFBT/[Ir(ppy)2(biq)]+(PF6)−=1:0.2 (mass ratio)), white‐light emission with Commission Internationale de l′Eclairage (CIE) coordinates of (0.29, 0.34) and a very high CRI value of 91.5 was achieved through RGB color‐mixing. It was noted that the emission mechanism was based on Förster resonance energy transfer and Dexter energy transfer from excited PFBT to [Ir(ppy)2(biq)]+(PF6)−. The utilization of LECs based on blue‐green FCPs and red Ir complexes looks very promising for the prospect of realizing white‐light‐emitting devices with very high CRIs.
Real‐World Evidence: What It Is and What It Can Tell Us According to the International Society for Pharmacoepidemiology (ISPE) Comparative Effectiveness Research (CER) Special Interest Group (SIG)
Authors: Yuan Hongbo , Ali M. Sanni , Brouwer Emily S. , Girman Cynthia J. , Guo Jeff J. , Lund Jennifer L. , Patorno Elisabetta , Slaughter Jonathan L. , Wen Xuerong , Bennett Dimitri ,   the ISPE Comparative Effectiveness Research Special Interest Group
Published: May 2018

On December 8, 2016, the New England Journal of Medicine published a sounding board on Real World Evidence (RWE)1 by the US Food and Drug Administration (FDA) leadership. While the value of RWE based on nonrandomized observational studies was appreciated, such as for hypothesis generating, safety, and measuring quality in healthcare delivery, the authors expressed concerns on the quality of data sources and the ability of methodologies to control for confounding. In response, we offer a few considerations regarding these concerns.
Synthesis, Characterization and In Vitro Evaluation of Carbohydrate‐Containing Ruthenium Phthalocyanines as Third Generation Photosensitizers for Photodynamic Therapy
Authors: Ferreira Joana T. , Pina João , Ribeiro Carlos A. F. , Fernandes Rosa , Tomé João P. C. , Rodríguez‐Morgade M. Salomé , Torres Tomás
Published: May 2018

Pyridyl ligands with one ketal‐protected carbohydrate unit (glucofuranose, galactopyranose or mannofuranose) were coordinated to the axial positions of ruthenium phthalocyanines (RuPc) in order to target the macrocycles to tumor cells. The biocompatibility of the resulting photosensitizers (PS) was enhanced by increasing their solubility in water through their peripheral and/or axial functionalization with polyether chains (PEG). All compounds generated singlet oxygen, with peripherally unsubstituted phthalocyanines displaying higher 1O2 yields. In vitro assays using the human bladder cancer cell line HT‐1376 revealed that peripherally unsubstituted phthalocyanines were also more efficient in terms of cellular uptake and therefore, phototoxicity. The protected carbohydrate functional groups at the axial positions did not improve significantly the cellular uptake of PSs, although they increased their photodynamic efficiency. Overall, mixed RuPcs functionalized with one carbohydrate unit at one of the axial positions and two PEG units at the other axial site showed promising properties as photosensitizers for photodynamic therapy applications and low toxicity in the dark.
A common‐gate common‐source low noise amplifier based RF front end with selective input impedance matching for blocker‐resilient receivers
Authors: Ul Haq Faizan , Östman Kim B , Englund Mikko , Stadius Kari , Kosunen Marko , Koli Kimmo , Ryynänen Jussi
Published: May 2018

This paper presents an integrated wideband radio frequency front end with improved blocker resilience achieved through selective voltage attenuation at both input and output nodes of the low noise amplifier (LNA). The architecture differs from traditional LNA architectures where blockers are only attenuated at LNA output node. The proposed dual attenuation is attained by designing a low intrinsic input impedance common‐gate common‐source LNA with capacitive feedback, together with an N‐path filtering load. The capacitive feedback across the LNA ensures that the selective N‐path filtering profile at the LNA output is transferred to the LNA input nodes creating a selective input impedance. Consequently, the achieved front‐end input impedance is low at blocker frequencies and matched to the source impedance at the desired frequencies, creating the desired voltage attenuation for blockers. Further, a detailed theoretical analysis of proposed architecture is presented, which leads to clear design guidelines. Evaluated in a 28‐nm fully depleted silicon‐on‐insulator complementary metal oxide semiconductor (CMOS) process, front end is designed for wideband operation from 0.7 to 2.7 GHz. It consumes 11‐mA current from a 1‐V supply (excluding local oscillator (LO) buffering) and possesses a maximum noise figure of 5.1 dB. The front end demonstrates an out‐of‐band blocker compression point of −1.5 dBm and out‐of‐band IIP3 of +14 dBm at a 100‐MHz offset from LO frequency. In comparison with a traditional common‐gate common‐source LNA‐based front end with wideband input impedance matching, the proposed front end achieves 3.5‐dB improvement in the blocker compression point at a 100‐MHz offset from LO.
Multivariate theory‐based passivity criteria for linear fractional networks
Authors: Liang Guishu , Ma Long
Published: May 2018

In traditional linear network theory, the positive‐real (PR) criteria are widely used to judge the passivity of elements and networks in the light of the fact that there exists an equivalent relationship between the passivity and the PR property of their immittance functions (matrices). However, the equivalence will no longer hold when the fractional elements are introduced into the network, and the PR criteria are not suitable in complex frequency domain anymore. On the other hand, the rapid development of fractional‐order circuits and systems and the corresponding study in fractional circuit analysis and designs put forward an urgent requirement for the passivity criterion, which can tackle linear fractional networks. Hence, in this paper, we propose new passivity criteria for linear fractional networks by aid of generalized Tellegen's theorem and multivariable PR theory. By using the proposed criteria, the passivity of linear fractional networks can be judged, and the steps of the proposed criterion are illustrated by examples.
FAST: Rapid determinations of antibiotic susceptibility phenotypes using label‐free cytometry
Authors: Huang Tzu‐Hsueh , Tzeng Yih‐Ling , Dickson Robert M.
Published: May 2018

Sepsis, a life‐threatening immune response to blood infections (bacteremia), has a ∼30% mortality rate and is the 10th leading cause of US hospital deaths. The typical bacterial loads in adult septic patients are ≤100 bacterial cells (colony forming units, CFU) per ml blood, while pediatric patients exhibit only ∼1000 CFU/ml. Due to the low numbers, bacteria must be propagated through ∼24‐hours blood cultures to generate sufficient CFUs for diagnosis and further analyses. Herein, we demonstrate that, unlike other rapid post‐blood culture antibiotic susceptibility tests (ASTs), our phenotypic approach can drastically accelerate ASTs for the most common sepsis‐causing gram‐negative pathogens by circumventing long blood culture‐based amplification. For all blood isolates of multi‐drug resistant pathogens investigated (Escherichia coli, Klebsiella pneumoniae, and Acinetobacter nosocomialis), effective antibiotic(s) were readily identified within the equivalent of 8 hours from initial blood draw using <0.5 mL of adult blood per antibiotic. These methods should drastically improve patient outcomes by significantly reducing time to actionable treatment information and reduce the incidence of antibiotic resistance. © 2018 International Society for Advancement of Cytometry
Analgesic and anti‐inflammatory activities of epicatechin gallate from Bauhinia hookeri
Authors: Al‐Sayed Eman , Abdel‐Daim Mohamed M.
Published: May 2018

Hit, Lead & Candidate Discovery

The acetic acid‐induced writhing and hot plate models in mice were utilized to determine the analgesic effect of epicatechin gallate (ECG) isolated from Bauhinia hookeri. The anti‐inflammatory activity of ECG was determined using carrageenan‐induced paw edema model. The pro‐inflammatory mediators (PGE2, TNF‐α, IL‐1β, and IL‐6) were estimated in the plasma of different treatment groups. ECG was tested at doses of 100, 200, and 400 mg/kg p.o. and diclofenac sodium was used as a standard drug (100 mg/kg) in all experiments. ECG significantly (p < .001) suppressed the writhing response in mice. The inhibition percentages were 32, 52, and 62%, at the tested doses of ECG, respectively as compared to the positive control group receiving acetic acid only. Furthermore, ECG significantly (p < .001) increased the reaction time in hot plate model. The maximum analgesic effect was evident after 120 min. ECG demonstrated a significant anti‐inflammatory activity as evidenced by the inhibition of carrageenan‐induced paw edema (46, 50, and 58%, at the tested doses, respectively). This effect was persistent all over the experimental period. ECG produced a significant (p < .001) reduction in plasma PGE2 (by 27, 38, and 50%), TNF‐α (15, 33, and 41%), IL‐1β (17, 25, and 33%), and IL‐6 (22, 32, and 43%), at the tested doses, respectively. This study supports the use of ECG as both analgesic and anti‐inflammatory agent.
Research for leveraging food policy in universal eating disorder prevention
Authors: F. Rodgers Rachel , Sonneville Kendrin
Published: May 2018

Policy and legislation have emerged as important levers for universal prevention efforts in the context of eating disorders. However, to date, little attention has been paid to generating research that will inform opportunities to regulate the food environment, specifically the way that food is produced and marketed. The present paper aims to lay out a framework for research that will examine (1) the ways in which food industry may influence risk for eating disorders and (2) the impact of legislative efforts on eating disorder cognitions and behaviors. For these two pathways, specific examples of research that would serve to inform policy efforts aiming to decrease the risk for eating disorders by targeting the food environment are proposed. Overall, the present paper aims to issue a call for the eating disorder field to become involved in food policy and regulation.
Text‐mining as a methodology to assess eating disorder‐relevant factors: Comparing mentions of fitness tracking technology across online communities
Authors: McCaig Duncan , Bhatia Sudeep , Elliott Mark T. , Walasek Lukasz , Meyer Caroline
Published: May 2018

Objective

Text‐mining offers a technique to identify and extract information from a large corpus of textual data. As an example, this study presents the application of text‐mining to assess and compare interest in fitness tracking technology across eating disorder and health‐related online communities.

Method

A list of fitness tracking technology terms was developed, and communities (i.e., ‘subreddits’) on a large online discussion platform (Reddit) were compared regarding the frequency with which these terms occurred. The corpus used in this study comprised all comments posted between May 2015 and January 2018 (inclusive) on six subreddits—three eating disorder‐related, and three relating to either fitness, weight‐management, or nutrition. All comments relating to the same ‘thread’ (i.e., conversation) were concatenated, and formed the cases used in this study (N = 377,276).

Results

Within the eating disorder‐related subreddits, the findings indicated that a ‘pro‐eating disorder’ subreddit, which is less recovery focused than the other eating disorder subreddits, had the highest frequency of fitness tracker terms. Across all subreddits, the weight‐management subreddit had the highest frequency of the fitness tracker terms' occurrence, and MyFitnessPal was the most frequently mentioned fitness tracker.

Discussion

The technique exemplified here can potentially be used to assess group differences to identify at‐risk populations, generate and explore clinically relevant research questions in populations who are difficult to recruit, and scope an area for which there is little extant literature. The technique also facilitates methodological triangulation of research findings obtained through more ‘traditional’ techniques, such as surveys or interviews.
Low‐Cost Catalysts for the Water Gas Shift Reaction Based on Cu–Ni on La‐Promoted Ceria
Authors: Poggio‐Fraccari Eduardo , Rozenblit Abigail , Mariño Fernando
Published: May 2018

Proton‐exchange membrane fuel cells are of great interest for vehicular applications. A highly pure, sustainably obtained H2 stream is desirable to use as the cell feed. In the water gas shift (WGS) process, large amounts of CO, which is a poison for the cell anode, are removed from a bioalcohol‐derived H2 stream before it enters the cell. In this study, Cu–Ni catalysts supported on La‐doped ceria were analyzed and studied in the WGS reaction. The supports were prepared by the urea thermal decomposition method with different percentages of La as a promoter of ceria. The metal phase was incorporated by incipient wet impregnation. Many characterization techniques were employed in this work (BET, XRD, SEM, ICP, TPR, OSC), and the relationship between the resulting properties and catalytic performance was investigated to determine the effect of La. A mixture of Cu and Ni was found to be the most effective active phase, having considerable activity and selectivity towards the desired reaction. Low degrees of La doping in ceria enhance oxygen mobility in the lattice. A commercial Ce salt containing La as its main impurity (ca. 2 %) is a convenient precursor, given its good performance and low cost compared to a high‐purity salt.
Comparison of Carbon Stable Isotope and Fatty Acid Analyses for the Authentication of Perilla Oil
Authors: Kim Jinyeong , Yang Sehee , Jo Cheon‐Ho , Choi Jang‐Duck , Kwon Kisung , Ahn Sangdoo , Sook Chun Hyang , Hee Kim Byung
Published: May 2018

Perilla oils distributed in Korea are authenticated by analyzing their 13C/12C isotope ratios (expressed as δ13C) or fatty acid compositions. No significant differences are found in the δ13C values of authentic (n = 27) and adulterated (n = 10) perilla oils, whereas the distributions of 11 fatty acids (FAs) are significantly different in these oils. By using orthogonal projections for latent structures discriminant analysis (OPLS‐DA) technique, the 18:2n‐6, and 18:3n‐3 content levels are determined to be the best variables for authenticating perilla oil. The authenticity of 7 out of 76 blind samples are identified through δ13C values, whereas using the 18:2n‐6 and 18:3n‐3 content levels can identify the authenticity of 66 blind samples. These results suggest that fatty acid analysis is a more useful procedure for determining the perilla oil authenticity. A blind trial shows that perilla oils adulterated with corn, soybean, or perilla‐flavored oil at concentrations ≥5 vol% can be distinguished.

Practical applications: Public concern about economically motivated adulteration (EMA) of food is growing worldwide. Perilla oil is a targeted product for EMA in Korea due to its high retail price. This study provides the first evidence showing that 18:2n‐6 and 18:3n‐3 content levels can become new specifications and standards for perilla oils distributed in Korea.

The present study develops a procedure for authenticating perilla oils on the basis of the range of linoleic and α‐linolenic acid content levels. The procedure can correctly identify perilla oils adulterated with corn, soybean, or perilla‐flavored oil at concentrations ≥5 vol%.
Self‐Assembled Porphyrazine Nucleosides on DNA Templates: Highly Fluorescent Chromophore Arrays and Sizing Forensic Tandem Repeat Sequences
Authors: Ishutkina Mariia V. , Berry Alice R. , Hussain Rohanah , Khelevina Olga G. , Siligardi Giuliano , Stulz Eugen
Published: May 2018

The formation of chromophore arrays using a DNA templating approach leads to the creation of supramolecular assemblies, where the optical properties of the overall system can be fine‐tuned to a large extent. In particular, porphyrin derivatives have been shown to be versatile building blocks; mostly covalent chemistry was used for embedding the units into DNA strands. Self‐assembly of porphyrin modified nucleosides, on the other hand, has not been investigated as a simplified approach. We report on the synthesis of a magnesium(II) tetraaza porphine (MgTAP) coupled to deoxyuridine, and array formation on DNA templates which contain well‐defined oligo(dA) segments showing strong fluorescence enhancement which is significantly larger than that with a Zn‐porphyrin. The use of the deep‐eutectic solvent glycholine is essential for successful assembly formation. The system allows for sizing of short tandem repeat markers with multiple adenosines, thus the concept could be adaptable to in vitro forensic DNA profiling with a suitable set of different chromophores on all nucleosides.
A simple strategy for dynamic substructuring: II. Experimental evaluation
Authors: Stefanaki Aikaterini , Sivaselvan M. V. , Weinreber Scot , Pitman Mark
Published: May 2018

This paper is on an extensive experimental evaluation program to explore the robustness of a new strategy dynamic substructuring. This strategy, in contrast to conventional approaches, decouples the substructuring controller from the physical subsystem, and consequently results in a simple, yet robust, implementation. The concept is presented in detail in a companion paper. A configuration consisting of a shake table and an active mass driver is used in the experimental program, and various factors such as dynamics of virtual subsystems used, modeling of the actuator, choice of control gain settings, and nonlinear effects in the actuator are investigated, leading to the conclusion that the proposed strategy results in robust performance.
Understanding large‐scale, complex, human–environmental processes: a framework for social–ecological observatories
Authors: Bourgeron Patrick , Kliskey Andrew , Alessa Lilian , Loescher Henry , Krauze Kinga , Virapongse Arika , Griffith David L
Published: May 2018

There is a growing consensus that transdisciplinary environmental networks are required to generate knowledge of the dynamics of coupled human–natural systems (CHANs) and to assess societal and policy consequences of complex environmental issues. Few of the existing large environmental observatory networks collect much, if any, data on the CHANs coupling mechanisms, reaffirming the need to develop observing approaches and structures that address the interoperability of the diverse data being obtained from these systems. We review the characteristics of existing environmental observatories and similar initiatives used to monitor CHANs, and identify opportunities for interoperability among them. From a synthesis of the characteristics of environmental networks representing a wide spectrum of research approaches and applications, a conceptual framework of a typical Social–Ecological Observatory (SEO) is presented to support long‐term, multi‐scaled CHANs observations through a common set of principles for organizing the observatories. Finally, we identify three areas of emphasis where progress is needed to support the use and application of SEOs.
Anticipatory natural resource science and management for a changing future
Authors: Bradford John B , Betancourt Julio L , Butterfield Bradley J , Munson Seth M , Wood Troy E
Published: May 2018

Prolonged shifts in long‐term average climate conditions and increasing variability in short‐term weather conditions affect ecological processes, and represent a fundamental challenge for natural resource management. Recent and forthcoming advances in climate predictability may offer novel opportunities, but capitalizing on these opportunities will require focusing scientific research on understanding the links between climate and ecological responses over multiple timescales, fostering programmatic links among science and management agencies, and developing new and flexible decision‐making frameworks. Anticipating short‐ to near‐term climate conditions can help managers mitigate land degradation driven by unfavorable conditions and promote actions that make the most of favorable conditions. Similarly, anticipating long‐term, multidecadal climate trajectories can help managers to identify those species and communities that are most likely to remain viable throughout the 21st century. A focus on “anticipatory science and management” could substantially bolster natural resource planning and management but will require long‐term investment and widespread adoption.
Efficiency of high‐performance discontinuous Galerkin spectral element methods for under‐resolved turbulent incompressible flows
Authors: Fehn Niklas , Wall Wolfgang A. , Kronbichler Martin
Published: May 2018

The present paper addresses the numerical solution of turbulent flows with high‐order discontinuous Galerkin methods for discretizing the incompressible Navier‐Stokes equations. The efficiency of high‐order methods when applied to under‐resolved problems is an open issue in the literature. This topic is carefully investigated in the present work by the example of the three‐dimensional Taylor‐Green vortex problem. Our implementation is based on a generic high‐performance framework for matrix‐free evaluation of finite element operators with one of the best realizations currently known. We present a methodology to systematically analyze the efficiency of the incompressible Navier‐Stokes solver for high polynomial degrees. Due to the absence of optimal rates of convergence in the under‐resolved regime, our results reveal that demonstrating improved efficiency of high‐order methods is a challenging task and that optimal computational complexity of solvers and preconditioners as well as matrix‐free implementations are necessary ingredients in achieving the goal of better solution quality at the same computational costs already for a geometrically simple problem such as the Taylor‐Green vortex. Although the analysis is performed for a Cartesian geometry, our approach is generic and can be applied to arbitrary geometries. We present excellent performance numbers on modern cache‐based computer architectures achieving a throughput for operator evaluation of 3·108 up to 1·109 DoFs/s (degrees of freedom per second) on one Intel Haswell node with 28 cores. Compared to performance results published within the last five years for high‐order discontinuous Galerkin discretizations of the compressible Navier‐Stokes equations, our approach reduces computational costs by more than one order of magnitude for the same setup.
What drives informed trading before public releases? Evidence from natural gas inventory announcements
Authors: Gu Chen , Kurov Alexander
Published: May 2018

This paper shows evidence of informed trading in the natural gas futures market before gas inventory announcements. We examine whether traders can predict the upcoming announcement by processing public information. The results show that the difference between the median forecast of analysts with high historical forecasting accuracy and the consensus forecast can be used to predict inventory surprises. This predictor explains some of the pre‐announcement price drift, suggesting that informed trading before the announcement is likely to be driven by superior forecasting rather than by information leakage. A simple trading strategy conditioned on the predictor would have generated an annualized Sharpe ratio of 1.26.