bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cross‐Linking between Sodalite Nanoparticles and Graphene Oxide in Composite Membranes to Trigger High Gas Permeance, Selectivity, and Stability in Hydrogen Separation
Authors: Guo Hailing , Kong Guodong , Yang Ge , Pang Jia , Kang Zixi , Feng Shou , Zhao Lei , Fan Lili , Zhu Liangkui , Vicente Aurélie , Peng Peng , Yan Zifeng , Sun Daofeng , Mintova Svetlana 
Published: January 2020

AbstractThin membranes (900 nm) were prepared by direct transformation of infiltrated amorphous precursor nanoparticles, impregnated in a graphene oxide (GO) matrix, into hydroxy sodalite (SOD) nanocrystals. The amorphous precursor particles rich in silanols (Si−OH) enhanced the interactions with the GO, thus leading to the formation of highly adhesive and stable SOD/GO membranes via strong bonding. The cross‐linking of SOD nanoparticles with the GO in the membranes promoted both the high gas permeance and enhanced selectivity towards H2 from a mixture containing CO2 and H2O. The SOD/GO membranes are moisture resistance and exhibit steady separation performance (H2 permeance of about 4900 GPU and H2/CO2 selectivity of 56, with no degradation in performance during the test of 50 h) at high temperature (200 °C) under water vapor (4 mol %).
Synthesis of Electron‐Deficient Corona[5]arenes and Their Selective Complexation with Dihydrogen Phosphate: Cooperative Effects of Anion–π Interactions
Authors: Guo Shen‐Yi , Guo Qing‐Hui , Tong Shuo , Wang Mei‐Xiang 
Published: January 2020

AbstractReported here are the syntheses, conformational structures, electrochemical properties, and noncovalent anion binding of corona[5]arenes. A (3+2) fragment coupling reaction proceeded efficiently under mild reaction conditions to produce a number of novel heteroatom‐ and methylene‐bridged corona[3]arene[2]tetrazine macrocycles. Selective oxidation of the sulfur atom between two phenylene rings afforded sulfoxide‐ and sulfone‐linked corona[5]arenes in good yields. All corona[5]arenes synthesized adopted similar 1,2,4‐alternate conformational structures, forming pentagonal cavities. The cavity sizes and the electronic properties such as redox potentials, were measured with CV and DPV, and were influenced by the different bridging units. As electron‐deficient macrocycles, the acquired corona[3]arene[2]tetrazines served as highly selective hosts, forming complexes with the hydrogen‐bonded dimer of dihydrogen phosphate through cooperative anion–π interactions.
Enhancing Multicomponent Metal–Organic Frameworks for Low Pressure Liquid Organic Hydrogen Carrier Separations
Authors: Macreadie Lauren K. , Babarao Ravichandar , Setter Caitlin J. , Lee Seok J. , Qazvini Omid T. , Seeber Aaron J. , Tsanaktsidis John , Telfer Shane G. , Batten Stuart R. , Hill Matthew R. 
Published: January 2020

AbstractThe resurgence of interest in the hydrogen economy could hinge on the distribution of hydrogen in a safe and efficient manner. Whilst great progress has been made with cryogenic hydrogen storage or liquefied ammonia, liquid organic hydrogen carriers (LOHCs) remain attractive due to their lack of need for cryogenic temperatures or high pressures, most commonly a cycle between methylcyclohexane and toluene. Oxidation of methylcyclohexane to release hydrogen will be more efficient if the equilibrium limitations can be removed by separating the mixture. This report describes a family of six ternary and quaternary multicomponent metal–organic frameworks (MOFs) that contain the three‐dimensional cubane‐1,4‐dicarboxylate (cdc) ligand. Of these MOFs, the most promising is a quaternary MOF (CUB‐30), comprising cdc, 4,4′‐biphenyldicarboxylate (bpdc) and tritopic truxene linkers. Contrary to conventional wisdom that adsorptive interactions with larger, hydrocarbon guests are dominated by π–π interactions, here we report that contoured aliphatic pore environments can exhibit high selectivity and capacity for LOHC separations at low pressures. This is the first time, to the best of our knowledge, where selective adsorption for cyclohexane over benzene is witnessed, underlining the unique adsorptive behavior afforded by the unconventional cubane moiety.
Early Transition Metal Catalysis for Olefin–Polar Monomer Copolymerization
Authors: Chen Jiazhen , Gao Yanshan , Marks Tobin J. 
Published: January 2020

AbstractIntroducing polar functional groups into widely used polyolefins can enhance polymer surface, rheological, mixing, and other properties, potentially upgrading polyolefins for advanced, value‐added applications. The metal catalyst‐mediated copolymerization of non‐polar olefins with polar comonomers represents the seemingly most straightforward, atom‐ and energy‐efficient approach for synthesizing polar functionalized polyolefins. However, electrophilic early transition metal (groups 3 and 4)‐catalyzed processes which have achieved remarkable success in conventional olefin polymerizations, encounter severe limitations here, largely associated with the Lewis basicity of the polar co‐monomers. In recent years, however, new catalytic systems have been developed and successful strategies have emerged. In this Minireview, we summarize the recent progress in early transition metal polymerization catalyst development, categorized by the catalytic metal complex and polar comonomer identity. Furthermore, we discuss advances in the mechanistic understanding of these polymerizations, focusing on critical challenges and strategies that mitigate them.
Univariate and multivariate strategies for the rheological tests evaluation: Influence of additives in composite materials
Authors: Vita Silvia , Ricotti Rico , Malegori Cristina , Oliveri Paolo , Castellano Maila , Vicini Silvia 
Published: January 2020

AbstractFiller formulations are complex systems, characterized by a high number of components with different nature, as resins, extenders, additives. One of the main properties of a two‐component epoxy filler used for yacht application is the rheology. Thus, rheological additives are studied in both components after different times from the production. Rheological analysis produces a very large amount of information so statistical methods are useful to elaborate the data. In this study, a univariate approach (ANOVA) and a multivariate data processing, namely, principal component analysis after low‐level data fusion are carried out. It is shown that the multivariate approach provides the maximum useful information on the system. No differences are highlighted in the rheological behavior for the epoxy component, by using different additives while, for the polyamide component, the best rheological additive among the tested is the one that has a polyamide nature, being a polar system as itself.
Study on flame retardancy of APP/PEPA/MoO3synergism in vinyl ester resins
Authors: Zeng Gaofeng , Zhang Weiwei , Zhang Xin , Zhang Wenchao , Du Jianxin , He Jiyu , Yang Rongjie 
Published: January 2020

AbstractA range of flame retardant vinyl ester resins (VERs) samples have been produced containing different contents of PEPA (1‐oxo‐4‐hydroxymethyl‐2,6,7‐trioxa‐l‐phosphabicyclo[2.2.2]octane), APP (ammonium polyphosphate), and MoO3(molybdenum trioxide). By investigating the flame retardancy of VER samples such as limiting oxygen index and UL‐94, the synergistic flame retardance of APP, PEPA, and MoO3 has been revealed. The cone calorimeter is an instrument that measures the combustion data of samples. In the VER composites on fire, the synergistic smoke suppression effect of the APP, PEPA, and MoO3was detected. The gas and condensed phase of VER composites with APP, PEPA, and MoO3were tested by the thermogravimetric analysis (TGA)–Fourier transform infrared spectroscopy (FTIR) and FTIR. The char residues of samples have been studied at length by scanning electron microscopy and FTIR. The results show that the presence of MoO3 can promote the formation of PO and PO structures.
Moderate prenatal ethanol exposure in the rat promotes kidney cell apoptosis, nephron deficits, and sex‐specific kidney dysfunction in adult offspring
Authors: Akison Lisa K. , Probyn Megan E. , Gray Stephen P. , Cullen‐McEwen Louise A. , Tep Karrona , Steane Sarah E. , Gobe Glenda C. , Wlodek Mary E. , Bertram John F. , Moritz Karen M. 
Published: January 2020

AbstractAlcohol during pregnancy can impair fetal development and result in offspring with neurodevelopmental deficits. Less is known about how low to moderate alcohol exposure can affect other organs, such as the kidney. Here, the effects of moderate ethanol exposure throughout pregnancy on kidney development were examined using a rat model. Rats were fed a liquid diet containing 6% ethanol (vol/vol) or control (0% ethanol) throughout pregnancy. Kidneys were collected at embryonic day (E) 20 or postnatal day (PN) 30 and total glomerular (nephron) number determined using unbiased stereology. Kidney function was examined in offspring at 8 and 19 months. At E20, fetuses exposed to ethanol had fewer nephrons with increased apoptosis. Alcohol exposure caused kidney dysregulation of pro‐ (Bax) and anti‐ (Bcl‐2) apoptotic factors, and reduced expression of the cell proliferation marker, Ki67. Prenatal alcohol decreased expression of Gdnf and Tgfb1, important regulators of branching morphogenesis, in male fetuses. At PN30, kidney volume and nephron number were lower in offspring exposed to prenatal alcohol. Urine flow and osmolality were normal in offspring exposed to alcohol however sodium excretion tended to be lower in females prenatally exposed to alcohol. Findings suggest exposure to moderate levels of alcohol during pregnancy results in impaired kidney development and leads to a permanent nephron deficit. Although the impact on adult kidney function was relatively minor, these data highlight that even at moderate levels, alcohol consumption during pregnancy can have deleterious long‐term outcomes and should be avoided.
Unique Thia‐Baeyer–Villiger‐Type Oxidation of Dibenzothiophene Sulfoxides Derivatives
Authors: Shi Wenjun , Zhou Xinrui , Kong Yang , Li Jie , Markó István E. 
Published: January 2020

AbstractThe present research has demonstrated that selective C−S bond cleavages of dibenzothiophene and its derivatives are feasible by thia‐Baeyer–Villiger type oxidation, i. e. the oxygen insertion process within a sulfoxide‐carbon linkage, in the presence of porphyrin iron (III) and by ultraviolet irradiation originating from sunlight, high pressure Hg‐lamp or residentially germicidal ultraviolet lamp under very mild conditions. This reaction with tert‐butylhydroperoxide at 30.0 °C leads to dibenzo[1,2]oxathiin‐6‐oxide (PBS) in 83.2 % isolated yield or its hydrated products, 2‐(2‐hydroxyphenyl)‐benzenesulfinic derivatives (HPBS) in near 100 % yield based HPLC data. PBS and HPBS are a type of biological products detected on the C−S bond cleavage step through various oxidative biodesulfurization (OBDS) pathways, and are useful synthetic intermediates and fine chemicals. These observations may contribute on understanding delicately molecular aspect of OBDS in the photosynthesis system, expanding the C‐S cleavage chemistry of S‐heterocyclic compounds and approaching toward biomemic desulfurization with respect to converting sulfur contaminants to chemically beneficial blocks as needed and performing under the ambient conditions.
A highly sensitive and selective detection of picric acid using fluorescent sulfur‐doped graphene quantum dots
Authors: Kadian Sachin , Manik Gaurav 
Published: January 2020

AbstractThe development of an analytical probe to monitor highly mutagenic picric acid (PA) carries enormous significance for the environment and for health. A novel, simple and rapid fluorescence analytical assay using sulfur‐doped graphene quantum dots (SGQDs) was designed for the highly sensitive and selective detection of PA. SGQDs were synthesized via simple pyrolysis of 3‐mercaptopropionic acid and citric acid and characterized using advanced analytical techniques. Fluorescence intensity (FI) of SGQDs was markedly quenched by addition of PA, attributed to the inner filter effect and dominating static quenching mechanism between the two, in addition to a significant colour change. The calibration curve of the proposed assay exhibited a favourable linearity between quenched FI and PA concentration over the 0.1–100 μΜ range with a lowest detection limit of 0.093 μΜ and a correlation coefficient of 0.9967. The analytical assay was investigated for detection of trace amounts of PA in pond and rain water samples and showed great potential for practical applications with both acceptable recovery (98.0–100.8%) and relative standard deviation (1.24–4.67%). Analytical performance of the assay in terms of its detection limit, linearity range, and recovery exhibited reasonable superiority over previously reported methods, thereby holding enormous promise as a simple, sensitive, and selective method for detection of PA.
Uric acid is associated with cognitive impairment in the elderly patients receiving maintenance hemodialysis—A two‐center study
Authors: Zhang Jing , Tang Lijuan , Hu Jun , Wang Yuwei , Xu Yuzhen 
Published: January 2020

AbstractBackgroundElevated serum uric acid (SUA) has been associated with vascular cognitive impairment (CI) in the elderly. However, its relationship with cognitive function in the elderly patients receiving maintenance hemodialysis (MHD) has not yet been elucidated.ObjectiveThe cognitive impairment is prevalent in MHD patients. Various insults may contribute to cognitive impairment in patients with MHD. The aim of this study was to investigate the relationship between SUA and CI in the elderly patients receiving MHD.MethodsA total of 180 elderly MHD subjects from two hospitals were enrolled in our study. Cognitive function domains were evaluated by MMSE at the beginning of the trial. Demographic and clinical characteristics were collected and recorded.ResultsThe subjects were stratified into quartiles according to SUA level. Demographic and clinical characteristics such as age, gender, smoking habit, education year, blood pressure (BP), hemoglobin, albumin, blood glucose (BG), total cholesterol (TC), triglycerides (TG), high‐density lipoprotein cholesterol (HDL), low‐density lipoprotein cholesterol (LDL), blood urea nitrogen (BUN), and serum creatinine (Scr) did not differ dramatically among groups (p > .05). The Q1 group showed the highest MMSE scores, and the Q4 group showed the lowest MMSE sores (p < .05). There was a negative correlation between SUA and MMSE scores (r = −.307, p = .014), and this correlation was independent of demographic and clinical characteristics.ConclusionsElevated SUA maybe contributes to CI in the elderly MHD patients. SUA level is independent risk for the CI in the elderly MHD patients.
Using time‐lagged panel data analysis to study mechanisms of change in psychotherapy research: Methodological recommendations
Authors: Falkenström Fredrik , Solomonov Nili , Rubel Julian 
Published: January 2020

AbstractThe introduction of novel methodologies in the past decade has advanced research on mechanisms of change in observational studies. Time‐lagged panel models allow us to track session‐by‐session changes and focus on within‐patient associations between predictors and outcomes. This shift is crucial as change in mechanisms inherently takes place at a within‐patient level. These models also enable preliminary casual inferences, which can guide the development of effective personalised interventions that target mechanisms of change, used at specific treatment phases for optimal effect. Given their complexity, panel models need to be implemented with caution, as different modelling choices can significantly affect results and reduce replicability. We outline three central methodological recommendations for use of time‐lagged panel analysis to study mechanisms of change: (a) taking patient‐specific effects into account, separating out stable between‐person differences from within‐person fluctuations over time; (b) properly controlling for autoregressive effects; and (c) considering long‐term time trends. We demonstrate these recommendations in an applied example examining the session‐by‐session alliance–outcome association in a naturalistic psychotherapy study. We present limitations of time‐lagged panel analysis and future directions.
Pr2O3 Supported Nano‐layered Ruthenium Catalyzed Acceptorless Dehydrogenative Synthesis of 2‐Substituted Quinolines and 1,8‐Naphthyridines from 2‐Aminoaryl Alcohols and Ketones
Authors: Chaudhari Chandan , Sato Katsutoshi , Ogura Yuta , Miayahara Shin‐Ichiro , Nagaoka Katsutoshi 
Published: January 2020

AbstractPr2O3 supported Ru nanolayers and Ru nanoparticles catalysts were examined for the synthesis of quinolines. The Ru nanolayer was most active catalyst and showed a broad substrate scope. Structure‐activity relationship demonstrated that the metallic state and morphology of Ru as well as the basic site of Pr2O3 were indispensable factors of this catalytic system.
Polymer Film Heat Transfer Surfaces in Seawater Desalination: Fouling Layer Formation and Technology
Authors: Kiepfer Hendrik , Omar Waid , Schröder Timo , Bart Hans-Jörg 
Published: January 2020

AbstractThe emerging polyether ether ketone (PEEK) films were evaluated as future heat exchanger materials in seawater thermal desalination processes. Fouling resistance curves were measured in a pilot plant for pure PEEK films, talcum‐filled PEEK films, and stainless‐steel films with artificial seawater, showing that pure PEEK films have the advantage of weaker forces of adhesion or cohesion between the scaling materials and the film surface. Increasing the flow rate from 18 to 24 L min−1 results in decreases of both the fouling rate and the asymptotic values. This was attributed to the lower polarity of 10.4 %, the lower arithmetic average roughness of 0.06 μm, and the homogeneous topography of the PEEK film. This polymer film is adaptable to in situ cleaning in thermal seawater desalination processes.
Analysis of organophosphate pesticides in surface water—Comparison of method optimization approaches
Authors: Habedank Friederike , Feldhusen Frerk , Schulz‐Bull Detlef , Kanwischer Marion 
Published: January 2020

AbstractA multiresidue method optimization was conducted using the design of experiment approach. Out of 43 tested organophosphate compounds, 27 could be validated in surface water, yielding limits of detection of 0.6 to 2.5 ng L
by dispersive liquid‐liquid micro‐extraction and subsequent liquid chromatography‐tandem quadrupole mass spectrometry (LC‐MSMS) detection. For the optimization of the sample preparation, the factors sonication time, sample volume, binary extraction ratio, and addition of salt have been investigated by the Taguchi design of experiment approach. One hundred fifty milliliters sample were extracted for 1 minute with 400
L acetone and 800
L tetrachloroethene (TCE) three times subsequently. No salts were added. Combined extracts were reconstituted in 65
L methanol, ready for analysis.The design of experiment approach for method optimization is discussed thoroughly. The comparison to one factor at a time approach focuses on overall experimental expenditure, factor space coverage, acquired information regarding factor interactions, and statistical confirmation of results. Based on two similar analytical methods, it is illustrated that fewer but statistically derived experiments yield more information about the overall system enabling enhanced evaluation of experiment results.
Engineering of Laccase CueO for Improved Electron Transfer in Bioelectrocatalysis by Semi‐Rational Design
Authors: Zhang Lingling , Cui Haiyang , Dhoke Gaurao V. , Zou Zhi , Sauer Daniel F. , Davari Mehdi D. , Schwaneberg Ulrich 
Published: January 2020

AbstractCopper efflux oxidase (CueO) from Escherichia coli is a special bacterial laccase due to its fifth copper binding site. Herein, it is discovered that the fifth Cu occupancy plays a crucial and favorable role of electron relay in bioelectrocatalytic oxygen reduction. By substituting the residues at the four coordinated positions of the fifth Cu, 11 beneficial variants are identified with ≥2.5‐fold increased currents at −250 mV (up to 6.13 mA cm−2). Detailed electrocatalytic characterization suggests the microenvironment of the fifth Cu binding site governs the electrocatalytic current of CueO. Additionally, further electron transfer analysis assisted by molecular dynamics (MD) simulation demonstrates that an increase in localized structural stability and a decrease of distance between the fifth Cu and the T1 Cu are two main factors contributing to the improved kinetics of CueO variants. It may guide a novel way to tailor laccases and perhaps other oxidoreductases for bioelectrocatalytic applications.
Modulating the Electronic and Solid‐State Structure of Organic Semiconductors by Site‐Specific Substitution: The Case of Tetrafluoropentacenes
Authors: Geiger Thomas , Schundelmeier Simon , Hummel Thorsten , Ströbele Markus , Leis Wolfgang , Seitz Michael , Zeiser Clemens , Moretti Luca , Maiuri Margherita , Cerullo Giulio , Broch Katharina , Vahland Jörn , Leo Karl , Maichle‐Mössmer Cäcilia , Speiser Bernd , Bettinger Holger F. 
Published: January 2020

AbstractThe properties as well as solid‐state structures, singlet fission, and organic field‐effect transistor (OFET) performance of three tetrafluoropentacenes (1,4,8,11: 10, 1,4,9,10: 11, 2,3,9,10: 12) are compared herein. The novel compounds 10 and 11 were synthesized in high purity from the corresponding 6,13‐etheno‐bridged precursors by reaction with dimethyl 1,2,4,5‐tetrazine‐3,6‐dicarboxylate at elevated temperatures. Although most of the molecular properties of the compounds are similar, their chemical reactivity and crystal structures differ considerably. Isomer 10 undergoes the orbital symmetry forbidden thermal [4+4] dimerization, whereas 11 and 12 are much less reactive. The isomers 11 and 12 crystallize in a herringbone motif, but 10 prefers π–π stacking. Although the energy of the first electric dipole‐allowed optical transition varies only within 370 cm−1 (0.05 eV) for the neutral compounds, this amounts to roughly 1600 cm−1 (0.20 eV) for radical cations and 1300 cm−1 (0.16 eV) for dications. Transient spectroscopy of films of 11 and 12 reveals singlet‐fission time constants (91±11, 73±3 fs, respectively) that are shorter than for pentacene (112±9 fs). OFET devices constructed from 11 and 12 show close to ideal thin‐film transistor (TFT) characteristics with electron mobilities of 2×10−3 and 6×10−2 cm2 V−1 s−1, respectively.