bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of 5‐sulfosalicylic acid‐intercalated layered double hydroxide and its effects on wood flour/polypropylene composites during accelerated UV weathering
Authors: Peng Yao , Wang Wen , Cao Jinzhen , Huang Yiheng 
Published: November 2016

ABSTRACTIn this study, 5‐sulfosalicylic acid (SA) anions have been intercalated into Mg3Al‐NO3 layered double hydroxide (LDH) to synthesize SA‐intercalated Mg3Al‐NO3‐LDH (LDH‐SA) by ion‐exchange reaction. Then, the effects of LDH, SA, and LDH‐SA on the photostability of wood flour/polypropylene (WF/PP) composites during accelerated ultraviolet (UV) weathering were investigated. The surface color, surface gloss, and mechanical properties of the composites during weathering were tested, accompanied by characterizations using SEM, ATR‐FTIR, and TG. The results showed that (1) SA anions completely replaced the
anions in LDH and the thermal stability of LDH‐SA was considerably enhanced; (2) composites with LDH or LDH‐SA exhibited less color change, fewer surface cracks, better thermal stability, and less losses of mechanical properties than the control group; (3) LDH‐SA showed a long‐term efficiency and alleviated the photo‐oxidation of WF/PP composites successfully; (4) LDH‐SA blocked UV light by physical shield effect of the layer sheets, as well as the chemical absorbability of the interlayer anions. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44597.
Strong effects of Tween 20 additive on the morphology and performance of poly(vinylidene fluoride) hollow‐fiber membranes
Authors: Chen Sheng‐Chang , Chang Hsu‐Hsien , Cheng Tung‐Wen , Su Yan‐Lin , Cheng Liao‐Ping 
Published: November 2016

ABSTRACTPoly(vinylidene fluoride) (PVDF) hollow‐fiber membranes were prepared from a Tween 20/water/triethyl phosphate/PVDF system. The effects of Tween 20 on the morphology and properties of the membranes were explored. Field emission scanning electron microscopy imaging indicated the presence of skinlike layers on both surfaces of the membranes. In the cross section, a bicontinuous morphology comprised of interlocked crystallites was observed. As the dosage of Tween 20 was raised, the size and quantity of nanopores on the surfaces increased, and the morphology of the crystallites in the cross section changed from sheaflike to sticklike. Tween 20 was removed almost completely during the membrane‐formation process, as validated by Fourier transform infrared–attenuated total reflection and 1H‐NMR spectrometry. Dextran filtrations were preformed to demonstrate the potential applications of these membranes in separation processes. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2017, 134, 44600.
Phenome‐Wide Association Study of Autoantibodies to Citrullinated and Noncitrullinated Epitopes in Rheumatoid Arthritis
Authors: Liao Katherine P. , Sparks Jeffrey A. , Hejblum Boris P. , Kuo I‐Hsin , Cui Jing , Lahey Lauren J. , Cagan Andrew , Gainer Vivian S. , Liu Weidong , Cai T. Tony , Sokolove Jeremy , Cai Tianxi 
Published: November 2016

ObjectivePatients with rheumatoid arthritis (RA) develop autoantibodies against a spectrum of antigens, but the clinical significance of these autoantibodies is unclear. Using a phenome‐wide association study (PheWAS) approach, we examined the association between autoantibodies and clinical subphenotypes of RA.MethodsThis study was conducted in a cohort of RA patients identified from the electronic medical records (EMRs) of 2 tertiary care centers. Using a published multiplex bead assay, we measured 36 autoantibodies targeting epitopes implicated in RA. We extracted all International Classification of Diseases, Ninth Revision (ICD‐9) codes for each subject and grouped them into disease categories (PheWAS codes), using a published method. We tested for the association of each autoantibody (grouped by the targeted protein) with PheWAS codes. To determine significant associations (at a false discovery rate [FDR] of ≤0.1), we reviewed the medical records of 50 patients with each PheWAS code to determine positive predictive values (PPVs).ResultsWe studied 1,006 RA patients; the mean ± SD age of the patients was 61.0 ± 12.9 years, and 79.0% were female. A total of 3,568 unique ICD‐9 codes were grouped into 625 PheWAS codes; the 206 PheWAS codes with a prevalence of ≥3% were studied. Using the PheWAS method, we identified 24 significant associations of autoantibodies to epitopes at an FDR of ≤0.1. The associations that were strongest and had the highest PPV for the PheWAS code were autoantibodies against fibronectin and obesity (P = 6.1 × 10−4, PPV 100%), and that between fibrinogen and pneumonopathy (P = 2.7 × 10−4, PPV 96%). Pneumonopathy codes included diagnoses for cryptogenic organizing pneumonia and obliterative bronchiolitis.ConclusionWe demonstrated application of a bioinformatics method, the PheWAS, to screen for the clinical significance of RA‐related autoantibodies. Using the PheWAS approach, we identified potentially significant links between variations in the levels of autoantibodies and comorbidities of interest in RA.
CRISPR/Cas9 Editing of Murine Induced Pluripotent Stem Cells for Engineering Inflammation‐Resistant Tissues
Authors: Brunger Jonathan M. , Zutshi Ananya , Willard Vincent P. , Gersbach Charles A. , Guilak Farshid 
Published: November 2016

ObjectiveProinflammatory cytokines such as interleukin‐1 (IL‐1) are found in elevated levels in diseased or injured tissues and promote rapid tissue degradation while preventing stem cell differentiation. This study was undertaken to engineer inflammation‐resistant murine induced pluripotent stem cells (iPSCs) through deletion of the IL‐1 signaling pathway and to demonstrate the utility of these cells for engineering replacements for diseased or damaged tissues.MethodsTargeted deletion of the IL‐1 receptor type I (IL‐1RI) gene in murine iPSCs was achieved using the RNA‐guided, site‐specific clustered regularly interspaced short palindromic repeat (CRISPR)/Cas9 genome engineering system. Clonal cell populations with homozygous and heterozygous deletions were isolated, and loss of receptor expression and cytokine signaling was confirmed by flow cytometry and transcriptional reporter assays, respectively. Cartilage was engineered from edited iPSCs and tested for its ability to resist IL‐1–mediated degradation in gene expression, histologic, and biomechanical assays after a 3‐day treatment with 1 ng/ml of IL‐1α.ResultsThree of 41 clones isolated possessed the IL‐1RI+/− genotype. Four clones possessed the IL‐1RI−/− genotype, and flow cytometry confirmed loss of IL‐1RI on the surface of these cells, which led to an absence of NF‐κB transcription activation after IL‐1α treatment. Cartilage engineered from homozygous null clones was resistant to cytokine‐mediated tissue degradation. In contrast, cartilage derived from wild‐type and heterozygous clones exhibited significant degradative responses, highlighting the need for complete IL‐1 blockade.ConclusionThis work demonstrates proof‐of‐concept of the ability to engineer custom‐designed stem cells that are immune to proinflammatory cytokines (i.e., IL‐1) as a potential cell source for cartilage tissue engineering.
Deeper Insight into the Diels–Alder Reaction through the Activation Strain Model
Authors: Fernández Israel , Bickelhaupt F. Matthias 
Published: November 2016

AbstractIn this Focus Review, we present the application of the so‐called Activation Strain Model of chemical reactivity to the Diels–Alder cycloaddition reaction. To this end, representative recent examples have been selected to illustrate the power of this new computational approach to gain a deeper quantitative understanding of this fundamental process in chemistry. We cover a wide range of issues, such as, the “endo‐rule”, reactivity trends emerging from systematic variation in the reactants’ strain, and cycloaddition reactions involving relevant species in material science, that is, fullerenes, polycyclic aromatic hydrocarbons and nanotubes.
Efficient Transfection of siRNA by Peptide Dendrimer–Lipid Conjugates
Authors: Kwok Albert , Eggimann Gabriela A. , Heitz Marc , Reymond Jean‐Louis , Hollfelder Florian , Darbre Tamis 
Published: November 2016

AbstractEfficient delivery of small interfering RNA (siRNA) into cells is the basis of target‐gene‐specific silencing and, ultimately, gene therapy. However, current transfection reagents are relatively inefficient, and very few studies provide the sort of systematic understanding based on structure–activity relationships that would provide rationales for their improvement. This work established peptide dendrimers (administered with cationic lipids) as siRNA transfection reagents and recorded structure–activity relationships that highlighted the importance of positive charge distribution in the two outer layers and a hydrophobic core as key features for efficient performance. These dendrimer‐based transfection reagents work as well as highly optimised commercial reagents, yet show less toxicity and fewer off‐target effects. Additionally, the degrees of freedom in the synthetic procedure will allow the placing of decisive recognition features to enhance and fine‐tune transfection and cell specificity in the future.
[Ag(OH2)2][Ag(SO4)2]: A Hydrate of a Silver(II) Salt
Authors: Gilewski Tomasz E. , Gawraczyński Jakub , Derzsi Mariana , Jagličić Zvonko , Mazej Zoran , Połczyński Piotr , Jurczakowski Rafal , Leszczyński Piotr J. , Grochala Wojciech 
Published: November 2016

AbstractWhen exposed to air at ambient conditions, AgSO4 slowly reacts with moisture, yielding AgSO4⋅H2O. The crystal structure determination (powder data) shows that it may be described as [Ag(OH2)2][Ag(SO4)2], with some sulfate groups being shared between different Ag2+ cations, resembling in that way its Cu2+ analogue. [Ag(OH2)2][Ag(SO4)2], the first hydrate of a compound of Ag2+, was extensively characterized using many physicochemical methods.
Minor Groove 3‐Deaza‐Adenosine Analogues: Synthesis and Bypass in Translesion DNA Synthesis
Authors: Malvezzi Stefano , Angelov Todor , Sturla Shana J. 
Published: November 2016

AbstractAnticancer drugs that alkylate DNA in the minor groove may give rise to 3‐alkyl‐adenosine adducts that interfere with replication, inducing apoptosis in rapidly dividing cancer cells. However, translesion DNA synthesis (TLS) by polymerase enzymes (Pols) with the capacity to bypass DNA adducts may contribute to damage tolerance and drug resistance. 3‐Alkyl‐adenosine adducts are unstable and depurinate, which is a barrier to addressing chemical and enzymatic aspects of how they impact the progress of DNA Pols. To characterize structure‐based relationships of 3‐adenine alkylation relevant to cancer drugs on duplex stability and DNA Pol‐catalyzed DNA synthesis, we synthesized stable 3‐deaza‐3‐alkyl‐adenosine analogues, including 3‐deaza‐3‐phenethyl‐adenosine and 3‐deaza‐3‐methoxynaphthylethyl‐adenosine, and incorporated them into oligonucleotides. A moderate reduction of duplex stability was observed on the basis of thermal denaturation data. Replication studies using purified Y‐family human DNA Pols hPol η, κ, and ι indicated that these enzymes can perform TLS over the modified bases. hPol η had higher misincorporation rates when synthesizing opposite the modified bases compared with adenine, whereas hPol κ and ι maintained high fidelity. These results provide insight into how alterations in chemical structure reduce bypass of minor‐groove adducts, and provide novel chemical probes for evaluating minor‐groove DNA alkylation.
Light‐Induced Porphyrin‐Based Spectroscopic Ruler for Nanometer Distance Measurements
Authors: Di Valentin Marilena , Albertini Marco , Dal Farra Maria Giulia , Zurlo Enrico , Orian Laura , Polimeno Antonino , Gobbo Marina , Carbonera Donatella 
Published: November 2016

AbstractInvited for the cover of this issue is the group of the Department of Chemical Sciences at the University of Padova. The image depicts the porphyrin‐based spectroscopic ruler developed for high‐sensitive and accurate distance measurements (1.8–8 nm) by pulsed electron‐electron double resonance spectroscopy (PELDOR/DEER) under light excitation. Read the full text of the article at 10.1002/chem.201603666.
Das Zusammenspiel von Verfahrenstechnik und Technologie in der Brauerei
Authors: Tippmann Johannes , Becker Thomas 
Published: November 2016

AbstractDie Bierherstellung und die damit verbundene Wissenschaft gilt als einer der ältesten biochemischen Prozesse, welche vom Menschen intensiv untersucht und erforscht wurde. Neben den biochemischen Vorgängen spielt eine Reihe von verfahrenstechnischen Unit Operations eine entscheidende Rolle für einen gleichbleibenden und erfolgreichen Brauprozess. Hierin liegt auch heute noch oft die Lösung zur Optimierung im Hinblick auf alle wichtigen Parameter: Effizienz, Zeit, Energie.
Production of κ‐carrageenan beads by prilling process
Authors: Bidoret Aurélie , Guihard Luc , Cauret Laurent , Poncelet Denis 
Published: November 2016

AbstractThe objective of this study is to prepare, evaluate, and understand carrageenan gelation. By using these properties of κ‐carrageenan, beads are created by thermal gelation. A warm κ‐carrageenan solution is extruded dropwise into a cold air column; the particles are collected. The relationship is studied between the process variables on the shape and size of κ‐carrageenan drops after gelation is established with the aid of image analysis. Thanks to these measurements, a model is developed to present satisfactory performance in industrial application.Mathematical models for κ‐carrageenan prilling, its simulated results, the parameters of equipment for the innovated process, and its application are addressed.
Numerical simulation of volume‐controlled mechanical ventilated respiratory system with 2 different lungs
Authors: Shi Yan , Zhang Bolun , Cai Maolin , Zhang Xiaohua Douglas 
Published: November 2016

AbstractMechanical ventilation is a key therapy for patients who cannot breathe adequately by themselves, and dynamics of mechanical ventilation system is of great significance for life support of patients. Recently, models of mechanical ventilated respiratory system with 1 lung are used to simulate the respiratory system of patients. However, humans have 2 lungs. When the respiratory characteristics of 2 lungs are different, a single‐lung model cannot reflect real respiratory system. In this paper, to illustrate dynamic characteristics of mechanical ventilated respiratory system with 2 different lungs, we propose a mathematical model of mechanical ventilated respiratory system with 2 different lungs and conduct experiments to verify the model. Furthermore, we study the dynamics of mechanical ventilated respiratory system with 2 different lungs. This research study can be used for improving the efficiency and safety of volume‐controlled mechanical ventilation system.
Tuning Nonlinear Optical Properties by Altering the Diradical and Charge‐Transfer Characteristics of Chichibabin's Hydrocarbon Derivatives
Authors: Fukuda Kotaro , Suzuki Yuta , Matsui Hiroshi , Nagami Takanori , Kitagawa Yasutaka , Champagne Benoît , Kamada Kenji , Yamamoto Yohsuke , Nakano Masayoshi 
Published: November 2016

AbstractHeteroatomic derivatives of Chichibabin's hydrocarbon are explored theoretically to highlight the relationship between the electronic structure and nonlinear optical (NLO) properties. The results show that the systems are divided into two classes: one that has intermediate electronic structure between two main contributing resonance structures, and a second with an electronic structure that is approximated by only one resonance structure. It is found that the former class of derivatives exhibits approximately one‐order larger static second hyperpolarizability (γ) than the latter class, because of either their intermediate diradical or charge‐transfer (CT) characteristics. The asymmetric systems are further scrutinized by using the static electric field model, which shows that the intermediate CT character is essential for the very large enhancement of γ in the asymmetric systems. These results not only clarify the structure–property relationships of open‐shell singlet NLO compounds with redox switching properties, but also shed light on a new and unexplored class of closed‐shell NLO systems generated by the introduction of intermediate CT nature into open‐shell singlet systems.
Two‐Dimensional Metal Oxide Nanoflower‐Like Architectures: A General Growth Method and Their Applications in Energy Storage and as Model Materials for Nanofabrication
Authors: Tao Tao , Chen Ying , Chen Yanhui , Fox Daniel S. , Zhang Hongzhou , Zhou Mengqi , Raveggi Massimo , Barlow Anders J. , Glushenkov Alexey M. 
Published: November 2016

AbstractNanoflower‐like architectures represent a unique type of nanomaterials in which thin 2D nanosheets are self‐organised into interconnected structures. Lack of restacking between nanosheets and significant internal porosity are the particular advantages of such nanoscale architectures. A general method for the preparation of nanoflowers of a range of oxides (e.g., FeTiO3, TiO2, Mn2O3) through a two‐step procedure of ball milling and subsequent hydrothermal treatment is outlined. Importantly, the synthetic method is valid not only for a single oxide, but is extendable to a family of oxide materials. It is established that the formation of the nanoflowers from ball‐milled powders follows a dissolution–precipitation mechanism; this is confirmed by inductively coupled plasma time of flight mass spectrometry measurements. Additional information on the X‐ray photoelectron spectroscopy characterisation and intermediate stage of growth of the nanostructures is included. Furthermore, two applications of Mn2O3 nanostructures are briefly investigated. Firstly, their properties for energy storage in the electrodes of electrochemical supercapacitors are presented. A capacitive response in the potential window of −0.1–0.9 V versus an Ag/AgCl reference electrode is observed, with an associated increase of the capacitance values over cycling. Secondly, the use of Mn2O3 nanoflowers as model systems for the development of novel nanofabrication techniques (such as nanopatterning with a He+ beam) is investigated.
Sequential N‐Alkylations of Tetrabenzotetraaza[8]circulene as a Tool To Tune Its Optical Properties
Authors: Chen Fengkun , Hong Yong Seok , Kim Dongho , Tanaka Takayuki , Osuka Atsuhiro 
Published: November 2016

AbstractSequential N‐alkylations of tetrabenzotetraaza[8]circulene provided mono‐, di‐, tri, and tetra‐N‐alkylated products in a controlled manner. Curiously, only opp isomer was obtained as a di‐N‐alkylated product. Upon increase of the N‐alkyl groups, the absorption and emission spectra exhibit continuous red‐shifts, and the excited‐state lifetimes become shortened, probably because of increased steric congestion at the nitrogen atoms that causes the central core to deviate from planarity. Mixed N‐substituted [8]circulenes have been also prepared.
PEGylated β‐Sheet Breaker Peptides as Inhibitors of β‐Amyloid Fibrillization
Authors: De Santis Serena , Chiaraluce Roberta , Consalvi Valerio , Novelli Federica , Petrosino Maria , Punzi Pasqualina , Sciubba Fabio , Giordano Cesare , Masci Giancarlo , Scipioni Anita 
Published: November 2016

AbstractThree PEGylated β‐sheet breaker peptides are designed as new inhibitors of β‐amyloid fibrillization. The peptide Ac‐Leu–Pro–Phe–Phe–Asp‐NH2, considered the lead compound, and hexamers in which taurine and β‐alanine substitute the acetyl group, are conjugated to poly(ethylene glycol); this conjugates self‐assemble into nanoparticles. The activity of the PEGylated peptides as inhibitors of amyloid fibrillization are tested in vitro using circular dichroism spectroscopy and scanning electron microscopy. The experimental results indicate that PEGylation does not impair the ability of the β‐sheet breaker peptides to inhibit fibrillogenesis in vitro. Moreover, microscopy images of β‐amyloid incubated for 6 days with the taurine‐containing peptide, suggest that this conjugate has major anti‐fibrillogenesis activity and demonstrate the important role of the sulfonamide function against the amyloid aggregation.
Strong Color Tuning of Self‐Assembled Azo‐Derived Phosphonic Acids upon Hydrogen Bonding
Authors: Girard Pauline , Hémez Julie , Silvestre Virginie , Labrugère Christine , Lartigue Lénaïc , Duvail Jean‐Luc , Ishow Eléna 
Published: November 2016

AbstractThe unexplored combination of a hydroxy‐gem‐bisphosphonic (HBP) unit with strongly absorbing azo dyes leads to the formation of a glassy material with unusual black color. Strong intermolecular hydrogen‐bonding interactions combined with extensive charge transfer are proposed from spectroscopic and mass spectrometry analyses performed in solution and on thin films. Dramatic color switch from blue gray/green to orange is obtained by varying the hydrogen‐bonding acceptor character of the solvent or substrate, thereby paving the way to tunable colored materials using HBP‐functionalized π‐conjugated molecules.
Mechanism of Chicoric Acid Electrochemical Oxidation and Identification of Oxidation Products by Liquid Chromatography and Mass Spectrometry
Authors: Newair Emad F. , Abdel‐Hamid Refat , Kilmartin Paul A. 
Published: November 2016

AbstractElectrochemical oxidation of chicoric acid (ChA) was investigated using cyclic voltammetry and chronoamperometry at a glassy carbon electrode. Chicoric acid generates single quasi‐reversible redox wave in cyclic voltammetry over a wide pH range, and an ECEC‐dimerization mechanism is proposed. Effect of glutathione (GSH) on the electrochemical oxidation of chicoric acid (ChA) was investigated in Britton−Robinson buffer solution. Ultra‐high performance liquid chromatography (UPLC) coupled with mass spectrometry (MS) was used to show that the naturally occurring chicoric acid (ChA) underwent an electrochemical oxidation in the presence of glutathione (GSH) to form mono‐, bi‐, tri‐, and four‐glutathione conjugates of chicoric acid and a mono‐glutathione conjugate of a chicoric acid dimer. The obtained results are useful for understanding and predicting the oxidative degradation pathway of chicoric acid.
Supported Cobalt Nanorod Catalysts for Carbon Dioxide Hydrogenation
Authors: Jimenez Juan , Bird Ashley , Santos Santiago Maryorie , Wen Cun , Lauterbach Jochen 
Published: November 2016

AbstractTo create new CO2 hydrogenation catalysts, we developed a methodology in which the selective surface faceting of nanorods is combined with the practicality of a supported catalyst. The basic Co catalyst with preferential {110} surface faceting was supported with either SiO2, Al2O3, or TiO2. We grafted charged ligands onto the Co nanorods to attract the support precursors to the surface of the Co to allow a large contact area between the Co and the support. The large contact area promoted the chemical interaction between the Co and the support, which was verified by using Raman spectroscopy, XRD, and temperature‐programmed reduction. TiO2‐ and Al2O3‐supported Co nanorods showed an increase in activity at low and high reaction temperatures, respectively, whereas the relatively inert SiO2‐supported nanorods possessed the same catalytic performance as unsupported rods.