bluuebunny/crossref_metadata_2025_split huggingface dataset:
Deposits in the lungs of Kwädąy Dän Ts'ìnchį man: Characterization by a combination of analytical microscopical methods
Authors: Monsalve M. Victoria , Humphrey Elaine , Yueyang Shen , Schulze H. Georg , Atkins Chad G. , Blades Michael W. , Konorov Stanislav O. , Turner Robin F. B. , Walker David C. 
Published: August 2018

AbstractObjectivesThe approximately 250 years old remains of the Kwädąy Dän Ts'ìnchį man were found in a glacier in Canada. Studying the state of preservation of the corpse, we observed black deposits in his lung. Following this observation we wanted to determine: (1) location of the deposits in the lung tissue, (2) composition and origins of the deposits.MethodsBy light microscopy (LM) and transmission electron microscopy (TEM), we studied the deposits in the Kwädąy Dän Ts'ìnchį man’ s lung and compared it with distribution of anthracotic deposits in contemporary samples from the David Harwick Pathology Centre (DHPC). To determine chemical composition of the inclusions we used Raman spectroscopy. Scanning electron microscopy and elemental mapping was used for determine the chemical elements.ResultsThe histopathological identification of anthracosis in the Kwädąy Dän Ts'ìnchį man's lung allowed us to distinguish crushed parenchyma from conducting airway tissue and identification of particles using LM and TEM. Crystal particles were found using TEM. Ordered carbonaceous material (graphene and graphite), disordered carbonaceous material (soot) and what might be minerals (likely conglomerates) were found with Raman spectrometry. Gold and lead particles in the lung were discovered with scanning electron microscopy and elemental mapping.ConclusionsPresence of soot particles in anthracotic areas in the Kwädąy Dän Ts'ìnchį man's lung probably were due to an inhalation of particles in open fires. Gold and lead particles are most likely of an environmental origin and may have been inhaled and could have impacted his health and his Champagne and Aishihik First Nations (CAFN) contemporaries.
Differential Effects of β3‐ versus β2‐Amino Acid Residues on the Helicity and Recognition Properties of Bim BH3‐Derived α/β‐Peptides
Authors: Eddinger Geoffrey A. , Gellman Samuel H. 
Published: August 2018

AbstractOligomers containing α‐ and β‐amino acid residues (α/β‐peptides) have been shown to mimic the α‐helical conformation of conventional peptides when the unnatural residues are derived from β3‐amino acids or cyclic β‐amino acids, but the impact of incorporating β2 residues has received little attention. The effects of β2 residues on the conformation and recognition behavior of α/β‐peptides that mimic an isolated α‐helix were investigated. This effort has focused on 26‐mers based on the Bim BH3 domain; a set of isomers with identical α/β backbones that differ only in the placement of certain side chains along the backbone (β3 vs. β2 substitution) was compared. Circular dichroism data suggest that β2 residues can be helix‐destabilizing relative to β3 residues, although the size of this effect seems to depend on side chain identity. Binding data show that β3→β2 substitution at sites that contact a partner protein, Bcl‐xL, can influence affinity in a way that transcends effects on helicity.
A Six‐Crossing Doubly Interlocked [2]Catenane with Twisted Rings, and a Molecular Granny Knot
Authors: Danon Jonathan J. , Leigh David A. , Pisano Simone , Valero Alberto , Vitorica‐Yrezabal Iñigo J. 
Published: August 2018

AbstractA molecular
link (a six crossing, doubly interlocked, [2]catenane with twisted rings) and a 31#31 granny knot (a composite knot made up of two trefoil tangles of the same handedness) were constructed by ring‐closing olefin metathesis of an iron(II)‐coordinated 2×2 interwoven grid. The connections were directed by pendant phenyl groups to be between proximal ligand ends on the same faces of the grid. The
link was separated from the topoisomeric granny knot by recycling size‐exclusion chromatography. The identity of each topoisomer was determined by tandem mass spectrometry and the structure of the
link confirmed by X‐ray crystallography, which revealed two 82‐membered macrocycles, each in figure‐of‐eight conformations, linked through both pairs of loops.
Non‐Directed Cross‐Dehydrogenative (Hetero)arylation of Allylic C(sp3)−H bonds enabled by C−H Activation
Authors: Lerchen Andreas , Knecht Tobias , Koy Maximilian , Ernst Johannes B. , Bergander Klaus , Daniliuc Constantin G. , Glorius Frank 
Published: August 2018

AbstractHerein, we report the selective, non‐directed and cross‐dehydrogenative coupling of allylic C(sp3)−H bonds with C(sp2)−H bonds of (hetero)arenes. The methodology employs olefins and (hetero)arenes which are abundantly available chemical feedstocks, and could be applied in late‐stage functionalization reactions of pharmaceuticals. Furthermore, the system exclusively delivers the allylic C−C coupling products highlighting the preservation of the olefin substitution pattern for further derivatization.
Encapsulation of a CrIII Single‐Ion Magnet within an FeII Spin‐Crossover Supramolecular Host
Authors: Darawsheh Mohanad , Barrios Leoní A. , Roubeau Olivier , Teat Simon J. , Aromí Guillem 
Published: August 2018

AbstractSingle functional molecules are regarded as future components of nanoscale spintronic devices. Supramolecular coordination chemistry provides unlimited resources to implement multiple functions to individual molecules. A novel coordination [Fe2] helicate exhibiting spin‐crossover is demonstrated to be ideally suited to encapsulate a [Cr(ox)3]3− complex anion (ox=oxalate), unveiling for the first‐time single ion slow relaxation of the magnetization for this metal. A possibility of tuning the dynamics of this relaxation as well as the performance of the CrIII center as qubit arises from the observation that metastable high spin FeII centers from the host can be generated by irradiation with green light at low temperature.
Selective C(sp3)−H and C(sp2)−H Fluorination of Alcohols Using Practical Auxiliaries
Authors: Mao Yang‐Jie , Lou Shao‐Jie , Hao Hong‐Yan , Xu Dan‐Qian 
Published: August 2018

AbstractSelective introduction of fluorine into molecules by the cleavage of inert C−H bonds is of central academic and synthetic interest, yet remains challenging. Given the central role of alcohols in organic chemistry as the most ubiquitous building blocks, a versatile and selective C(sp3)−H and C(sp2)−H fluorination of simple alcohols, enabled by novel designed exo‐directing groups, is described. C(sp2)−H bond fluorination was achieved by using a simple acetone oxime as auxiliary, whereas a new, modular and easily accessible bidentate auxiliary was developed for the efficient and site‐selective fluorination of various primary methyl, methylene, and benzylic C(sp3)−H bonds. Fluorinated alcohols can readily be accessed by the removal of auxiliaries, and significantly expands the synthetic prospect of the present procedure.
Enantioselective Intramolecular Copper‐Catalyzed Borylacylation
Authors: Whyte Andrew , Burton Katherine I. , Zhang Jingli , Lautens Mark 
Published: August 2018

AbstractAn enantioselective copper‐catalyzed intramolecular borylacylation is reported. The reaction proceeds through an initial enantioselective borylcupration of the styrene, followed by a nucleophilic attack on the tethered carbamoyl chloride. The products, chiral borylated 3,3‐disubstituted oxindoles, were generated in excellent yields and enantioselectivities. The versatile carbon–boron bond provides a platform for a wide array of diversification.
Nucleic Acid‐Barcoding Technologies: Converting DNA Sequencing into a Broad‐Spectrum Molecular Counter
Authors: Liszczak Glen , Muir Tom W. 
Published: August 2018

AbstractThe emergence of high‐throughput DNA sequencing technologies sparked a revolution in the field of genomics that has rippled into many branches of the life and physical sciences. The remarkable sensitivity, specificity, throughput, and multiplexing capacity that are inherent to parallel DNA sequencing have since motivated its use as a broad‐spectrum molecular counter. A key aspect of extrapolating DNA sequencing to non‐traditional applications is the need to append nucleic‐acid barcodes to entities of interest. In this review, we describe the chemical and biochemical approaches that have enabled nucleic‐acid barcoding of proteinaceous and non‐proteinaceous materials and provide examples of downstream technologies that have been made possible by DNA‐encoded molecules. As commercially available high‐throughput sequencers were first released less than 15 years ago, we believe related applications will continue to mature and close by proposing new frontiers to support this assertion.
Improving Cardiac Surgery Outcomes by Using an Interdisciplinary Clinical Pathway
Authors: Hartjes Tonja , Gilliam Jamie , Thompson Ashley , Garvan Cynthia , Cowan Linda 
Published: August 2018

AbstractA cardiothoracic intensive care unit (CTICU) team evaluated preoperative and postoperative processes to improve outcomes for cardiac surgery patients. The primary aim of this project was to streamline and improve care in the CTICU by implementing a new clinical pathway for patients undergoing coronary artery bypass graft or valve replacement procedures. We analyzed processes, communication, ventilator days, respiratory complications, patient mobility, presence of invasive catheters and lines, CTICU length of stay, and hospital‐adjusted length of stay before and after we implemented the clinical pathway. This article outlines the methods we used to plan, implement, and assess the clinical pathway. Implementation of the clinical pathway successfully streamlined care, reduced variations in care, and improved health care quality and resource use.
Polypropylene nanocomposites with electrical and magnetic properties
Authors: Nisar Muhammad , Sebag Bernd Maria da Graça , da Silva Filho Luiz C. P. , Geshev Julian , de Souza Basso Nara R. , Barrera Galland Griselda 
Published: August 2018

ABSTRACTThe magnetic and conducting properties of polypropylene (PP)–reduced graphene oxide (rGO)–carbon nanotube with iron (CNT‐Fe) nanocomposites prepared by melt mixing were studied. CNT‐Fes were synthesized by the pyrolysis of sawdust, and rGO was produced from graphite flakes. The combination of these two materials was used to produce magnetic and conducting properties in a diamagnetic and insulating PP matrix with the addition of a small amount of filler. A constant and minute amount of CNT‐Fes was sufficient to introduce magnetic characteristics to the PP matrix. A variable amount of rGO was used, and the percolation threshold was achieved with the use of only 2.1 wt % rGO. All samples reached magnetic saturation at about 4.2 kOe, with an identical coercivity of 150 Oe and a normalized remnant magnetization of 0.14. Thermogravimetric and differential scanning calorimetry analyses showed enhancements in the maximum degradation temperature, melting temperature, crystallization temperature, and crystallinity. The nanocomposites showed better mechanical and barrier properties than the neat polymer. The novelty of this study was the use of a filler derived from waste combined with rGO to obtain a thermoplastic nanocomposite with both magnetic and conducting properties at room temperature. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46820.
Characterization of PMA–TPAI and PVAc–TPAI solid polymer electrolytes and application in dye‐sensitized solar cell
Authors: Azmar Amisha , Rozana M. D. , Winie Tan 
Published: August 2018

ABSTRACTPoly(methyl acrylate) (PMA)–tetrapropylammonium iodide (TPAI) and poly(vinyl acetate) (PVAc)–TPAI solid polymer electrolytes were prepared by solution casting method. DSC, FTIR, and conductivity results are reported. TPAI interacts with PMA and PVAc to form PMA–TPAI and PVAc–TPAI complexes. Formation of PMA–TPAI and PVAc–TPAI complexes are supported by the DSC and FTIR studies. Linear relationship for the dependence of glass‐transition temperature, T
g, on salt concentration allows the estimation of the complexation extent between polymer and salt. A greater extent of complexation for PMA with TPAI is observed and correlated with the FTIR results. The conductivities achieved at 15 wt % of TPAI for PMA and PVAc are 2.6 × 10−11 and 1.3 × 10−11 S cm−1, respectively. Higher dielectric constant and lower T
g of PMA result in higher number and mobility of ions, which lead to higher conductivity in accordance with σ = enμ. All‐solid‐state dye‐sensitized solar cells (DSSCs) were assembled with PMA–TPAI and PVAc–TPAI electrolytes. DSSC efficiencies achieved for PMA and PVAc are 2.41% and 2.05%, respectively. Better performance of DSSC with PMA electrolyte is attributed to higher short‐circuit current density, Jsc, and lower recombination loss. Lower Jsc, higher recombination loss, and degradation of counter electrode are the reasons for DSSC degradation. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46835.
Autonomous self‐healing based on epoxy resin–imidazole chemistry in carbon fiber‐reinforced polymer composites
Authors: Bolimowski P. A. , Boczkowska A. 
Published: August 2018

ABSTRACTEpoxy resin–imidazole chemistry is used as a new autonomous self‐healing system for unidirectional fiber‐reinforced polymers and tested for its efficiency in recovery of fracture properties in laminated carbon fiber‐reinforced polymers. The dual microcapsule approach is utilized to store and distribute the reactive chemistries in the structure. Microcapsules were located in possible damage regions using polymeric interleaves. Microcapsules containing separately the epoxy resin (EPIDIAN 52–ethyl phenylacetate) and imidazole hardener (1‐benzyl‐2‐methylimidazole) are prepared with poly(urea‐formaldehyde) and PMMA shell wall, respectively. Mode I fracture toughness tests are used to evaluate the recovery of the material mechanical properties. At optimized conditions, 117.5% of the interlaminar fracture toughness (GIC) was recovered after heat treatment at 100 °C for 24 h. Furthermore, it is demonstrated that the self‐healing efficiency is strongly dependent on the load of microcapsules with the imidazole hardener and that the microcapsules’ presence in the laminate has a detrimental effect on the material's mechanical performance. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 46938.
Reduced graphene oxide (RGO)‐induced compatibilization and reinforcement of poly(vinylidene fluoride) (PVDF)–thermoplastic polyurethane (TPU) binary polymer blend
Authors: Bera M. , Saha U. , Bhardwaj A. , Maji P. K. 
Published: August 2018

ABSTRACTCompatible blends of nonreactive thermoplastic fluoropolymer, poly(vinylidene fluoride) (PVDF) and thermoplastic polyurethane (TPU) at 70/30 weight ratio, were prepared by utilizing the unique structural feature of reduced graphene oxide (RGO). Here, RGO acts as a compatibilizer as well as a reinforcing filler. RGO interacts with both polymers and reduces the interfacial tension between them, leading to compatibilization. RGO content in the blends was varied from 0 to 0.5 wt %, and the best result was found at 0.3 wt % loading. Excellent compatibilization between PVDF and TPU was established by mechanical, morphological, and thermal property studies. Chemical interaction between the RGO/TPU and RGO/PVDF was proved by FTIR–ATR study. With the incorporation of 0.3 wt % RGO, tensile strength, Izod impact strength, and elongation at break of the blend were increased by 42%, 83%, and 43%, respectively. FESEM and AFM images of blends without loading of filler after etching out of TPU phase show nonuniformly distributed hole morphology. RGO‐containing blend has shown much finer and uniformly distributed holes that confirm improved compatibility between the two incompatible polymers. RGO also improves the thermal stability of the compatible blends considerably. At 0.3 wt % loading, the onset of thermal degradation increased by about 10 °C. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47010.
A rheometry method to assess the evaporation‐induced mechanical strength development of polymer solutions used for membrane applications
Authors: Caicedo‐Casso Eduard , Sargent Jessica , Dorin Rachel M. , Wiesner Ulrich B. , Phillip William A. , Boudouris Bryan W. , Erk Kendra A. 
Published: August 2018

ABSTRACTRotational and oscillatory shear rheometry were used to quantify the flow behavior under minimal and significant solvent evaporation conditions for polymer solutions used to fabricate isoporous asymmetric membranes by the self‐assembly and non‐solvent induced phase separation (SNIPS) method. Three different A‐B‐C triblock terpolymer chemistries of similar molar mass were evaluated: polyisoprene‐b‐polystyrene‐b‐poly(4‐vinylpyridine) (ISV); polyisoprene‐b‐polystyrene‐b‐poly(N,N‐dimethylacrylamide) (ISD); and polyisoprene‐b‐polystyrene‐b‐poly(tert‐butyl methacrylate) (ISB). Solvent evaporation resulted in the formation of a viscoelastic film typical of asymmetric membranes. Solution viscosity and film viscoelasticity were strongly dependent on the chemical structure of the triblock terpolymer molecules. A hierarchical magnitude (ISV > ISB > ISD) was observed for both properties, with ISV solutions displaying the greatest solution viscosity, fastest film strength development, and greatest strength magnitude. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2019, 136, 47038.
Quantum‐Dot‐Mediated Controlled Synthesis of Dual Oxides of Molybdenum from MoS2: Quantification of Supercapacitor Efficacy
Authors: Mandal Debasish , Routh Parimal , Nandi Arun K. 
Published: August 2018

AbstractThe versatile technological applications of molybdenum oxides requires the efficient synthesis of various stoichiometric molybdenum oxides. Thus, herein, a controlled method to synthesize both MoO3 and MoO2 from MoS2 via quantum dot intermediates is reported. Microscopic, spectroscopic, and X‐ray studies corroborate the formation of orthorhombic α‐MoO3 with a microbelt structure and monoclinic MoO2 nanoparticles that self‐assemble into hollow tubes. Quantitative investigations into charge‐storage kinetics reveal that MoO2 exhibits an excellent pseudocapacitive response up to a mass loading of 5 mg cm−2 with an areal capacity of 327.2 mC cm−2 at 5 mV s−1, with 41.9 % retention at 100 mV s−1. In contrast, above a mass loading of 0.5 mg cm−2, the charge‐storage nature of MoO3 electrodes switches from that of a supercapacitor to battery type. At a sweep rate of 50 mV s−1, 87.2 % of the total charge is contributed by a capacitive response in a 1 mg cm−2 MoO2 electrode. The charge‐storage kinetics of MoO3 and MoO2 reflect on the respective asymmetric supercapacitors. A MoO2//graphite asymmetric supercapacitor holds an outstanding energy density of 341 mW h m−2 at a power density of 4949 mW m−2 and delivers an ultrahigh power density of 28140 mW m−2 with an energy density 142 mW h m−2 and energy efficiency of 87 %.
A Comparative Approach for Time‐Delay Fractional Optimal Control Problems: Discrete Versus Continuous Chebyshev Polynomials
Authors: Moradi Leila , Mohammadi Fakhrodin 
Published: August 2018

AbstractThis paper aims to demonstrate the superiority of the discrete Chebyshev polynomials over the classical Chebyshev polynomials for solving time‐delay fractional optimal control problems (TDFOCPs). The discrete Chebyshev polynomials have been introduced and their properties are investigated thoroughly. Then, the fractional derivative of the state function in the dynamic constraint of TDFOCPs is approximated by these polynomials with unknown coefficients. The operational matrix of fractional integration together with the dynamical constraints is used to approximate the control function directly as a function of the state function. Finally, these approximations were put in the performance index and necessary conditions for optimality transform the under consideration TDFOCPs into an algabric system. A comparison has been made between the required CPU time and accuracy of the discrete and continuous Chebyshev polynomials methods. The obtained numerical results reveal that utilizing discrete Chebyshev polynomials is more efficient and less time‐consuming in comparison to the continuous Chebyshev polynomials.
Genome‐wide association study and identification of chromosomal enhancer maps in multiple brain regions related to autism spectrum disorder
Authors: Zhang Lu , Liu Li , Wen Yan , Ma Mei , Cheng Shiqiang , Yang Jian , Li Ping , Cheng Bolun , Du Yanan , Liang Xiao , Zhao Yan , Ding Miao , Guo Xiong , Zhang Feng 
Published: August 2018

Autism spectrum disorder (ASD) is a complex developmental disorder with strong genetic components involved. Recent studies have demonstrated the importance of non‐coding regulatory variants for complex diseases. To explore the roles of chromosomal enhancer regions in the pathogenesis of ASD, we conducted an integrative analysis of genome‐wide association study (GWAS) and brain region related enhancer‐gene networks for ASD. The GWAS data of ASD were driven from a published study, involving 7,387 ASD cases and 8,567 controls. The enhancer‐gene networks of eight brain regions were used here. The GWAS of ASD was first merged respectively with the enhancer datasets of eight brain regions. Pathway enrichment analysis was then performed to detect ASD associated pathways based on the enhancer‐related single nucleotide polymorphism (SNPs) of each brain region. We detected multiple genes with brain region specific or common association signals, such as PGM3 (P value = 1.93 × 10−5) and RWDD2A (P value = 1.93 × 10−5) for hippocampus middle, and ENPP4 (all P values <0.05), and ENPP5 (all P values <0.05) for seven brain regions. By comparing the pathway enrichment analysis results of various brain regions, several cross brain regions pathways were detected for ASD, such as REACTOME_POTASSIUM_CHANNELS (all P values <0.05) for six brain regions and KEGG_CELL_ADHESION_MOLECULES_CAMS (all P values <0.05) for seven brain regions. In addition, several pathways were also identified for specific brain regions, such as REACTOME_CD28_DEPENDENT_PI3K_AKT_SIGNALING (P value = 4.00 × 10−3) for angular gyrus, REACTOME_SIGNALING_BY_CONSTITUTIVELY_ACTIVE_EGFR (P value = 2.22 × 10−3) for anterior caudate, and KEGG_PRION_DISEASES (P value = 1.00 × 10−4) for germinal matrix. Our results provide novel clues for understanding the genetic basis of ASD. Autism Research 2019, 12: 26–32. © 2018 International Society for Autism Research, Wiley Periodicals, Inc.Lay SummaryASD is a complex developmental disorder with strong genetic components, but the pathogenesis of ASD is still unclear. Using the latest GWAS data and enhancer map, we explored the brain region related biological pathways associated with ASD. Our results provide novel clues for revealing the functional relevance of enhancer variants with ASD and understanding the genetic basis of ASD.