bluuebunny/crossref_metadata_2025_split huggingface dataset:
Neurobiologic Features of Fibromyalgia Are Also Present Among Rheumatoid Arthritis Patients
Authors: Basu Neil , Kaplan Chelsea M. , Ichesco Eric , Larkin Tony , Harris Richard E. , Murray Alison , Waiter Gordon , Clauw Daniel J. 
Published: February 2018

ObjectiveMany patients with rheumatoid arthritis (RA) report pain despite excellent control of inflammation with immunotherapies. Variable degrees of coexisting fibromyalgia (FM) may explain this disparity. FM has been characterized by aberrant brain functional connectivity, especially between the default mode network (DMN) and insula. We undertook this study to test the hypothesis that RA patients with the highest 2011 American College of Rheumatology FM survey criteria scores—a continuous measure of the degree of FM also known as “fibromyalgianess” (FMness)—would demonstrate functional connectivity abnormalities similar to those in FM.MethodsRA patients underwent an 11‐minute functional connectivity magnetic resonance imaging (MRI) brain scan and a clinical evaluation which included a measure of FMness. Brain networks were isolated from functional connectivity MRI data. Individual patient network‐to–whole brain connectivity analyses were then conducted, followed by group‐level regression, which correlated the connectivity of each network with FMness. Results were significant on the cluster level with a family‐wise error (FWE) rate P value less than 0.05 derived from an uncorrected voxel‐level P value less than 0.001.ResultsA total of 54 patients participated (mean age 54.9 years, 75.9% women, mean FMness score 13.2 [range 1–29]). From the whole brain analyses, a single significant positive correlation between DMN connectivity to the left mid/posterior insula and FMness (r = 0.58, FWE‐corrected P = 0.001) was demonstrated.ConclusionRA patients who have increased levels of FMness appear to share neurobiologic features consistently observed in FM patients. This study is the first to provide neuroimaging evidence that RA is a mixed pain state, with many patients’ symptoms being related to the central nervous system rather than to classic inflammatory mechanisms.
Drug Self‐Delivery Systems Based on Hyperbranched Polyprodrugs towards Tumor Therapy
Authors: Duan Xiao , Chen Jianxin , Wu Yalan , Wu Si , Shao Dongyan , Kong Jie 
Published: February 2018

AbstractAmphiphilic hyperbranched polyprodrugs (DOX‐S‐S‐PEG) with drug repeat units in hydrophobic core linked by disulfide bonds were developed as drug self‐delivery systems for cancer therapy. The hydroxyl groups and the amine group in doxorubicin (DOX) were linked by 3,3′‐dithiodipropanoic acid as hydrophobic hyperbranched cores, then amino‐terminated polyethylene glycol monomethyl ether (mPEG‐NH2) as hydrophilic shell was linked to hydrophobic cores to form amphiphilic and glutathione (GSH)‐responsive micelle of hyperbranched polyprodrugs. The amphiphilic micelles can be disrupted under GSH (1 mg mL−1) circumstance. Cell viability of A549 cells and 293T cells was evaluated by CCK‐8 and Muse Annexin V & Dead Cell Kit. The disrupted polyprodrugs maintained drug activity for killing tumor cells. Meanwhile, the undisrupted polyprodrugs possessed low cytotoxicity to normal cells. The cell uptake experiments showed that the micelles of DOX‐S‐S‐PEG were taken up by A549 cells and distributed to cell nuclei. Thus, the drug self‐delivery systems with drug repeat units in hydrophobic cores linked by disulfide bonds showed significant special advantages: 1) facile one‐pot synthesis; 2) completely without toxic or non‐degradable polymers; 3) DOX itself functions as fluorescent labeled molecule and self‐delivery carrier; 4) drug with inactive form in hyperbranched cores and low cytotoxicity to normal cells. These advantages make them excellent drug self‐delivery systems for potential high efficient cancer therapy.
Rethinking developmental toxicity testing: Evolution or revolution?
Authors: Scialli Anthony R. , Daston George , Chen Connie , Coder Prägati S. , Euling Susan Y. , Foreman Jennifer , Hoberman Alan M. , Hui Julia , Knudsen Thomas , Makris Susan L. , Morford LaRonda , Piersma Aldert H. , Stanislaus Dinesh , Thompson Kary E. 
Published: February 2018

BackgroundCurrent developmental toxicity testing adheres largely to protocols suggested in 1966 involving the administration of test compound to pregnant laboratory animals. After more than 50 years of embryo‐fetal development testing, are we ready to consider a different approach to human developmental toxicity testing?MethodsA workshop was held under the auspices of the Developmental and Reproductive Toxicology Technical Committee of the ILSI Health and Environmental Sciences Institute to consider how we might design developmental toxicity testing if we started over with 21st century knowledge and techniques (revolution). We first consider what changes to the current protocols might be recommended to make them more predictive for human risk (evolution).ResultsThe evolutionary approach includes modifications of existing protocols and can include humanized models, disease models, more accurate assessment and testing of metabolites, and informed approaches to dose selection. The revolution could start with hypothesis‐driven testing where we take what we know about a compound or close analog and answer specific questions using targeted experimental techniques rather than a one‐protocol‐fits‐all approach. Central to the idea of hypothesis‐driven testing is the concept that testing can be done at the level of mode of action. It might be feasible to identify a small number of key events at a molecular or cellular level that predict an adverse outcome and for which testing could be performed in vitro or in silico or, rarely, using limited in vivo models. Techniques for evaluating these key events exist today or are in development.DiscussionOpportunities exist for refining and then replacing current developmental toxicity testing protocols using techniques that have already been developed or are within reach.
Hochtemperaturverhalten neuartiger Betone
Authors: Pistol Klaus 
Published: February 2018

AbstractDie Bemessungsnorm für Stahlbeton‐ und Spannbetontragwerke DIN EN 1992‐1‐2 (EC 2‐1‐2) erlaubt die Anwendung von vereinfachten und allgemeinen Rechenverfahren für den Tragfähigkeitsnachweis im Brandfall (Heißbemessung). Als Grundlage für die Heißbemessung werden für Normalbeton und für Hochfesten Beton temperaturabhängige Spannungs‐Dehnungs‐Beziehungen angegeben, mit denen der Festigkeits‐ und Steifigkeitsverlust von Beton bei zunehmender Temperatur berücksichtigt wird. Im vorliegenden Aufsatz wird herausgearbeitet, dass die aktuelle betontechnologische Entwicklung und die damit einhergehende Diversifizierung in der stofflichen Zusammensetzung neuartiger Betone bei der Heißbemessung berücksichtigt werden muss. Die in dem Beitrag zusammengestellten temperaturabhängigen Druckfestigkeiten neuartiger Betone verdeutlichen den Einfluss der stofflichen Zusammensetzung auf das Hochtemperaturverhalten von Beton.
Relations between corporate economic performance, environmental disclosure and greenhouse gas emissions: New insights
Authors: Hassan Omaima A.G. , Romilly Peter 
Published: February 2018

AbstractThis study examines the associations and causations between corporate economic performance, environmental disclosure and greenhouse gas emissions, utilizing a large, longitudinal, multicountry dataset disaggregated between developed and developing countries. The methodology uses a simultaneous equation model with system estimation to deal with endogeneity between the variables, and Granger causality tests to indicate their direction of causation. A robust result is that lower emissions are strongly associated with better economic performance. After pretesting for stationarity, we find evidence of a one‐way causation from emissions and environmental disclosure to economic performance, but no evidence of reverse causation. We also find strong evidence of a one‐way causation from emissions to disclosure, but no evidence of reverse causation. The overarching policy implication is that environmental performance, as measured by greenhouse gas emissions, plays a crucial role in the formulation of business strategy at the firm level and government environmental policy at national and international levels.
Temperature Programmed Oxidation Coupled with In Situ Techniques Reveal the Nature and Location of Coke Deposited on a Ni/La2O3‐αAl2O3 Catalyst in the Steam Reforming of Bio‐oil
Authors: Ochoa Aitor , Valle Beatriz , Resasco Daniel E. , Bilbao Javier , Gayubo Ana G. , Castaño Pedro 
Published: February 2018

AbstractThe characterization of coke deposited on a Ni/La2O3‐αAl2O3 catalyst used in the steam reforming of bio‐oil has been studied by temperature programmed oxidation (TPO) coupled with different in situ techniques: thermogravimetry (TG), modulated thermogravimetry (MTG), FTIR spectroscopy with mass spectrometry (MS), Raman spectroscopy, and differential scanning calorimetry (DSC). The steam reforming of bio‐oil was carried out in a reactor equipment with two steps in series, comprising bio‐oil thermal treatment (500 °C) and subsequent reforming in a fluidized bed reactor (550–700 °C; and steam‐to‐carbon ratio, 1.5–6). TG/MS‐TPO experiments identify encapsulating and filamentous coke, and a more detailed analysis using other in situ techniques enable to characterize the nature and location of 4 types of coke: (i) an encapsulating coke with aliphatic nature placed in the most superficial layers; (ii) an encapsulating coke with higher aromatic nature in inner layers; (iii) the most superficial layers of a filamentous coke, further from active sites and with a more carbonized structure compared to encapsulating coke; and (iv) an innermost and mainly polyaromatic filamentous coke with a low oxygenates content.
Surface and Interface Engineering in Ag2S@MoS2 Core–Shell Nanowire Heterojunctions for Enhanced Visible Photocatalytic Hydrogen Production
Authors: Bai Lijie , Cai Xiaotong , Lu Jingjing , Li Luna , Zhong Shuxian , Wu Liang , Gong Peijun , Chen Jianrong , Bai Song 
Published: February 2018

AbstractAn Ag2S@MoS2 core–shell nanowire heterojunction, facilely synthesized by simultaneous sulfuration of Ag nanowires (NMs) and growth of MoS2, is used as a model system to disclose how the surface and interface structures influence the photocatalytic activity. The Ag2S@MoS2 NWs with different loading amounts of MoS2 are used as photocatalysts for H2 production. It is found that the highest photocatalytic activity is realized by a moderate loading amount of MoS2. A lower loading amount of MoS2 not only reduces the interfacial contact for insufficient electron–hole separation but also decreases the number of catalytic active sites for H2 production, while a higher loading amount of MoS2 increases the light‐shielding effect of Ag2S and extends the distance of electron transfer to the catalytic active sites for H2 production. Furthermore, with the same loading amount of MoS2, Ag2S@MoS2 NWs also exhibit superior H2 production activity in comparison with pre‐Ag2S@MoS2 NWs with MoS2 grown on pre‐synthesized Ag2S nanowires. The proposed reason is that the simultaneous sulfuration of Ag nanowires and growth of MoS2 results in an intimate contact between Ag2S and MoS2 for smooth interfacial charge transfer, while the two‐step synthetic method leads to a lower quality of the MoS2‐Ag2S interface and thus poor interelectron transfer. This work highlights the importance of a rational surface and interface design of semiconductor heterojunctions for realizing high‐performance photocatalytic applications.
The Impact of Salts Formed by the Neutralisation of (Ligno)Cellulose Hydrolysates on the Hydrogenation of Sugars
Authors: Hilgert Jakob , Lima Sérgio , Aho Atte , Eränen Kari , Murzin Dmitry Yu. , Rinaldi Roberto 
Published: February 2018

AbstractDilute acid hydrolysis of lignocellulose often requires a neutralisation step to utilise the hydrolysate's sugars. In this context, very little is known regarding the impact of low levels of acids or their corresponding salts produced by neutralisation on the catalyst performance in the hydrogenation of sugars. In this work, the influence of a series of ammonium and alkali metal salts (that is, NH4NO3, NaNO3, (NH4)2SO4, Na2SO4 and K2SO4) on the hydrogenation of glucose and xylose is addressed. This study also encompasses “real‐world” hydrolysates obtained by the mechanocatalytic depolymerisation of α‐cellulose and beechwood. The impact of low levels of acids and their salts upon the hydrogenation of sugars to sugar alcohols (alditols) was examined, in the presence of a commercial Ru/C catalyst (Ru/C, 0.7 wt % Ru) at 110 °C using batch and trickle‐bed reactors. The results show that the presence of salts leads to a considerable decrease in the alditols yields. Notably, salt anions exert an effect stronger than that of cations in the catalyst deactivation. Surprisingly, nitrates had a more significant effect on the decrease in the alditols yield than sulfates, and chlorides had the lowest impact. In this study, we also present the effect of sugars’ degradation products (e.g. 5‐(hydroxymethyl)furfural and furfural) upon hydrogenation of lignocellulose hydrolysates. The activated carbon pre‐treatments of the hydrolysates showed a positive effect on the catalyst activity, adsorbing hydrolysis by‐products. Overall, this study has significant implications for the practical aspects of hydrogenation of lignocellulose hydrolysates, which are often neglected in the current literature.
Systematic comparison and potential combination between multivariate curve resolution–alternating least squares (MCR‐ALS) and band‐target entropy minimization (BTEM)
Authors: Bertinetto Carlo Giuseppe , de Juan Anna 
Published: February 2018

AbstractThis work does a systematic comparative evaluation of 2 methods originating from different fields, both dedicated to the problem of curve resolution/unmixing: multivariate curve resolution–alternating least squares (MCR‐ALS) and band‐target entropy minimization (BTEM). The MCR‐ALS factorizes the data matrix into spectral and concentration profiles that satisfy constraints expressing physicochemical knowledge on the analyzed system. The BTEM reconstructs the pure components' spectral profiles as linear combinations of singular vectors that minimize the spectral entropy and contain specific peaks. Both methods were applied to 40 simulated and one real data set. The simulated data were generated from real spectral and concentration profiles that include different types of spectroscopy (mass spectrometry, Raman, and UV‐visible), data structures (random mixtures, images, and reaction system), and noise levels; the real data set was a Raman image of kidney calculus. For most data sets, both methods yielded accurate solutions, with a correlation between reference and resolved profiles >0.99. However, MCR‐ALS (here used with nonnegativity constraint only) was affected by rotational ambiguity in the recovery of spectral profiles coming from systems with high correlation or overlap in the concentration direction, whereas BTEM tended to distort UV‐visible spectra, a kind of measurement far in nature from low entropy conditions. MCR‐ALS solutions were more stable than BTEM to the increase in noise level. This work also explores the possibility of combining the 2 methods by performing them in sequence. The results show that this combination can significantly improve the outcome as compared to either method applied alone.
Learning Nature: Recyclable Monomers and Polymers
Authors: Lu Xiao‐Bing , Liu Ye , Zhou Hui 
Published: February 2018

AbstractRecycling processes (such as carbon, oxygen, nitrogen cycles etc.) occur each day as an essential character for nature. Managed ecosystems have maintained the natural environment in a state of great harmony for millions of years. In recent decades, various polymers with long‐term durability have been developed to be the most predominantly used materials, and have drastically changed the lifestyle of human beings. However, the tremendous growth of plastic debris, with no or very low degradability, over the past decades significantly affects the natural environment. The use of alternative recycling materials is the best option from the environmental point of view. This critical review highlights the most significant progress in chemically recyclable materials, especially several typical systems, which embody perfect recycling between polymers and the starting monomers.
An Efficient Amphiphilic‐Type Triphenylamine‐Based Organic Hole Transport Material for High‐Performance and Ambient‐Stable Dopant‐Free Perovskite and Organic Solar Cells
Authors: Reddy Saripally Sudhaker , Park Ho‐Yeol , Kwon Haeun , Shin Jongmoon , Kim Chang‐Su , Song Myungkwan , Jin Sung‐Ho 
Published: February 2018

AbstractA new set of simply structured triphenylamine‐based small molecules are synthesized and evaluated as dopant‐free hole transporting materials (HTMs) for high‐performance perovskite solar cells (PSCs) and bulk heterojunction inverted organic solar cells (BHJ IOSCs). Surprisingly, the new amphiphilic‐type HTM‐1 (with internal hydrophilic groups and peripheral hydrophobic alkyl tails) showed better compatibility and performance than the actual target molecule, that is, HTM‐2 in PSCs and BHJ IOSCs. Importantly, the HTM‐1‐based dopant‐free PSCs and BHJ IOSCs exhibited high power conversion efficiencies (PCEs) of 11.45 % and 8.34 %, respectively. These performances are superior and comparable to those of standard HTMs Spiro‐OMeTAD (2,2′,7,7′‐tetrakis(N,N‐di‐p‐methoxyphenylamine)‐9,9′‐spirobifluorene) and PEDOT:PSS (poly(3,4‐ethylenedioxythiophene)/polystyrene sulfonate) in PSCs and BHJ IOSCs, respectively. The enhanced device performance of the HTM‐1‐based PSCs is ascribed to its strong affinity towards the perovskite, properly aligned energy levels with respect to the perovskite valence band, and excellent hole transporting behavior. In addition, the well‐organized energy levels of the HTMs showed excellent compatibility in BHJ IOSCs. The new amphiphilic‐type HTM‐based photovoltaic devices also showed long‐term air stability over 700 h. These promising results offer new and unexpected prospects for engineering the interface between the photoactive material and HTMs in PSCs and BHJ IOSCs.
Magnetic Slow Relaxation in a Metal–Organic Framework Made of Chains of Ferromagnetically Coupled Single‐Molecule Magnets
Authors: Huang Gang , Fernandez‐Garcia Guglielmo , Badiane Insa , Camarra Magatte , Freslon Stéphane , Guillou Olivier , Daiguebonne Carole , Totti Federico , Cador Olivier , Guizouarn Thierry , Le Guennic Boris , Bernot Kevin 
Published: February 2018

AbstractWe report the study of a Dy‐based metal–organic framework (MOF) with unprecedented magnetic properties. The compound is made of nine‐coordinated DyIII magnetic building blocks (MBBs) with poor intrinsic single‐molecule magnet behavior. However, the MOF architecture constrains the MBBs in a one‐dimensional structure that induces a ferromagnetic coupling between them. Overall, the material shows a magnetic slow relaxation in absence of external static field and a hysteretic behavior at 0.5 K. Low‐temperature magnetic studies, diamagnetic doping, and ab initio calculations highlight the crucial role played by the Dy–Dy ferromagnetic interaction. Overall, we report an original magnetic object at the frontier between single‐chain magnets and single‐molecule magnets that host intrachain couplings that cancel quantum tunneling between the MBBs. This compound is evidence that a bottom‐up approach through MOF design can induce spontaneous organization of MBBs able to produce remarkable molecular magnetic materials.
RhII‐Catalyzed Intermolecular C−H Arylation of Aromatics with Diazo Quinones
Authors: Wu Kai , Cao Bei , Zhou Cong‐Ying , Che Chi‐Ming 
Published: February 2018

AbstractWe developed an efficient synthesis of biaryls by a dirhodium(II)‐catalyzed aromatic C−H arylation with diazo quinones. The new biaryl synthesis can be performed under mild and neutral conditions and without directing group chelation assistance. The reaction tolerates various functionalities and is applicable to a broad range of aromatics. The regioselectivity of the C−H arylation was often high and predictable. The synthetic utility of the method was demonstrated by the late‐stage modifications of a series of pharmaceuticals and functional materials as well as a short synthesis of a transthyretin amyloid inhibitor.
Chiral molecules adsorbed on a solid surface: Tartaric acid diastereomers and their surface explosion on Cu(111)
Authors: Rieger Alexandra , Sax Cédric , Bauert Tobias , Wäckerlin Christian , Ernst Karl‐Heinz 
Published: February 2018

AbstractThe adsorption of diastereoisomers of tartaric acid, namely, meso (R,S)‐tartaric acid, (R,R)‐tartaric acid, and the racemic mixture of (R,R) and (S,S) tartaric acid on the (111) surface of a copper single crystal has been studied by means of reflection‐absorption IR Spectroscopy, X‐ray photoelectron spectroscopy, low‐energy electron diffraction, and thermal desorption spectroscopy. Two distinct adsorption modes are identified for all three adsorbate systems. All molecules undergo an identical thermally induced autocatalytic decomposition reaction above 510 K. The pure enantiomers show 2D chiral long‐range ordered structures of opposite handedness.
Multiobjective optimization of microalgae (Chlorella sp.) growth in a photobioreactor using Box‐Behnken design approach
Authors: Hossain S. M. Zakir , Alnoaimi Abdullah , Razzak Shaikh A. , Ezuber Husny , Al‐Bastaki Nader , Safdar Mohammed , Alkaabi Salman , Hossain Mohammad M. 
Published: February 2018

AbstractThis study investigates a parameter optimization approach to maximize the specific growth rate of the Chlorella vulgaris microalgae species, its biomass productivity, and CO2 capture rate. For this purpose, the Box‐Behnken experimental design technique is applied with temperature, nitrogen to phosphorus ratio, and light‐dark cycle per day, as the growth controlling parameters. For each response, a quadratic model is developed separately describing the algal specific growth rate, biomass productivity, and CO2 capture rate, respectively. The maximum specific growth rate of 0.84 d−1 is obtained at 25 °C, with a nitrogen to phosphorus ratio of 3.4:1, and light‐dark cycles of 24/0 h. Maximum biomass productivity of 147.3 mg L−1 d−1 is found at 30 °C, with a nitrogen to phosphorus ratio of 3:1, and light‐dark cycles of 12/12 h. In addition, the maximum CO2 capture rate of 159.5 mg L−1 d−1 is also obtained at 30 °C, with a nitrogen to phosphorus ratio of 4:1, and light‐dark cycles of 23/1 h. Finally, a multi‐response optimization method is applied to maximize the specific growth rate, biomass productivity, and CO2 capture rate, simultaneously. The optimal set of 30 °C, a nitrogen to phosphorus ratio 3:1, and light‐dark cycles 16/8 h, provide the maximum specific growth rate of 0.66 per day, biomass productivity of 147.6 mg L−1 d−1, and CO2 capture rate of 141.7 mg L−1 d−1.