bluuebunny/crossref_metadata_2025_split huggingface dataset:
Adhesion between ethylene‐propylene‐diene monomer and thermoplastics in two‐component injection molding: Effect of dicumylperoxide as curing agent
Authors: Laing Brittany , De Keyzer Jozefien , Seveno David , Van Bael Albert 
Published: March 2020

AbstractStrong adhesion at the interface is an important aspect in two‐component (2K) injection molding. It was therefore investigated whether dicumylperoxide (DCP) as curing agent in ethylene‐propylene‐diene monomer (EPDM) could stimulate interdiffusion and/or induce chemical bonding with thermoplastics. EPDM mixtures containing DCP concentrations between 2 to 8 parts per hundred rubber (phr) were combined with polar and non‐polar thermoplastics. Changes in EPDM physico‐mechanical bulk properties were analyzed, and the adhesion was evaluated by high temperature contact angle measurements and tensile testing. Results showed that DCP concentration did not influence EPDM‐thermoplastic compatibility. However, EPDM adhesion with polyethylene (PE) did improve when using up to 6 phr DCP (57% adhesion) as crosslinking is promoted. While with polypropylene (PP), adhesion linearly decreased (from 55% to 35% adhesion) with higher DCP concentrations due to prevailing scission reactions. Adhesion through chemical bonding with acrylonitrile‐butadiene‐styrene (ABS) caused better adhesion at 4 phr (43% adhesion) compared to polycarbonate (PC) at 4 phr (13% adhesion) where only limited interdiffusion occurs. Thus, selecting the optimal DCP concentration is highly important to boost adhesion between EPDM and thermoplastics. Furthermore, at these optimal DCP concentrations, physico‐mechanical properties require consideration as these properties were significantly affected.
Cellulosenanocrystals‐organicmontmorillonite nanohybrid material by electrostatic self‐assembly
Authors: Liu Hao , He Hui , Huang Bai 
Published: March 2020

AbstractThe hybridization based on various nanoparticles is an emerging technological field, involving the synergistic hybrid assembly of nanoparticles. In order to broaden the application of existing nanomaterials such as cellulose nanocrystals (CNC) and montmorillonite (MMT), a novel CNC–organic MMT (OMMT) nanohybrid material was constructed by electrostatic self‐assembly. Morphology observations showed that one‐dimensional needle‐like CNC were adsorbed on the surface of two‐dimensional flake‐like OMMT, thereby forming a three‐dimensional nanohybrid. In the nanohybrid, CNC and OMMT still maintained their original chemical structures. Zeta potential results indicated that there was a strong electrostatic adsorption between CNC and OMMT. Based on this, the lamellar structure of OMMT can hide sulfate groups on the CNC surface and had a shielding effect on heat transfer, thereby evidently improving the thermal stability of the nanohybrid. The nanohybrid with unique nanostructure is expected to achieve synergistic effects in polymer nanocomposites, which may provide a promising strategy for the fabrication of high‐performance polymer nanocomposites.
Tuning Magnetic Anisotropy in a Class of Co(II) Bis(hexafluoroacetylacetonate) Complexes
Authors: Huang Xing‐Cai , Li Jia‐Xin , Chen Yong‐Zhi , Wang Wen‐Yan , Xu Rui , Tao Jin‐Xia , Shao Dong , Zhang Yi‐Quan 
Published: March 2020

AbstractTuning the magnetic anisotropy of metal ions remains highly interesting in the design of improved single‐molecule magnets (SMMs). We herein report synthetic, structural, magnetic, and computational studies of four mononuclear CoII complexes, namely [Co(hfac)2(MeCN)2] (1), [Co(hfac)2(Spy)2] (2), [Co(hfac)2(MBIm)2] (3), and [Co(hfac)2(DMF)2] (4) (MeCN=acetonitrile, hfac=hexafluoroacetylacetone, Spy=4‐styrylpyridine, MbIm=5,6‐dimethylbenzimidazole, DMF=N,N‐dimethylformamide), with distorted octahedral geometry constructed from hexafluoroacetylacetone (hfac) and various axial ligands. By a building block approach, complexes 2–4 were synthesized by recrystallization of the starting material of 1 from various ligands containing solution. Magnetic and theoretical studies reveal that 1–4 possess large positive D values and relative small E parameters, indicating easy‐plane magnetic anisotropy with significant rhombic anisotropy in 1–4. Dynamic alternative current (ac) magnetic susceptibility measurements indicate that these complexes exhibit slow magnetic relaxation under external fields, suggesting field‐induced single‐ion magnets (SIMs) of 1–4. These results provide a promising platform to achieve fine tuning of magnetic anisotropy through varying the axial ligands based on Co(II) bis(hexafluoroacetylacetonate) complexes.
Money does not stink: Using unpleasant odors as stimulus material changes risky decision making
Authors: von Helversen Bettina , Coppin Géraldine , Scheibehenne Benjamin 
Published: March 2020

AbstractOdors are strong elicitors of affect, and they play an important role in guiding human behavior, such as avoiding fire or spoiled food. However, little is known about how risky decision making changes when stimuli are olfactory. We investigated this question in an experimental study of risky decision making with unpleasant odors and monetary losses in a fully incentivized task with real outcomes. Odor and monetary decisions were matched so that monetary losses corresponded to the amount of money participants were willing to pay to avoid smelling an odor. Hierarchical Bayesian analyses using prospect theory show that participants were less sensitive to probabilities when gambling with odors than when gambling with money. These results highlight the importance of taking the sensory modality into account when studying risky decision making.
Hydrothermal synthesis of carbon dots and their application for detection of chlorogenic acid
Authors: Han Zhu , He Li , Pan Shuang , Liu Hui , Hu Xiaoli 
Published: March 2020

AbstractA novel and sensitive fluorescence analysis platform was constructed for the detection of chlorogenic acid (CGA) using carbon dots (C‐dots) with prominent sensitivity and selectivity. Excitation‐dependent emission fluorescence C‐dots were fabricated using citric acid and l‐histidine as precursors through an efficient one‐step hydrothermal treatment. The maximum excitation and emission wavelength of the as‐synthesized C‐dots were 340 nm and 414 nm, respectively. Moreover, the as‐prepared C‐dots displayed excellent water solubility and good photostability. The fluorescence quantum yield of the as‐prepared C‐dots was measured to be about 22% using quinine sulfate as the reference. Furthermore, the obtained C‐dots were applied to the detection of CGA accompanied with a wide linear range from 1.53 μmol L−1 to 80.0 μmol L−1 as well as a limit detection of 0.46 μmol L−1. More importantly, the proposed fluorescence method was successfully used to analyse CGA in coffee and honeysuckle.
Prediagnostic adult body mass index change and esophageal adenocarcinoma survival
Authors: Loehrer Elizabeth A. , Giovannucci Edward L. , Betensky Rebecca A. , Shafer Andrea , Christiani David C. 
Published: March 2020

AbstractBackgroundWe examined whether body mass index (BMI) changes in adulthood, prior to disease onset, are associated with overall survival among esophageal adenocarcinoma patients.MethodsWe included 285 histologically confirmed patients with a complete baseline BMI questionnaire. Using extended Cox regression models, we obtained adjusted hazard ratios (HRs) for the associations between overall survival and BMI at diagnosis, BMI 6 months before diagnosis, self‐reported average adult BMI, and ΔBMI (BMI 6 months before diagnosis minus average adult BMI), categorized into tertiles <0 kg/m2 (BMI loss), ≥0 and <1.25 kg/m2 (stable BMI), and ≥1.25 kg/m2 (BMI gain). We also assessed interaction between ΔBMI and average adult BMI (≥ kg/m2 versus <27.5 kg/m2) with overall survival.ResultsBody mass index at diagnosis >25 and <35 kg/m2 was associated with better overall survival. Compared to patients with stable BMI in adulthood, patients who gained BMI throughout adulthood had 1.68 times the all‐cause hazard of death (95% CI: 1.17‐2.43; P < .01), independent of diagnosis BMI and percent weight loss 6 months before diagnosis. Compared to patients with average adult BMI < 27.5 who maintained stable adult BMI, patients with average adult BMI ≥ 27.5 kg/m2 who gained BMI had the worst survival (HR = 3.05; 95% CI 1.62‐5.72; P < .01).ConclusionBody mass index gain in adulthood is associated with poor overall survival, and maintaining a normal body weight throughout adulthood is associated with the best overall survival among esophageal adenocarcinoma patients, independent of BMI at diagnosis.
The Influence of Competing tRNA Abundance on Translation: Quantifying the Efficiency of Sense Codon Reassignment at Rarely Used Codons
Authors: Schwark David G. , Schmitt Margaret A. , Biddle Wil , Fisk John D. 
Published: March 2020

AbstractA quantitative understanding of how system composition and molecular properties conspire to determine the fidelity of translation is lacking. Our strategy directs an orthogonal tRNA to directly compete against endogenous tRNAs to decode individual targeted codons in a GFP reporter. Sets of directed sense codon reassignment measurements allow the isolation of particular factors contributing to translational fidelity. In this work, we isolated the effect of tRNA concentration on translational fidelity by evaluating reassignment of the 15 least commonly employed E. coli sense codons. Eight of the rarely used codons are reassigned with greater than 20 % efficiency. Both tRNA abundance and codon demand moderately inversely correlate with reassignment efficiency. Furthermore, the reassignment of rarely used codons does not appear to confer a fitness advantage relative to reassignment of other codons. These direct competition experiments also map potential targets for genetic code expansion. The isoleucine AUA codon is particularly attractive for the incorporation of noncanonical amino acids, with a nonoptimized reassignment efficiency of nearly 70 %.
Sanger Gap Sequencing for Genetic Alphabet Expansion of DNA
Authors: Kimoto Michiko , Soh Si Hui Gabriella , Hirao Ichiro 
Published: March 2020

AbstractGenetic alphabet expansion technology, creating new replicable and functional DNA molecules with unnatural base pairs (UBPs), is the novel promising research area of xenobiology. Recently, this technology has rapidly advanced, resulting in the need for a sequencing method for DNA molecules containing UBPs. However, all of the conventional sequencing methods, such as Sanger methods, are for four‐letter DNA molecules. Here, we present an improved Sanger sequencing method (Sanger gap sequencing) for DNAs containing our UBP, Ds‐Px, which appears as gaps in the sequencing peak patterns. By improving the sequencing reaction for efficient Ds‐Px pairing and using modified Px substrates, we have developed a sequencing method with increased processivity and clear gap patterns for multiple Ds‐Px pairs in various sequence contexts. This method is useful for UBP applications such as high‐affinity DNA aptamer generation and semisynthetic organism creation involving UBPs. In addition, through this research, we found that the side chains of UBs greatly affect the efficiency of UB pairings in replication, thus suggesting further development of UBPs.
Pb2+ as a Substrate and a Cofactor of a Porphyrin Metalation DNAzyme
Authors: Yang Hualin , Peng Dong , Zhou Yu , Liu Juewen 
Published: March 2020

AbstractWe herein report a DNAzyme named T30695 (sequence: (G3T)4) that can catalyze Zn2+ insertion into three different porphyrins in the presence of Pb2+ as a cofactor. Meanwhile, T30695 with Pb2+ alone was found to cause a shift in both the fluorescence and UV‐vis spectra of protoporphyrin IX (PPIX), thus suggesting that metalation of Pb2+ was also achieved at room temperature. From kinetic measurements, the reaction required two Pb2+ ions; this is consistent with one being a cofactor and the other being a substrate. No previous reports inserted Pb2+ into porphyrins by using DNAzymes or protein‐based enzymes. This reaction was most significantly inhibited in the presence of K+ followed by Na+ and Li+, suggesting the importance of the Pb2+‐stabilized G‐quadruplex. When Pb2+ is inserted into PPIX, its emission blue shifts from 635 to 590 nm, thus allowing simple ratiometric fluorescent sensing with a detection limit of 1.2 nM Pb2+.
Measuring Enzymatic Activities with Nanopores
Authors: Sheng Yingying , Zhang Shouwen , Liu Lei , Wu Hai‐Chen 
Published: March 2020

AbstractNanopores have become powerful and versatile tools for measuring single molecules since their emergence in the mid‐1990s. They can be used to sense a wide variety of analytes including metal ions, small organic molecules, DNA/RNA, proteins, etc. to monitor chemical reactions, and to sequence DNA. Recently, enzymes have been studied by using nanopore technologies. In this Minireview, we highlight recent efforts in developing nanopore enzymology and categorize the related work into three groups: 1) measuring enzymatic activities with nanopore‐enzyme hybrids; 2) measuring enzymatic activities through sensing their catalytic products with nanopores; 3) the use of enzymes for DNA sequencing and DNA/protein translocation. At the end, we discuss the challenges and opportunities in nanopore enzymology.
Recent Development of Photothermal Agents (PTAs) Based on Small Organic Molecular Dyes
Authors: Lv Shibo , Miao Yuyang , Liu Dapeng , Song Fengling 
Published: March 2020

AbstractPhotothermal therapy (PTT) has attracted great attention due to its noninvasive and effective use against cancer. Various photothermal agents (PTAs) including organic and inorganic PTAs have been developed in the last decades. Organic PTAs based on small‐molecule dyes exhibit great potential for future clinical applications considering their good biocompatibility and easy chemical modification or functionalization. In this review, we discuss the recent progress of organic PTAs based on small‐molecule dyes for enhanced PTT. We summarize the strategies to improve the light penetration of PTAs, methods to enhance their photothermal conversion efficiency, how to optimize PTAs’ delivery into deep tumors, and how to resist photobleaching under repeated laser irradiation. We hope that this review can rouse the interest of researchers in the field of PTAs based on small‐molecule dyes and help them to fabricate next‐generation PTAs for noninvasive cancer therapy.
Stability, Structure and Reconstruction of 1H‐Edges in MoS2
Authors: Sayed‐Ahmad‐Baraza Yuman , Ewels Christopher P. 
Published: March 2020

AbstractDensity functional studies of the edges of single‐layer 1H‐MoS2 are presented. This phase presents a rich variability of edges that can influence the morphology and properties of MoS2 nano‐objects, play an important role in industrial chemical processes, and find future applications in energy storage, electronics and spintronics. The so‐called Mo‐100 %S edges vertical S‐dimers were confirmed to be stable, however the authors also identified a family of metastable edges combining Mo atoms linked by two‐electron donor symmetrical disulfide ligands and four‐electron donor unsymmetrical disulfide ligands. These may be entropically favored, potentially stabilizing them at high temperatures as a “liquid edge” phase. For Mo‐50 %S edges, S‐bridge structures with 3× periodicity along the edge are the most stable, compatible with a Peierls’ distortion arising from the d‐bands of the edge Mo atoms. An additional explanation for this periodicity is proposed through the formation of 3‐center bonds.
Hetero Diels–Alder Reactions with a Dicationic Urea Azine Derived Azo Dienophile and Their Use for the Synthesis of an Electron‐Rich Pentacene
Authors: Werr Marco , Kaifer Elisabeth , Himmel Hans‐Jörg 
Published: March 2020

AbstractHerein, the first hetero Diels–Alder (DA) reactions with a stable, dicationic urea azine derived azo dienophile, synthesized by two‐electron oxidation of a neutral urea azine are reported. Several charged DA products were synthesized in good yield and fully characterized. The DA adduct of anthracene is in thermal equilibrium with the reactants at room temperature, and the reaction enthalpy and entropy were determined from the temperature‐dependent equilibrium constant. Furthermore, base addition to solutions of the pentacene DA product led to deprotonation, cleavage of the N−N bond, and formation of an electron‐rich 6,13‐bisguanidinyl‐substituted pentacene. The redox and optical properties of this new pentacene derivative were studied. Furthermore, the dication resulting from its two‐electron oxidation was synthesized and fully characterized. The results disclose a new elegant route to electron‐rich pentacene derivatives.
Electro‐Olefination—A Catalyst Free Stereoconvergent Strategy for the Functionalization of Alkenes
Authors: Baumann Andreas N. , Music Arif , Dechent Jonas , Müller Nicolas , Jagau Thomas C. , Didier Dorian 
Published: March 2020

AbstractConventional methods carrying out C(sp2)−C(sp2) bond formations are typically mediated by transition‐metal‐based catalysts. Herein, we conceptualize a complementary avenue to access such bonds by exploiting the potential of electrochemistry in combination with organoboron chemistry. We demonstrate a transition metal catalyst‐free electrocoupling between (hetero)aryls and alkenes through readily available alkenyl‐tri(hetero)aryl borate salts (ATBs) in a stereoconvergent fashion. This unprecedented transformation was investigated theoretically and experimentally and led to a library of functionalized alkenes. The concept was then carried further and applied to the synthesis of the natural product pinosylvin and the derivatization of the steroidal dehydroepiandrosterone (DHEA) scaffold.
Polymer Entrapment Flash Pyrolysis for the Preparation of Nanoscale Iridium‐Free Oxygen Evolution Electrocatalysts
Authors: Shih Pei‐Chieh , Zhang Cheng , Raheja Harshit , Sun Cheng‐Jun , Yang Hong 
Published: March 2020

AbstractThis paper describes the use of a new polymer entrapment flash pyrolysis (PEFP) method for making nanoscale yttrium ruthenate (Y2Ru2O7‐δ) electrocatalysts. This approach effectively reduced the synthesis temperature of phase‐pure pyrochlore catalysts from 1000 °C to 550 °C, and greatly suppressed the sintering of catalyst particles. The supported nanocrystalline Y2Ru2O7‐δ catalysts showed enhanced activity towards oxygen evolution reaction (OER) in acidic electrolyte and were stable at 1.50 V for the comparative study (>20 h) under the current density of 10 mA/cm2geo in chronopotentiometry testing. This is equivalent to an overpotential value of 270 mV, about half of that of the reference IrO2 catalyst. X‐ray absorption spectroscopy (XAS) and transmission electron microscopy (TEM) analysis showed that the high‐surface‐area Y2Ru2O7‐δ catalyst had an oxygen‐deficient structure. This study provides a route to the synthesis of fine ceramic (or oxide)‐based electrocatalysts for making high‐performing electrocatalysts.
Pharmacokinetics and Immunogenicity of ASP0113 in CMV‐Seronegative Dialysis Patients and CMV‐Seronegative and ‐Seropositive Healthy Subjects
Authors: Bonate Peter L. , Van Sant Charles , Cho Kathy , Zook Erin C. , Smith Larry R. , Boutsaboualoy Sou , Ye Ming , Wang Xuegong , Wu Ruishan , Koester Anne , Rammelsberg Diane , Goldwater Ronald , Marbury Thomas C. 
Published: March 2020

AbstractCytomegalovirus (CMV) infection causes significant morbidity and mortality in immunocompromised transplant patients. ASP0113, a first‐in‐class DNA vaccine containing plasmids encoding CMV phosphoprotein 65 and glycoprotein B (gB), was evaluated in a phase 1b, subject‐blinded study in CMV‐seropositive (n = 13) and CMV‐seronegative (n = 12) healthy and CMV‐seronegative dialysis subjects (n = 12) randomized to ASP0113 or placebo. End points included pharmacokinetics, anti‐gB antibody levels, phosphoprotein 65–specific T‐cell responses measured by ex vivo enzyme‐linked immune absorbent spot (ELISpot) assay and 10‐day cultured ELISpot and Stat T‐cell activation assays, and safety. ASP0113 concentrations peaked at 2‐10 and 24‐48 hours; the pharmacokinetics were similar across groups. No group demonstrated significant anti‐gB antibody responses. T‐cell responder rates in the cultured ELISpot assay were 8/12 (66.7%, 95%CI 35% to 90%) and 4/12 (33.3%, 95%CI 10% to 65%) in CMV‐seronegative healthy subjects and dialysis patients, respectively, whereas ex vivo ELISpot assay response rates were 4/11 (36.4%, 95%CI 11% to 69%) and 0/12, respectively. Responses peaked at week 27, with lower magnitude observed in CMV‐seronegative dialysis patients versus CMV‐seronegative healthy subjects. No serious adverse events occurred; the most common adverse event in ASP0113‐vaccinated patients was injection‐site pain (64.9%). Some CMV‐seronegative healthy subjects and dialysis patients had T‐cell responses; no humoral responses were detected.
On the Stability of Interactions between Pairs of Anions – Complexes of MCl3− (M=Be, Mg, Ca, Sr, Ba) with Pyridine and CN−
Authors: Zierkiewicz Wiktor , Wysokiński Rafał , Michalczyk Mariusz , Scheiner Steve 
Published: March 2020

AbstractThe ability of the central M atom of the MCl3− anion, with M=Be, Mg, Ca, Sr, Ba, to engage in a noncovalent bond with an approaching nucleophile is gauged by ab initio methods. The N atom of pyridine forms a M⋅⋅⋅N bond with an interaction energy between 12 and 21 kcal mol−1, even though the π‐hole above the M atom is not necessarily positive in sign. Despite a strong Coulombic repulsion between two anions, CN− is also able to approach the M atom so as to engage in a metastable complex that is higher in energy than the individual anions. The energy barrier separating this complex from its constituent anion pair is roughly 20 kcal mol−1. Despite the endothermic formation reaction energy of the CN−⋅⋅⋅MCl3− complex, the electron topology signals a strong interaction, more so than in pyridine⋅⋅⋅MCl3− with its exothermic binding energy. The dianionic complex is held together largely on the strength of interorbital interactions, thereby overcoming a repulsive electrostatic component. The latter is partially alleviated by the pyramidalization of the MCl3 unit which makes its π‐hole more positive. The complex sinks below the separate monomers in energy when the system is immersed in an aqueous medium, with a binding energy that varies from as much as 20 kcal mol−1 for Be down to 1.2 kcal mol−1 for Ba.
Copper(II) Dicyanamide Complexes with N‐Substituted Tetrazole Ligands – Energetic Coordination Polymers with Moderate Sensitivities
Authors: Wurzenberger Maximilian H. H. , Lechner Jasmin T. , Stierstorfer Jörg 
Published: March 2020

AbstractFollowing the useful concept of energetic coordination compounds (ECC), copper(II) dicyanamide was used as a building block for the synthesis of eight new complexes. As ligands, six different N‐substituted tetrazoles were applied, leading to the formation of high‐nitrogen containing complexes. The obtained compounds were characterized in detail by single crystal as well as powder XRD, IR, EA, DTA, and TGA. In addition, the sensitivities towards impact and friction were determined with BAM standard techniques as well as the sensitivity towards electrostatic discharges. All compounds show moderate sensitivities (IS>6, FS>80 N) and energetic properties but differ in their polymeric structures forming polymeric chains or layers up to 3D networks.