bluuebunny/crossref_metadata_2025 huggingface dataset:
Electrochemical Oxidation of Lithium Carbonate Generates Singlet Oxygen
Authors: Mahne Nika , Renfrew Sara E. , McCloskey Bryan D. , Freunberger Stefan A.
Published: March 2018

Solid alkali metal carbonates are universal passivation layer components of intercalation battery materials and common side products in metal‐O2 batteries, and are believed to form and decompose reversibly in metal‐O2/CO2 cells. In these cathodes, Li2CO3 decomposes to CO2 when exposed to potentials above 3.8 V vs. Li/Li+. However, O2 evolution, as would be expected according to the decomposition reaction 2 Li2CO3→4 Li++4 e−+2 CO2+O2, is not detected. O atoms are thus unaccounted for, which was previously ascribed to unidentified parasitic reactions. Here, we show that highly reactive singlet oxygen (1O2) forms upon oxidizing Li2CO3 in an aprotic electrolyte and therefore does not evolve as O2. These results have substantial implications for the long‐term cyclability of batteries: they underpin the importance of avoiding 1O2 in metal‐O2 batteries, question the possibility of a reversible metal‐O2/CO2 battery based on a carbonate discharge product, and help explain the interfacial reactivity of transition‐metal cathodes with residual Li2CO3.
Dissolvable layered double hydroxide nanoadsorbent‐based dispersive solid‐phase extraction for highly efficient and eco‐friendly simultaneous microextraction of two toxic metal cations and two anionic azo dyes in real samples
Authors: Arghavani‐Beydokhti Somayeh , Rajabi Maryam , Asghari Alireza
Published: March 2018

For the first time, a new mode of dispersive solid‐phase extraction is presented as a simple, rapid, adsorbent‐free and environmentally friendly method for the simultaneous microextraction and preconcentration of trace amounts of two metal ions (Pb2+ and Cr3+) and two anionic azo dyes (reactive yellow 15 (RY15) and reactive black 5 (RB5)). This method is based upon the in situ formation of a layered double hydroxide (LDH) nanosorbent through an electrostatic induction process. In this method, extraction of the analytes is performed simultaneously with the formation of the nanosorbent only by adding hydroxide ions. After extraction and separation of the sorbent from the sample solution through a syringe nanofilter, the analytes are eluted by dissolving the LDHs in an acidic solution. Finally, the extracted metal cations and anionic azo dyes are directly determined by micro‐sampling flame atomic absorption spectrometry and micro‐volume UV–visible spectrophotometry, respectively. Under the optimal experimental conditions including 20 μmol of hydroxide ions, 248.4:20.8 μg l−1 of M2+:M3+ ions, 12 cycles of air agitation and 200 μl of CF3COOH (2 M), good linearities were obtained for Pb2+, Cr3+, RY15 and RB5 in the concentration ranges 50–600, 5.0–280, 30–2500 and 30–2000 ng ml−1, respectively, with correlation of determinations higher than 0.995. The preconcentration factor for the target analytes was 50 in a 10 ml sample solution. The limits of detection were found to be 15, 1.5, 10 and 10 μg l−1 for Pb2+, Cr3+, RY15 and RB5, respectively. The intra‐day and inter‐day precisions were in the ranges 4.3–6.1 and 5.5–6.8%, respectively. Additionally, the presented method is applicable for the analysis of the target analytes in different water samples with reasonable recoveries (>87%).
Dinuclear Cu(II) complexes based on p‐xylylene‐bridged bis(1,4,7‐triazacyclononane) ligands: Synthesis, characterization, DNA cleavage abilities and evaluation of superoxide dismutase‐ and catalase‐like activities
Authors: Tang Qi , Wu Ji‐Qing , Li Hong‐Yan , Feng Yan‐Fang , Zhang Zhong , Liang Yu‐Ning
Published: March 2018

Three new dinuclear Cu(II) complexes with the formulas [Cu2(pxdmbtacn)Cl4] (1), [Cu2(pxdmbtacn)Cl0.7(NO3)1.3(OH)2(H2O)1.3]⋅6H2O (2) and [Cu2(pxdiprbtacn)Cl4] (3) together with one previously reported complex, [Cu2(pxbtacn)Cl4] (4), were obtained from Cu(II) salts with three p‐xylylene‐bridged bis‐tacn ligands bearing pendant alkyl substituents or without pendant group. Complex 2 was structurally characterized as a centrosymmetric dinuclear molecule with each metal center being coordinated to some labile ligands in addition to one tacn ring. Based on the results of mass spectrometry and UV–visible spectroscopy, complexes 1 and 3 are capable of existing in aqueous solution as dinuclear species but 4 can partially form a dimer of the original dinuclear motif. Complexes 1, 3 and 4 can all effectively cleave supercoiled DNA oxidatively in the presence of hydrogen peroxide. The superoxide dismutase (SOD) activities of 1 and 3 measured under physiological conditions are comparable to that of the native CuZnSOD enzyme but the enzymatic activity of 4 is about three‐ to fourfold lower. Furthermore, complexes 1, 3 and 4 demonstrate moderate scavenging effect on hydrogen peroxide and their catalase activities are in the decreasing order of 3 > 1 > 4.
Synthesis, characterization, molecular docking, biological activity and density functional theory studies of novel 1,4‐naphthoquinone derivatives and Pd(II), Ni(II) and Co(II) complexes
Authors: Ekennia Anthony C. , Osowole Aderoju A. , Onwudiwe Damian C. , Babahan Ilknur , Ibeji Collins U. , Okafor Sunday N. , Ujam Oguejiofo T.
Published: March 2018

Two novel heterocyclic ligands, 2‐[(5‐fluoro‐1,3‐benzothiazol‐2‐yl)amino]naphthalene‐1,4‐dione (HL1) and 2‐[(5‐methyl‐1,3‐benzothiazol‐2‐yl)amino]naphthalene‐1,4‐dione (HL2), and their Pd(II), Ni(II) and Co(II) complexes were prepared and characterized using 1H NMR, 13C NMR, infrared and UV–visible spectroscopic techniques, elemental analysis, magnetic susceptibility, thermogravimetry and molar conductance measurements. The infrared spectral data showed that the chelation behaviours of the ligands towards the transition metal ions were through one of the carbonyl oxygen and deprotonated nitrogen atom of the secondary amine group. Molar conductance results confirmed that the complexes are non‐electrolytes in dimethylsulfoxide. The geometries of the complexes were deduced from magnetic susceptibility and UV–visible spectroscopic results. Second‐order perturbation analysis using density functional theory calculation revealed a stronger intermolecular charge transfer between ligand and metal ion in [NiL1(H2O)2(CH3COO‐)] and CoL1 compared to the other complexes. The in vitro antibacterial activity of the compounds against some clinically isolated bacteria strains showed varied activities. [NiL1(H2O)2(CH3COO‐)] exhibited the best antibacterial results with a minimum inhibitory concentration of 50 μg mL−1. The molecular interactions of the compounds with various drug targets of some bacterial organisms were established in a bid to predict the possible mode of antibacterial action of the compounds. The ferrous ion chelating ability of the ligands indicated that HL1 is a better Fe2+ ion chelator, with an IC50 of 29.79 μg mL−1, compared to HL2 which had an IC50 of 98.26 μg mL−1.
Synthesis of new zirconium complex supported on MCM‐41 and its application as an efficient catalyst for synthesis of sulfides and the oxidation of sulfur containing compounds
Authors: Tamoradi Taiebeh , Ghorbani‐Choghamarani Arash , Ghadermazi Mohammad
Published: March 2018

In the present work, we report synthesis of new zirconium complex supported on mesoporous silica by anchoring of adenine on the wall of functionalized MCM‐41, then reacted with ZrOCl2. The resultant MCM‐41‐Adenine‐Zr was characterized by FT‐IR, XRD, TEM, SEM, TGA, EDX, ICP and BET techniques. It was exhibited that the MCM‐41‐Adenine‐Zr can be used as an efficient and thermally stable nanocatalyst for the oxidation of sulfides, oxidative coupling of thiols and synthesis of sulfides. Moreover, this heterogeneous catalyst can be easily recovered from the reaction mixture by simple filtration and reused for several consecutive cycles without noticeable change in its catalytic activity.
Anchoring H3PW12O40 on aminopropylsilanized spinel‐type cobalt oxide (Co3O4‐SiPrNH2/H3PW12O40): A novel nanohybrid adsorbent for removing cationic organic dye pollutants from aqueous solutions
Authors: Pourzare Kolsoum , Farhadi Saeed , Mansourpanah Yaghoub
Published: March 2018

In this work, phosphotungstic acid (H3PW12O40; PW12) was chemically anchored on aminopropylsiloxane functionalized spherical Co3O4 nanoparticles (Co3O4–SiPrNH2) and the resultant nanocomposite (Co3O4–SiPrNH2/PW12) was fully characterized. The results demonstrated successful anchoring of PW12 on the surface of Co3O4–SiPrNH2nanoparticles. The Co3O4–SiPrNH2/PW12 nanohybrid indicated a specific surface area of 42.14 m2 g−1, which was greater than that of pure PW12 (ca. 5 m2 g−1). The adsorption efficiency of this novel adsorbent nanomaterial was evaluated for removing methylene blue (MB), rhodamine B (RhB) and methyl orange (MO) dyes from aqueous solutions. The hybrid nanomaterial exhibited a high adsorption rate and selective adsorptivity for the cationic MB and RhB dyes compared to those for anionic MO dye. The prepared hybrid nanomaterial removed over 98% of MB within 12 min. The effects of initial pH, contact time, adsorbent dosage, and temperature were investigated on the adsorption process. The adsorption capacity of nanohybrid for cationic MB dye was 38.46 mg g‐1. Also, adsorption kinetics indicated that the adsorption by Co3O4–SiPrNH2/PW12 was well‐modeled using pseudo‐second‐order kinetic model. Finally, thermodynamic parameters revealed that the adsorption was endothermic and spontaneous. The adsorption rate and ability of the Co3O4–SiPrNH2/PW12 were enhanced as compared with Co3O4 and Co3O4–SiPrNH2 samples due to enhanced electrostatic attraction intraction. The nanohybride was easily separated and reused without any change in structure. Thus, it could be a promising green adsorbent for removing organic pollutants in water.
Polypropylene separator coated with a thin layer of poly(lithium acrylate‐co‐butyl acrylate) for high‐performance lithium‐ion batteries
Authors: Zhang Yin , Song You‐Zhi , Yuan Jia‐Jia , Yin Xue , Sun Chuang‐Chao , Zhu Bao‐Ku
Published: March 2018

In this paper, poly(lithium acrylate‐co‐butyl acrylate) [P(AALi‐co‐BA)] was synthesized, and a P(AALi‐co‐BA)‐coated polypropylene (PP) separator was prepared by a simple dip‐coating process. In contrast to the conventional thick, dense gel polymer coating layer, a thin P(AALi‐co‐BA) layer was formed on the PP separator, which had less influence on the pore structure of the original PP separator and was beneficial for the migration of lithium ions through the separator. Furthermore, the AALi units in the copolymer could improve the wettability of the separator, while the BA units provided the separator with strong adhesion to the electrodes. As expected, the modified separators showed good wettability, high ionic conductivity, and excellent interface stability. In addition, the cycle stability and rate performance were also improved significantly. This facile, affordable, and effective method has great application potential for the modification of polyolefin‐based separators. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46423.
Influence of different compatibilizers on the morphology and properties of PA6/PET/glass fiber composites
Authors: Li Shuzhe , Wang Wei , Yu Li , Xia Zhean , Li Xinxin
Published: March 2018

Three kinds of compatibilizers, ethylene–ethyl acrylate copolymer (EEA), ethylene–ethyl acrylate–glycidyl methacrylate copolymer (EAG), and ethene–maleic anhydride–glycidyl methacrylate copolymer (EMG), were introduced to PA6/PET/GF blends for the first time to study the effect of different compatibilizers on composite. EEA, EAG, and EMG showed different effect on the properties of PA6/PET/GF blends. An observation of the GF–resin interface by scanning electronic microscope indicated EAG and EMG enhanced the adhesion of resin to GF, while EEA exhibited no improvement. Differential scanning calorimetry analysis showed that both EMG and EAG increased the degree of crystallinity of the PA6/PET/GF blends, whereas EEA declined. According to dynamic mechanical analysis, EAG, and EMG remarkably increased the storage modulus of composites. For the composites at a given GF content of 30 wt %, EMG increased the tensile strength from 140.6 to 156.3 MPa. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46429.
Another Nail in the Coffin for Learning Styles? Disparities among Undergraduate Anatomy Students’ Study Strategies, Class Performance, and Reported VARK Learning Styles
Authors: Husmann Polly R. , O'Loughlin Valerie Dean
Published: March 2018

The concept and existence of learning styles has been fraught with controversy, and recent studies have thrown their existence into doubt. Yet, many students still hold to the conventional wisdom that learning styles are legitimate, and may adapt their outside of class study strategies to match these learning styles. Thus, this study aims to assess if undergraduate anatomy students are more likely to utilize study strategies that align with their hypothetical learning styles (using the VARK analysis from Fleming and Mills, , Improve Acad. 11:137–155) and, if so, does this alignment correlate with their outcome in an anatomy course. Relatedly, this study examines whether students’ VARK learning styles are correlated with course outcomes regardless of the students’ study strategies, and whether any study strategies are correlated with course outcomes, regardless of student‐specific VARK results. A total of 426 anatomy students from the 2015 and 2016 Fall semesters completed a study strategies survey and an online VARK questionnaire. Results demonstrated that most students did not report study strategies that correlated with their VARK assessment, and that student performance in anatomy was not correlated with their score in any VARK categories. Rather, some specific study strategies (irrespective of VARK results), such as use of the virtual microscope, were found to be positively correlated with final class grade. However, the alignment of these study strategies with VARK results had no correlation with anatomy course outcomes. Thus, this research provides further evidence that the conventional wisdom about learning styles should be rejected by educators and students alike. Anat Sci Educ. © 2018 American Association of Anatomists.
[C6H14N]PbBr3: An ABX3‐Type Semiconducting Perovskite Hybrid with Above‐Room‐Temperature Phase Transition
Authors: Zhang Jing , Liu Xitao , Li Xianfeng , Han Shiguo , Tao Kewen , Wang Yuyin , Ji Chengmin , Sun Zhihua , Luo Junhua
Published: March 2018

Organic–inorganic hybrid perovskites, with the formula ABX3 (A=organic cation, B=metal cation, and X=halide; for example, CH3NH3PbI3), have diverse and intriguing physical properties, such as semiconduction, phase transitions, and optical properties. Herein, a new ABX3‐type semiconducting perovskite‐like hybrid, (hexamethyleneimine)PbBr3 (1), consisting of one‐dimensional inorganic frameworks and cyclic organic cations, is reported. Notably, the inorganic moiety of 1 adopts a perovskite‐like architecture and forms infinite columns composed of face‐sharing PbBr6 octahedra. Strikingly, the organic cation exhibits a highly flexible molecular configuration, which triggers an above‐room‐temperature phase transition, at Tc=338.8 K; this is confirmed by differential scanning calorimetry (DSC), specific heat capacity (Cp), and dielectric measurements. Further structural analysis reveals that the phase transition originates from the molecular configurational distortion of the organic cations coupled with small‐angle reorientation of the PbBr6 octahedra inside the inorganic components. Moreover, temperature‐dependent conductivity and UV/Vis absorption measurements reveal that 1 also displays semiconducting behavior below Tc. It is believed that this work will pave a potential way to design multifeatured perovskite hybrids by utilizing cyclic organic amines.
Organic‐Free, ZnO‐Assisted Synthesis of Zeolite FAU with Tunable SiO2/Al2O3 Molar Ratio
Authors: Guo Ya , Sun Tianjun , Gu Yiming , Liu Xiaowei , Ke Quanli , Wang Shudong
Published: March 2018

Zeolite FAU with tunable SiO2/Al2O3 molar ratio has been successfully synthesized in the absence of organic structure‐directing agents (OSDA). Specifically, the addition of zinc species contributes to the feasible and effective adjustment of the framework SiO2/Al2O3 molar ratio between about 4 and 6 depending on the amount of zinc species added in the batch composition. In contrast, a typical OSDA such as tetramethylammonium hydroxide (TMAOH) has a limited effect on the SiO2/Al2O3 molar ratio of the zeolite. The role of zinc species is essential for the crystallization of zeolite FAU with a higher SiO2/Al2O3 molar ratio under the particular synthesis conditions. It is speculated that zinc species may suppress the incorporation of aluminum into the aluminosilicate framework, which is due to the Coulombic repulsive interaction. A higher SiO2/Al2O3 molar ratio is also found to be accompanied by a lower CO2 adsorption heat for CO2/CH4 separation.
Countries with an immediate potential for primary prevention of spina bifida and anencephaly: Mandatory fortification of wheat flour with folic acid
Authors: Kancherla Vijaya
Published: March 2018

Objectives

Mandatory fortification of flour with folic acid has been proven to be a highly effective way to prevent spina bifida and anencephaly. Yet, over 100 countries worldwide do not implement this intervention. Our objectives were to identify countries with an immediate potential for mandatory fortification of wheat flour with folic acid and to estimate the number of preventable cases of spina bifida and anencephaly that would be averted each year through the intervention.

Methods

We examined folic acid fortification characteristics in countries as of September 2017. Country selection criteria included current fortification status, existing industrial capacity for flour production, fortification coverage, and daily grams of per capita wheat flour available for human consumption. We estimated the country‐specific number of preventable cases of spina bifida and anencephaly by calculating the difference between the observed prevalence (prefortification) and expected prevalence that can be achieved postfortification (0.5 per 1,000 live births).

Results

We identified 71 countries with an immediate potential for mandatory fortification of 145 million metric tons of wheat flour with folic acid. Fortification in identified countries would avert approximately 57,000 live births associated with folic acid‐preventable spina bifida and anencephaly annually and increase global prevention from the current rate of 13% to a new rate of 34%.

Conclusions

Fortification can be achieved immediately in many countries with existing industrial milling infrastructure. Effective fortification interventions can accelerate global primary prevention efforts of folic acid‐preventable spina bifida and anencephaly, especially in developing countries with a high prevalence of neural tube defects and associated morbidity and mortality.
Intergenerational transmission of gender segregation: How parents’ occupational field affects gender differences in field of study choices
Authors: van der Vleuten Maaike , Jaspers Eva , Maas Ineke , van der Lippe Tanja
Published: March 2018

The study explores how parents’ occupational field affects gender differences in educational fields. On the one hand, the theory of direct transfer predicts that adolescents enter fields similar to those of their parents because of intergenerational transmission of occupation‐specific resources and that adolescents are more likely to draw upon the resources provided by the higher‐status parent. On the other hand, the theory of sex‐role learning predicts that boys and girls are more likely to choose more gender‐stereotypical fields of study because they learn ‘appropriate’ gender‐role behaviour from their parents’ occupational field and that boys are more likely to learn this behaviour from their father and girls from their mother. We use longitudinal data collected from adolescents and their parents in the Netherlands (N = 2,497) and tested our hypotheses using multiple‐group structural equation modelling and multinomial regression analyses. In line with sex‐role learning, results show that especially mothers who are employed in a more feminine occupational field influence their daughters to enter a more feminine field of study (health, biology, agriculture and veterinary) and their sons to enter a more masculine field of study (science and technology). Mothers’ occupational field therefore not only influences girls’ field of study, but also boys’. This study highlights the role of horizontal characteristics when examining which field of study adolescents enter. Contrary to the stratification literature, which primarily focuses on fathers, this study concludes that mothers play a more important role in gender differences in fields of study.
Functional expression of aryl‐alcohol oxidase in Saccharomyces cerevisiae and Pichia pastoris by directed evolution
Authors: Viña‐Gonzalez Javier , Elbl Katarina , Ponte Xavier , Valero Francisco , Alcalde Miguel
Published: March 2018

Aryl‐alcohol oxidase (AAO) plays a fundamental role in the fungal ligninolytic secretome, acting as a supplier of H2O2. Despite its highly selective mechanism of action, the presence of this flavooxidase in different biotechnological settings has hitherto been hampered by the lack of appropriate heterologous expression systems. We recently described the functional expression of the AAO from Pleurotus eryngii in Saccharomyces cerevisiae by fusing a chimeric signal peptide (preαproK) and applying structure‐guided evolution. Here, we have obtained an AAO secretion variant that is readily expressed in S. cerevisiae and overproduced in Pichia pastoris. First, the functional expression of AAO in S. cerevisiae was enhanced through the in vivo shuffling of a panel of secretion variants, followed by the focused evolution of the preαproK peptide. The outcome of this evolutionary campaign—an expression variant that accumulated 4 mutations in the chimeric signal peptide, plus two mutations in the mature protein‐ showed 350‐fold improved secretion (4.5 mg/L) and was stable. This secretion mutant was cloned into P. pastoris and fermented in a fed‐batch bioreactor to enhance production to 25 mg/L. While both recombinant AAO from S. cerevisiae and P. pastoris were subjected to the same N‐terminal processing and had a similar pH activity profile, they differed in their kinetic parameters and thermostability. The strong glycosylation observed in the evolved AAO from S. cerevisiae underpinned this effect, since when the mutant was produced in the glycosylation‐deficient S. cerevisiae strain Δkre2, its kinetic parameters and thermostability were comparable to its poorly glycosylated P. pastoris recombinant counterpart.
Engineering cellulolytic bacterium Clostridium thermocellum to co‐ferment cellulose‐ and hemicellulose‐derived sugars simultaneously
Authors: Xiong Wei , Reyes Luis H. , Michener William E. , Maness Pin‐Ching , Chou Katherine J.
Published: March 2018

Cellulose and hemicellulose are the most abundant components in plant biomass. A preferred Consolidated Bioprocessing (CBP) system is one which can directly convert both cellulose and hemicellulose into target products without adding the costly hydrolytic enzyme cocktail. In this work, the thermophilic, cellulolytic, and anaerobic bacterium, Clostridium thermocellum DSM 1313, was engineered to grow on xylose in addition to cellulose. Both xylA (encoding for xylose isomerase) and xylB (encoding for xylulokinase) genes from the thermophilic anaerobic bacterium Thermoanaerobacter ethanolicus were introduced to enable xylose utilization while still retaining its inherent ability to grow on 6‐carbon substrates. Targeted integration of xylAB into C. thermocellum genome realized simultaneous fermentation of xylose with glucose, with cellobiose (glucose dimer), and with cellulose, respectively, without carbon catabolite repression. We also showed that the respective H2 and ethanol production were twice as much when both xylose and cellulose were consumed simultaneously than when consuming cellulose alone. Moreover, the engineered xylose consumer can also utilize xylo‐oligomers (with degree of polymerization of 2–7) in the presence of xylose. Isotopic tracer studies also revealed that the engineered xylose catabolism contributed to the production of ethanol from xylan which is a model hemicellulose in mixed sugar fermentation, demonstrating immense potential of this enhanced CBP strain in co‐utilizing both cellulose and hemicellulose for the production of fuels and chemicals.
Consensus guidelines for the uniform reporting of study ethics in anatomical research within the framework of the anatomical quality assurance (AQUA) checklist
Authors: Henry Brandon Michael , Vikse Jens , Pekala Przemyslaw , Loukas Marios , Tubbs R. Shane , Walocha Jerzy A. , Jones D. Gareth , Tomaszewski Krzysztof A.
Published: March 2018

Unambiguous reporting of a study's compliance with ethical guidelines in anatomical research is imperative. As such, clear, universal, and uniform reporting guidelines for study ethics are essential. In 2016, the International Evidence‐Based Anatomy Working group in collaboration with international partners established reporting guidelines for anatomical studies, the Anatomical Quality Assurance (AQUA) Checklist. In this elaboration of the AQUA Checklist, consensus guidelines for reporting study ethics in anatomical studies are provided with in the framework of the AQUA Checklist. The new guidelines are aimed to be applicable to research across the spectrum of the anatomical sciences, including studies on both living and deceased donors. The authors hope the established guidelines will improve ethical compliance and reporting in anatomical research. Clin. Anat. 31:521–524, 2018. © 2018 Wiley Periodicals, Inc.
A hybrid simulation platform for learning microprocessors
Authors: Papazoglou Panayotis M.
Published: March 2018

Modern engineering applications are based on microprocessors and microcontrollers. Thus, the microprocessor (uP) architecture constitutes a core course component in engineering education. Many technologies have been used by the Universities in the past 30 years for learning uPs. In the 1980s, hardware platforms have been used (e.g., MPF‐I) for learning assembly programming in hexadecimal mode of popular microprocessor models. The above platforms have been replaced by software simulators where the uP components are represented by visual objects. The software based approaches have lack of uP architecture customization and are limited only in assembly programming. On the other hand, the existing hardware based tools are low level and very complicated. Thus, the students do not work on uP design and assembly language development. In this paper, a novel hybrid simulator platform which changes the educational point of view regarding the uP learning methodology is presented. The proposed hybrid simulation platform (HSP) consists of hardware components which represent the uP architectural units and software components for system operation and administration. Using the HSP, students freely select the uP hardware based components and build their own architecture. On the other hand, professors can create educational scenarios with customizable experimental architectures.
Enzymatic Synthesis of Lignin‐Based Concrete Dispersing Agents
Authors: Jankowska Dagmara , Heck Tobias , Schubert Mark , Yerlikaya Alpaslan , Weymuth Christophe , Rentsch Daniel , Schober Irene , Richter Michael
Published: March 2018

Lignin is the most abundant aromatic biopolymer, functioning as an integral component of woody materials. In its unmodified form it shows limited water solubility and is relatively unreactive, so biotechnological lignin valorisation for high‐performance applications is greatly underexploited. Lignin can be obtained from the pulp and paper industry as a by‐product. To expand its application, a new synthesis route to new dispersing agents for use as concrete additives was developed. The route is based on lignin functionalisation by enzymatic transformation. Screening of lignin‐modifying systems resulted in functionalised lignin polymers with improved solubility in aqueous systems. Through grafting of sulfanilic acid or p‐aminobenzoic acid by fungal laccases, lignin became soluble in water at pH≤4 or pH≤7, respectively. Products were analysed and evaluated in miniaturised application tests in cement paste and mortar. Their dispersing properties match the performance criteria of commercially available lignosulfonates. The study provides examples of new perspectives for the use of lignin.
Proximal left anterior descending coronary artery stenosis should be considered when using the prognostic value of the residual SYNTAX score: Data from 10343 consecutive patients with long‐term follow up in the real world
Authors: Gao Guofeng , Feng Lei , Zhang Dong , Song Chenxi , Zhu Chenggang , Song Weihua , Zhao Yanyan , Xu Bo , Yin Dong , Dou Kefei
Published: March 2018

Objectives

The purpose of this study was to assess the prognostic significance of the residual SYNTAX score (rSS) in a large‐scale cohort of consecutive percutaneous coronary intervention (PCI) patients and to analyze whether residual proximal left anterior descending coronary artery (pLAD) lesions affect the prognosis of patients with same or similar rSS levels.

Background

The rSS, measured after PCI, has been assessed as an independent predictor of long‐term clinical outcome and a tool for quantification of incomplete revascularization, and still needs to be validated in various PCI populations. When using rSS to determine an objective level of reasonable incomplete revascularization, it is currently undefined whether a pLAD lesion deserves more attention.

Methods

The calculations of baseline SYNTAX scores (bSS) and rSS were performed in 10,343 consecutive patients undergoing PCI in Fuwai Hospital from January 2013 to December 2013. The primary endpoint was major adverse cardiac events (MACE), defined as a composite of all‐cause death, myocardial infarction (MI), and any revascularization. Secondary endpoints included the individual components of the MACE, cardiac death, and all‐cause death/MI.

Results

MACE and cardiac death rates were significantly higher among patients with residual pLAD stenosis ≥70%. rSS and residual pLAD stenosis ≥70% were both strong independent predictors of MACE. Compared with rSS, rSS plus residual pLAD stenosis was superior in predicting 30‐month MACE (P = .0016).

Conclusions

rSS is a strong independent predictor of long‐term adverse clinical outcomes. Residual pLAD lesions affect the prognosis of patients with same or similar rSS levels.
X‐ray canary in the cath lab: Posterior cataracts
Authors: Ahmad Tariq Ali , Gilchrist IanC.
Published: March 2018

Key Points

Cataract formation in the posterior subcapsular region of the lens is a lesion highly specific to both high‐dose acute radiation exposure and chronic low‐dose exposure.

Low‐dose radiation may not manifest lens changes for several decades after initial exposure.

Cardiac catheterization team members need to be educated on, and protected from, this form of radiation injury as its long latency period between exposure and physical damage may acutely reduce the sense of hazard amongst healthcare radiation workers.
5‐Year clinical follow‐up of the COBRA (complex coronary bifurcation lesions: Randomized comparison of a strategy using a dedicated self‐expanding biolimus A9‐eluting stent vs. a culotte strategy using everolimus‐eluting stents) study
Authors: Bennett J. , Adriaenssens T. , McCutcheon K. , Dens J. , Desmet W. , Sinnaeve P. , Vrolix M. , Dubois C.
Published: March 2018

Objectives

We evaluated healing responses with optical coherence tomography, and long‐term clinical outcomes after treatment with a dedicated stent versus a conventional culotte technique.

Background

Dedicated bifurcation stents have been proposed as an alternative treatment for coronary bifurcation lesions. The long‐term performance of dedicated stents versus conventional dual‐stent techniques for the treatment of complex coronary bifurcation lesions is unknown.

Methods

Forty patients with true coronary bifurcation lesions were randomized to treatment with a dedicated Axxess bifurcation stent in the proximal main vessel and additional Biomatrix stents in branches versus culotte stenting using Xience stents.

Results

The percentage of uncovered struts in each bifurcation segment at 9 months (primary endpoint) was similar between groups. Five‐year clinical follow‐up was available for all patients and included major adverse cardiac events [MACE; a composite of cardiac death, myocardial infarction (MI) and ischemia‐driven target lesion revascularization (TLR)], target‐vessel (TVR) and non‐target‐vessel revascularization (non‐TVR), non‐TLR and stent thrombosis. At 5 years, in the culotte group, one patient had undergone TLR and another suffered a clinical MI, resulting in 10% MACE versus none in the Axxess group. TVR (5% vs. 10%, P = 0.54) and non‐TVR (5% vs. 20%, P = 0.39) rates were similar between the Axxess and culotte groups, respectively. There was no stent thrombosis.

Conclusion

Compared with culotte stenting with Xience, complex coronary bifurcation stenting using a dedicated strategy combining the Axxess and Biomatrix stents results in similar stent strut coverage at 9 months, and excellent clinical outcomes at 5 years.
Bio‐Oil as a Potential Biomass‐Derived Renewable Raw Material for Bio‐Phenol Production
Authors: Zhu Lijuan , Jin Feng , Fan Minghui , Liu Junxu , Chang Rui , Jia Qifang , Tang Chi , Li Quanxin
Published: March 2018

A route for directional conversion of bio‐oil into phenol by means of coupling the catalytic cracking of the bio‐oil with the hydroxylation of the bio‐oil‐based benzene‐rich aromatics is proposed. High selectivity for phenol in the resulting organic liquid was achieved, with an almost complete conversion of the bio‐oil. Co‐cracking of the bio‐oil with methanol over a Zn‐modified zeolite significantly enhanced the yields of aromatics and decreased the deactivation of the catalyst during the catalytic cracking of the bio‐oil. The phenol yield depended on the metal oxide catalysts, the temperature, and the reaction time during hydroxylation of the benzene‐rich aromatics. The reaction pathway of converting bio‐oil into phenol was elucidated based on the products identified and the characterization of the catalysts.
Establishing the optimal blocks' order in SO‐PLS: Stepwise SO‐PLS and alternative formulations
Authors: P. Campos Maria , Sousa Ricardo , S. Reis Marco
Published: March 2018

Methods capable of handling multiple blocks of data have increased in popularity both in industry and academia, namely, in the fields of chemistry, food and beverages, pharmacology, and biology. Among the multiblock methodologies, sequential orthogonalized partial least squares (SO‐PLS) has been attracting great interest, given its interpretation capabilities (eg, the possibility to estimate the relative additional contributions of each block to predict the response and the degree of mutual overlap, ie, the blocks' communalities) associated to desirable modeling features, such as the independence from the relative scaling of the different data blocks and the flexibility to handle blocks with different dimensionalities and pseudo‐ranks. Given the sequential nature of SO‐PLS, it is critically dependent on the order of the blocks used. When a priori knowledge exists about the natural ordering of the blocks (eg, data arising from sequential operations in a production process), this specification is straightforward. However, in the absence of such knowledge or in cases where no order should be preferred a priori (as happens in the case study of this article), SO‐PLS faces the problem of having to find the most adequate one through the exhaustive search of all permutations. This problem is particularly relevant when the number of blocks is larger than 3, getting exponentially worse as this number increases. Situations where the number of natural data blocks is significant are already quite frequent (eg in multistage batch operations) and will tend to occur more often in the future, as Manufacturing 4.0 takes its course and data sources from the entire value chain become more abundant. Therefore, more efficient and systematic approaches are required to retain the benefits of SO‐PLS while coping with the increasing demands for data processing and analysis in Big Data applications. In this article, we introduce Stepwise SO‐PLS as an efficient algorithm for selecting the blocks ordering when performing SO‐PLS, with capabilities of block exclusion (a feature not shared by other current multiblock approaches). A robust statistical comparison framework based on Monte Carlo cross‐validation is employed to compare the proposed stepwise SO‐PLS formulation with the current systematic approach for selecting the block order and its new variant allowing for blocks selection, in their prediction capabilities. A real case study of the prediction of Madeira wine age will be used for establishing the comparison.
Harnessing Biology to Deliver Therapeutic and Imaging Entities via Cell‐Based Methods
Authors: Joshi Bishnu P. , Hardie Joseph , Farkas Michelle E.
Published: March 2018

The accumulation of therapeutic and imaging agents at sites of interest is critical to their efficacy. Similarly, off‐target effects (especially toxicity) are a major liability for these entities. For this reason, the use of delivery vehicles to improve the distribution characteristics of bio‐active agents has become ubiquitous in the field. However, the majority of traditionally employed, cargo‐bearing platforms rely on passive accumulation. Even in cases where “targeting” functionalities are used, the agents must first reach the site in order for the ligand–receptor interaction to occur. The next stage of vehicle development is the use of “recruited” entities, which respond to biological signals produced in the tissues to be targeted, resulting in improved specificities. Recently, many advances have been made in the utilization of cells as delivery agents. They are biocompatible, exhibit excellent circulation lifetimes and tissue penetration capabilities, and respond to chemotactic signals. In this Minireview, we will explore various cell types, modifications, and applications where cell‐based delivery agents are used.
Sulfones as Synthetic Linchpins: Transition‐Metal‐Free sp3–sp2 and sp2–sp2 Cross‐Couplings Between Geminal Bis(sulfones) and Organolithium Compounds
Authors: Trost Barry M. , Kalnmals Christopher A.
Published: March 2018

A valuable umpolung strategy that highlights the ambiphilic nature of the bis(phenylsulfonyl)methyl synthon and demonstrates its utility as a synthetic linchpin is reported. Although the bis(phenylsulfonyl)methyl group is typically introduced as an sp3‐carbon nucleophile, it is demonstrated that it can also function as an effective sp2‐carbon electrophile in the presence of organolithium nucleophiles. Alkyl‐ and aryllithiums couple with the central carbon of the bis(phenylsulfonyl)methyl unit to ultimately generate trisubstituted alkenes, comprising formal sp3–sp2 and sp2–sp2 cross‐couplings between organolithium reagents and bis(sulfones). This process occurs almost instantaneously at −78 °C in the absence of any transition metals. By developing this curious transformation, it has been demonstrated that bis(phenylsulfonyl)methane is a valuable synthetic linchpin, which can undergo two C−C bond‐forming processes as an sp3‐nucleophile, followed by a third C−C bond‐forming reaction as an effective sp2‐electrophile. This discovery significantly enhances the utility of this ubiquitous, but underutilized, linker group.
A Conductive Self‐Healing Double Network Hydrogel with Toughness and Force Sensitivity
Authors: Liu Shunli , Li Kewen , Hussain Imtiaz , Oderinde Olayinka , Yao Fang , Zhang Jiuyang , Fu Guodong
Published: March 2018

Mechanically tough and electrically conductive self‐healing hydrogels may have broad applications in wearable electronics, health‐monitoring systems, and smart robotics in the following years. Herein, a new design strategy is proposed to synthesize a dual physical cross‐linked polyethylene glycol/poly(acrylic acid) (PEG/PAA) double network hydrogel, consisting of ferric ion cross‐linked linear chain extensions of PEG (2,6‐pyridinedicarbonyl moieties incorporated into the PEG backbone, PEG‐H2pdca) as the first physical network and a PAA‐Fe3+ gel as the second physical network. Metal‐ion coordination and the double network structure enable the double network hydrogel to withstand up to 0.4 MPa tensile stress and 1560 % elongation at breakage; the healing efficiency reaches 96.8 % in 12 h. In addition, due to dynamic ion transfer in the network, the resulting hydrogels exhibit controllable conductivity (0.0026–0.0061 S cm−1) and stretching sensitivity. These functional self‐healing hydrogels have potential applications in electronic skin. It is envisioned that this strategy can also be employed to prepare other high‐performance, multifunctional polymers.
Detection and Imaging of Aβ1‐42 and Tau Fibrils by Redesigned Fluorescent X‐34 Analogues
Authors: Zhang Jun , Sandberg Alexander , Konsmo Audun , Wu Xiongyu , Nyström Sofie , Nilsson K. Peter R. , Konradsson Peter , LeVine Harry , Lindgren Mikael , Hammarström Per
Published: March 2018

We revisited the Congo red analogue 2,5‐bis(4′‐hydroxy‐3′‐carboxy‐styryl)benzene (X‐34) to develop this highly fluorescent amyloid dye for imaging Alzheimer's disease (AD) pathology comprising Aβ and Tau fibrils. A selection of ligands with distinct optical properties were synthesized by replacing the central benzene unit of X‐34, with other heterocyclic moieties. Full photophysical characterization was performed, including recording absorbance and fluorescence spectra, Stokes shift, quantum yield and fluorescence lifetimes. All ligands displayed high affinity towards recombinant amyloid fibrils of Aβ1‐42 (13–300 nm Kd) and Tau (16–200 nm Kd) as well as selectivity towards the corresponding disease‐associated protein aggregates in AD tissue. We observed that these ligands efficiently displaced X‐34, but not Pittsburgh compound B (PiB) from recombinant Aβ1‐42 amyloid fibrils, arguing for retained targeting of the Congo red type binding site. We foresee that the X‐34 scaffold offers the possibility to develop novel high‐affinity ligands for Aβ pathology found in human AD brain in a different mode compared with PiB, potentially recognizing different polymorphs of Aβ fibrils.
APTRA‐Based Luminescent Lanthanide Complexes Displaying Enhanced Selectivity for Mg2+
Authors: Walter Edward R. H. , Williams J. A. Gareth , Parker David
Published: March 2018

A series of three europium(III) complexes has been created in which an APTRA moiety has been integrated into the sensitising chromophore (APTRA=o‐aminophenol‐N,N,N‐triacetate). The constitutionally isomeric complexes EuL1 and EuL2 feature the APTRA unit linked to a metal‐bound pyridine ring through an alkynyl unit, differing according to the disposition of the APTRA substituents relative to the C≡C unit (para‐N and para‐O). In EuL3, the APTRA ring is directly bonded to the Eu‐coordinated pyridine (para‐O). The metal binding affinities for magnesium, calcium and zinc ions have been measured by using emission and excitation spectroscopy. The pyridylalkynylaryl systems, EuL1 and EuL2, offer superior affinity and selectivity for Mg2+. The Mg2+ affinities are surprisingly very different from prior studies on structurally related systems that incorporate organic fluorophores as reporters, as opposed to the macrocyclic Eu complex moiety. A much‐reduced affinity for calcium and zinc—possibly arising from the lower donor ability of the aryl N or O atoms arising from extended conjugation—means that magnesium ion concentrations can be measured directly in serum for the first time, by using such an approach. An apparent dissociation constant for magnesium binding of Kd=2.4 mm was calculated in the serum background.
Tuning Optoelectronic and Chiroptic Properties of Peptide‐Based Materials by Controlling the Pathway Complexity
Authors: López‐Andarias Alicia , López‐Andarias Javier , Atienza Carmen , Chichón Francisco J. , Carrascosa José L. , Martín Nazario
Published: March 2018

Supramolecular chemistry has evolved from the traditional focus on thermodynamic on‐pathways to the complex study of kinetic off‐pathways, which are strongly dependent on environmental conditions. Moreover, the control over pathway complexity allows nanostructures to be obtained that are inaccessible through spontaneous thermodynamic processes. Herein, we present a family of peptide‐based π‐extended tetrathiafulvalene (exTTF) molecules that show two self‐assembly pathways leading to two distinct J‐aggregates, namely metastable (M) and thermodynamic (T), with different spectroscopic, chiroptical, and electrochemical behavior. Moreover, cryo‐transmission electron microscopy (cryo‐TEM) reveals a different morphology for both aggregates and a direct observation of the morphological transformations from tapes to twisted ribbons.
Incidence of arrhythmias and impact of permanent pacemaker implantation in hospitalizations with transcatheter aortic valve replacement
Authors: Doshi Rajkumar , Decter Dean H. , Meraj Perwaiz
Published: March 2018

Background

This study sought to analyze in‐hospital outcomes associated with preexisting and newly implanted permanent pacemaker (PPM) in patients who underwent transcatheter aortic valve replacement (TAVR). PPM implantation following the development of conduction abnormalities is a common adverse event following TAVR. Furthermore, PPM implantation rates are higher in TAVR hospitalizations compared with the surgical alternative, thus we have analyzed the predictors of pacing post‐TAVR.

Hypothesis

We hypothesize that incidence of arrhythmias are high post‐TAVR and have worse adverse outcomes after receiving PPM.

Methods

The study population was identified from the National Inpatient Sample database between 2012 and 2014. TAVR population was identified using ICD‐9‐CM procedure codes 35.05 and 35.06. Hospitalizations were divided into 3 group: (1) with preexisting PPM, (2) with newly implanted PPM, and (3) without any PPM.

Results

Overall, 0.8% of hospitalizations presented with preexisting PPM and 23.7% of hospitalizations received new PPM. The overall incidence of atrial fibrillation was 44.5%, left bundle branch block 8.9%, complete atrioventricular block 9.5%, and right bundle branch block 2.7%. In‐hospital mortality was higher in hospitalizations receiving PPM compared with those without (4.9% vs 4.0%; P = 0.05). Length of stay and cost were higher in the group receiving new PPM. Female sex, atrial fibrillation, left bundle branch block, and second‐degree and complete atrioventricular block were significant predictors for receiving PPM after TAVR.

Conclusions

A risk stratification for hospitalizations with conduction disorders is necessary to avoid longer hospital stays, added costs, and mortality. Further research is warranted to investigate additional predictors for PPM after TAVR.
Late‐Stage Functionalization of Drug‐Like Molecules Using Diversinates
Authors: Kuttruff Christian A. , Haile Margit , Kraml Johannes , Tautermann Christofer S.
Published: March 2018

Late‐stage functionalization (LSF) is a powerful method to quickly generate new analogues of a lead structure without resorting to de novo synthesis. We have leveraged Baran Diversinates to carry out late‐stage functionalizations on lead structures from internal drug discovery projects and accurately predicted regioselectivities using computational methods. Our functionalization successfully afforded specific regioisomers which were in line with our predictions. To enhance reactivity, decrease reaction time, and increase reaction yields, we have developed new functionalization conditions involving iron(III) catalysis. Finally, we demonstrate how our LSF reactions using Baran Diversinates can lead to new analogues with improved in vitro DMPK parameters.