bluuebunny/crossref_metadata_2025_split huggingface dataset:
Development and validation of volumetric absorptive microsampling coupled with UHPLC–MS/MS for the analysis of gamma‐hydroxybutyric acid in human blood
Authors: Mohamed Susan , Riva Roberto , Moresco Monica , Plazzi Giuseppe , Contin Manuela 
Published: December 2019

AbstractA volumetric microsampling (VAMS) device (20 μl) was evaluated and validated for the analysis of γ‐hydroxybutyric acid (GHB) in venous blood using a simple ultra‐high‐pressure liquid chromatography–tandem mass spectrometry (UHPLC–MS/MS) method. GHB was extracted from VAMS device by acetonitrile, after a re‐hydration step in a temperature‐controlled ultrasonic bath at 60°C for 10 min. Chromatographic analysis was carried out on a Kinetex C18 column using 0.1% formic acid in water and acetonitrile as binary gradient mobile phase (from 5 to 95% of acetonitrile from 1 to 2.5 min) at a flow rate of 0.3 ml/min. The VAMS method was fully validated according to current guidelines with satisfactory results in terms of linearity, selectivity, precision, absolute recovery, matrix effect and stability. The linearity was determined from 0.5 to 200 μg/ml and the lower limit of quantitation was 0.5 μg/ml. The novel VAMS–UHPLC–MS/MS method was successfully compared with plasma‐based method in a GHB‐treated patient as a proof of concept.
Cholesterol‐conjugated PEGylated PAMAM as an efficient nanocarrier for plasmid encoding interleukin‐12 immunogene delivery toward colon cancer cells
Authors: Pishavar Elham , Oroojalian Fatemeh , Ramezani Mohammad , Hashemi Maryam 
Published: December 2019

AbstractIL‐12 is a pleiotropic cytokine, which shows an ideal applicant for tumor immunotherapy, because of its features of creating an interconnection between innate (NK cells) and adaptive (cytotoxic T lymphocyte) immunity. IL‐12 gene therapy is a useful technique to deliver an immune‐modulatory gene directly into tumor site thereby limiting the adverse effects of systemic administration of IL‐12 proteins. One of the most largely investigated non‐viral gene carriers is polyamidoamine (PAMAM). In the current research, 5 and 3% of PAMAM primary amines were substituted to transmit the plasmid encoding IL‐12 gene to cells by cholesteryl chloroformate and alkyl‐PEG, respectively. The features of modified PAMAMs containing size and surface charge density, cytotoxicity, and transfection efficiency were investigated in colon cancer cells. in vitro experiment showed that this modified carrier with average size of about 160 nm and zeta potential of 30 mV was able to increase the level of IL‐12 production up to two folds as compared to that of the unmodified PAMAM. Improvement of the polymer hydrophobic balance along with of the modulation of the surface positive charge could provide an efficient and safe non‐viral IL‐12 gene for colon cancer immunogene therapy.
Evaluation of parallel programming teaching methodologies: On‐campus versus online methodologies
Authors: Cantabella Magdalena , Guillén Miguel Ángel , López Belén , Muñoz Andrés , Cecilia José M. 
Published: December 2019

AbstractContributionThis study reveals that the programming paradigm is relevant to obtain advanced programming skills.BackgroundParallel computing has become mandatory for computer science students. The increasing amount of computational resources required by emerging applications need experienced programmers that fully exploit hardware resources. However, the hardware platforms and programming languages to leverage them evolve at a dizzying pace, making very challenging for students the successful learning of the continuously changing high‐performance computing concepts.Research Questions(a) Is the learning curve of the programming language too steep to begin learning parallel programming fundamentals? (b) Are emergent learning methodologies making even more difficult to learn parallel programming in general?MethodologyIt is analyzed the main challenges for succeeding in parallel programming courses at the undergraduate level in two different learning modalities, namely on‐campus and online. It is analyzed the main tools available within a learning management system, showing their impact on online studies.FindingsOur results reveal that the steep learning curve for parallel programming is one of the main barriers to student success, leading to an early drop out of the subject. On‐campus studies mitigate this problem through a close relationship between students and educators. Online studies, however, do not have this tight relationship by its definition.
A teaching method for the theory and application of robot kinematics based on MATLAB and V‐REP
Authors: Zhou Dongxu , Xie Mingzuo , Xuan Pengcheng , Jia Ruiqing 
Published: December 2019

AbstractWith the continuous development of the world, robots are necessary for achieving high production rates and competitiveness. With an increasing robot demand, many universities offer robotics courses. These courses teach students the mathematical principles of robot‐related algorithms. However, it is difficult for students to apply pure mathematical algorithms in robotics to real robot development in a traditional classroom. This paper's motivation is to present a new robotics teaching method: Algorithm, Virtual experiment, Programming and Controller (AVPC), which shows students the steps of complete robot algorithm development, verification, and application process, taking the kinematics of an educational desktop 6‐DOF robotic arm as a typical teaching case. For the low‐cost educational desktop six‐axis robotic arm, an inverse kinematics algorithm is proposed. The inverse solution algorithm is realized in MATLAB, and then the dynamic model of the desktop robotic arm is established in Virtual Robot Experimentation Platform (V‐REP). The inverse kinematics algorithm in MATLAB is used to control the virtual robot arm movement in V‐REP to the specified position and orientation through the application programming interface (API) interface, thus verifying the correctness of the inverse kinematics algorithm. The inverse algorithm is implemented by using C language function in the microcontroller, and the running time of the algorithm is compared with that of the iterative solution method. In the present study, we investigated the students’ feelings and exam scores of using the new teaching method. The results show that the new teaching method has a significant impact on the improvement of students’ learning effect of robotics.
7,8‐Dihydro‐8‐oxoguanosine Lesions Inhibit the Theophylline Aptamer or Change Its Selectivity
Authors: Kiggins Courtney , Skinner Austin , Resendiz Marino J. E. 
Published: December 2019

AbstractAptamers are attractive constructs due to their high affinity/selectivity towards a target. Here 7,8‐dihydro‐8‐oxoguanosine (8‐oxoG) has been used, due in part to its unique H‐bonding capabilities (Watson–Crick or Hoogsteen), to expand the “RNA alphabet”. Its impact on the theophylline RNA aptamer was explored by modifying its binding pocket at positions G11, G25, or G26. Structural probing, with RNases A and T1, showed that modification at G11 leads to a drastic structural change, whereas the G25‐/G26‐modified analogues exhibited cleavage patterns similar to that of the canonical construct. The recognition properties towards three xanthine derivatives were then explored through thermophoresis. Modifying the aptamer at position G11 led to binding inhibition. Modification at G25, however, changed the selectivity towards theobromine (Kd≈160 μm), with a poor affinity for theophylline (Kd>1.5 mm) being observed. Overall, 8‐oxoG can have an impact on the structures of aptamers in a position‐dependent manner, leading to altered target selectivity.
Synergistic Amplification of Oxygen Generation in (Photo)Catalytic Water Splitting by a PEDOT/Nano‐Co3O4/MWCNT Thin Film Composite
Authors: Alsultan Mohammed , Choi Jaecheol , Wagner Pawel , Swiegers Gerhard F. 
Published: December 2019

AbstractAmplifying catalysis by thoughtful exploitation of synergistic effects with interacting supports is a new field of potentially great significance. It is particularly relevant for solar‐assisted reactions that are currently too poorly catalyzed to be practically viable, such as photoelectrochemical splitting of water to produce hydrogen and oxygen. In this work we describe synergistic amplification of water oxidation photoelectrocatalysis by the use of a thin layer electroactive polymer support. Coating of a bare Pt surface with a 0.98 μm thick film of poly(3,4‐ethylene‐dioxythiophene) (PEDOT) containing a specific molar ratio of nano‐Co3O4 (a water oxidation catalyst) and multi‐wall carbon nanotubes (oxidatively stable conductors) synergistically amplifies its rate of water oxidation catalysis by 15‐fold (under the most oxidizing conditions that can be applied to PEDOT without degradation; with light illumination of 0.25 sun). To the best of our knowledge, this film is the most active water oxidation catalyst yet reported under near‐neutral (pH 12) conditions as a proportion of the activity of Pt, which is the industry‐standard catalyst of the reaction.
Catalytic Steam Reforming of Natural Gas over a New Ni Exsolved Ruddlesden‐Popper Manganite in SOFC Anode Conditions
Authors: Vecino‐Mantilla Sebastián , Quintero Erika , Fonseca Camilo , Gauthier Gilles H. , Gauthier‐Maradei Paola 
Published: December 2019

AbstractThe catalytic behavior of the new Ni exsolved Ruddlesden‐Popper (RP) manganite (La1.5Sr1.5Mn1.5Ni0.5O7) for the reforming reaction was studied. The material was synthesized by the Pechini method and reduced to induce the formation of two phases: n=1 RP structure LaSrMnO4 decorated with Ni nanoparticles. Ni impregnation on (La,Sr)2MnO4 ceramic support of similar composition was also prepared for comparison. The catalytic measurements were carried out in a reduction‐reaction process with low steam to carbon content (S/C=0.15) at 700, 800 and 850 °C. The exsolved material exhibits a better performance than the impregnated for the methane steam reforming reaction, especially at 850 °C with higher conversion and H2 production rate. However, in light alkane gas mixtures (CH4−C2H6 and CH4−C3H8), the behavior is affected due to the competition between reactions and low available metallic active sites, without affecting the H2 production. The exceptional overall results considering this new material as a promising anode material in a SOFC fed with Colombian natural gas.
Nitrogen‐Doped Carbons with Hierarchical Porosity via Chemical Blowing Towards Long‐Lived Metal‐Free Catalysts for Acetylene Hydrochlorination
Authors: Kaiser Selina K. , Song Kyung Seob , Mitchell Sharon , Coskun Ali , Pérez‐Ramírez Javier 
Published: December 2019

AbstractPorous nitrogen‐doped carbons (NCs) are sustainable alternatives to the toxic mercury‐based acetylene hydrochlorination catalysts applied in the manufacture of polyvinyl chloride. However, the application of NCs as metal‐free catalysts is hampered by their insufficient durability under industrially relevant process conditions. In particular, pore blockage leads to accelerated deactivation of NCs compared to the state‐of‐the‐art precious metal‐based systems. Herein, we develop a salt template‐assisted synthesis strategy coupled with chemical blowing to tune the textural properties of NCs, while preserving the N‐content and speciation. The addition of metal salts (i. e., Mg(OAc)2 or CaCO3) enhances gas evolution, leading to an increased formation of micro‐ and mesopores, while the in‐situ generated CaO/CaCl2 and MgO/MgCl2 develop auxiliary pore networks. Micropores are easily blocked during acetylene hydrochlorination, but meso‐ and macropores are structurally stable, enhancing the lifetime of hierarchical NCs by ca. 50 times compared to their non‐templated analogues, rivaling the stability of benchmark metal‐based catalysts.
Pyrolytic Carbon Films with Tunable Electronic Structure and Surface Functionality: A Planar Stand‐In for Electroanalysis of Energy‐Relevant Reactions
Authors: Parker Joseph F. , So Christopher R. , Sassin Megan B. , Ko Jesse S. , Jeon Seokmin , Chervin Christopher N. , Lytle Justin C. , Helms Maya E. , Rolison Debra R. , Long Jeffrey W. 
Published: December 2019

AbstractFundamental charge‐transfer dynamics for technologically relevant carbons, such as disordered “hard” carbons, can be studied by designing planar mimics. We fabricate thin films of “pyrolytic carbon” (pyC) by decomposition of benzene at 1000 °C and examine the physical and electrochemical properties of the native pyC film, as well as variants after heteroatom doping, plasma oxidation, and metal nanoparticle modification. The pyC films are optically reflective at the macroscale, relatively planar (1–3 nm RMS roughness by atomic force microscopy) and disordered (via Raman scattering). Thiophenyl‐doped pyC films (0.6–1.7 atom % sulfur) suitably mimic the disorder, chemical state (X‐ray photoelectron spectroscopy), and work function (Kelvin probe) of a workhorse carbon black, Vulcan XC‐72. Using ferri/ferrocyanide as a redox probe, we find that oxygen functionalities enhance the heterogeneous electron‐transfer rate constant up to 3×, while high levels of sulfur dopants decrease the rate 2×. We also explore thiophenyl‐directed adsorption of Au nanoparticles and show that hydrogen evolution at 0.1 mA cm−2 occurs ∼95 mV more positive at <1 % Au@pyC∼S than at pyC∼S.
A Durable Na0.56V2O5 Nanobelt Cathode Material Assisted by Hybrid Cationic Electrolyte for High‐Performance Aqueous Zinc‐Ion Batteries
Authors: Gao Ping , Ru Qiang , Yan Honglin , Cheng Shikun , Liu Yang , Hou Xianhua , Wei Li , Chi‐Chung Ling Francis 
Published: December 2019

AbstractRechargeable aqueous Zn‐ion batteries (ZIBs) show attractive potential in energy storage devices on account of high safety and eco‐friendliness. Yet the lack of suitable cathode materials prevented the practical application of ZIBs. In our work, a Na0.56V2O5 (NVO) nanobelt cathode material has been fabricated via a hydrothermal reaction. The prepared NVO samples reveal an expanded layer spacing, assisted by the chemical intercalation of Na+ into the V2O5. Particularly, a mild hybrid cationic electrolyte (0.5HCE, containing 3 M ZnSO4 and 0.5 M Na2SO4) was employed to replace the traditional ZnSO4 electrolyte (ZE) in the Zn//NVO system. Owing to the enlarged interlayer spacing and the protective effect of 0.5HCE, the NVO cathode delivers a preferable capacity and good cyclic stability. More specifically, the NVO cathode in 0.5HCE displays a high initial discharge capacity of 317 mAh g−1 at 0.1 A g−1, and exhibits a good stability after 1000 cycles at the current density of 1 A g−1. Besides, the Zn//NVO battery also presents a favorable rate capability and a high reversibility. This study could provide new directions for the development of low‐cost zinc ion batteries.
MOF‐Derived Copper Nitride/Phosphide Heterostructure Coated by Multi‐Doped Carbon as Electrocatalyst for Efficient Water Splitting and Neutral‐pH Hydrogen Evolution Reaction
Authors: Wang Qijun , Zhang Zheye , Zhao Xuezhu , Xiao Junwu , Manoj Devaraj , Wei Feifei , Xiao Fei , Wang Hairen , Wang Shuai 
Published: December 2019

AbstractEfficient and robust electrocatalysts composed of earth‐abundant elements to replace noble metals is highly essential for cost‐effective production of hydrogen from water splitting. Herein, we demonstrate the fabrication of SO42− anions bridged MOF‐derived Cu3N−Cu3P heterostructure coated by ultrathin N, P, S‐tri‐doped carbon (NPSC) on nickel foam (Cu3N−Cu3P/NPSCNWs@NF) via an interface reconstruction strategy. The first‐principle simulation demonstrates that both Cu3N, Cu3P and NPSC own good electrical conductivity, suggesting these species can lead to efficient electrocatalytic performance. The remarkable features of high intrinsic conductivity and interfacial heterostructures at Cu3N−Cu3P/NPSCNWs@NF have ensured excellent water splitting electrocatalytic activity with a low potential of 1.54 V at 10 mA cm−2 in 1 M KOH over 24 h, and additionally the resultant electrode exhibits impressive response for HER with an ultralow potential of 109 mV at 10 mA cm−2 in neutral‐pH media over 30 h.
A Comparative Study on the Thermodynamics of Halogen Bonding of Group 10 Pincer Fluoride Complexes
Authors: Joksch Markus , Agarwala Hemlata , Ferro Monica , Michalik Dirk , Spannenberg Anke , Beweries Torsten 
Published: December 2019

AbstractThe thermodynamics of halogen bonding of a series of isostructural Group 10 metal pincer fluoride complexes of the type [(3,5‐R2‐tBuPOCOPtBu)MF] (3,5‐R2‐tBuPOCOPtBu=κ3‐C6HR2‐2,6‐(OPtBu2)2 with R=H, tBu, COOMe; M=Ni, Pd, Pt) and iodopentafluorobenzene was investigated. Based on NMR experiments at different temperatures, all complexes 1‐tBu (R=tBu, M=Ni), 2‐H (R=H, M=Pd), 2‐tBu (R=tBu, M=Pd), 2‐COOMe (R=COOMe, M=Pd) and 3‐tBu (R=tBu, M=Pt) form strong halogen bonds with Pd complexes showing significantly stronger binding to iodopentafluorobenzene. Structural and computational analysis of a model adduct of complex 2‐tBu with 1,4‐diiodotetrafluorobenzene as well as of structures of iodopentafluorobenzene in toluene solution shows that formation of a type I contact occurs.
Enantioselective Synthesis of a Tricyclic, sp3‐Rich Diazatetradecanedione: an Amino Acid‐Based Natural Product‐Like Scaffold
Authors: Bischoff Matthias , Mayer Peter , Meyners Christian , Hausch Felix 
Published: December 2019

Abstract6‐, 7‐, and 8‐membered rings are assembled from a linear precursor by successive cyclisation reactions to construct a tricyclic diazatricyclo[6.5.1.04, 9]‐tetradecanedione scaffold. Advanced building blocks based on d‐aspartic acid and l‐pyroglutamic acid were combined by a sp3−sp2 Negishi coupling. A carbamate‐guided syn‐diastereoselective epoxidation followed by an intramolecular epoxide opening allowed the construction of the piperidine ring. An efficient one‐pot hydroxyl‐group protection twofold deprotection reaction prepared the ground for the cyclisation to the bicycle. A final deprotection of the orthogonal protecting groups and lactamisation led to the novel, sp3‐rich tricycle. The final compound is a substrate mimic of peptidyl‐prolyl cis‐trans isomerases featuring a locked trans‐amide bond. Cheminformatic analysis of 179 virtual derivatives indicates favourable physicochemical properties and drug‐like characteristics. As proof of concept we, show a low micromolar activity in a fluorescence polarisation assay towards the FK506‐binding protein 12.
Titanium‐Mediated Catalytic Hydrogenation of Monocyclic and Polycyclic Arenes
Authors: Gómez‐Torres Alejandra , Aguilar‐Calderón J. Rolando , Encerrado‐Manriquez Angela M. , Pink Maren , Metta‐Magaña Alejandro J. , Lee Wen‐Yee , Fortier Skye 
Published: December 2019

AbstractTwo electron‐reduction of the TiIV guanidinate complex (ImDippN)(Xyketguan)TiCl2 gives (η6‐ImDippN)(xyketguan)Ti (1intra) and (ImDippN)(Xyketguan)Ti(η6‐C6H6) (1inter) (Xyketguan=[(tBuC=N)C(NXylyl)2]−, Xylyl=2,5‐dimethylphenyl) in the absence or presence of benzene, respectively. These complexes have been found to hydrogenate monocyclic and polycyclic arenes under relatively mild conditions (150 psi, 80 °C)—the first example of catalytic, homogeneous arene hydrogenation with TON >1 by a Group IV system.
Integrating assessment of cognitive status in elderly cardiovascular care
Authors: Gorodeski Eiran Z. , Hashmi Ardeshir Z. 
Published: December 2019

AbstractCardiovascular clinicians tend to pay little attention to issues related to cognition, and yet those caring for older adults will encounter a variety of conditions that may lead to cognitive impairment. Most commonly, these include cardiovascular disease‐specific conditions such as cerebrovascular disease or heart failure, but may also include neurodegenerative conditions, mood disorders, medication side effects and polypharmacy, and nutritional deficiencies and metabolic derangements among others. This review presents evidence supporting the importance of assessing cognitive status in older adults with cardiovascular disease, and suggests a practical approach to assessment and management of cognitive impairment in this population when it is found. Special attention is paid to the importance of collaboration between cardiovascular and geriatric specialists, and the value it may bring to patients.
Design of Organic Structure‐Directing Agents for the Controlled Synthesis of Zeolites for Use in Carbon Dioxide/Methane Membrane Separations
Authors: Daeyaert Frits , Deem Michael W. 
Published: December 2019

AbstractOne strategy to mitigate global warming is carbon capture and sequestration. Membrane separation is one promising approach to separation of CO2 from feed streams. Here we report the investigation of four zeolites that have been predicted to be effective at separating CO2 from methane, but which have not to date been synthesized experimentally as membranes. Using an in silico de novo design procedure, we identify organic structure‐directing agents (OSDAs) that are predicted to aid the synthesis of these zeolites. Using a genetic algorithm approach, we designed OSDAs for zeolites for which no purely siliceous form is known, and we also designed OSDAs for predicted zeolites. Stabilization energies of the best OSDAs designed for the zeolites GIS, ABW, and predicted zeolite 8198030 lie within −8 to −12 kJ/(mol Si), in the range of values for other known OSDAs. Stabilization energies of the OSDAs designed for predicted zeolite 8186909 are −16 kJ/(mol Si), comparable to the best known OSDAs for any zeolite. The OSDAs reported here may lead to zeolites that could enable a practical separation of CO2 from methane.
Board characteristics and integrated reporting quality: an agency theory perspective
Authors: Vitolla Filippo , Raimo Nicola , Rubino Michele 
Published: December 2019

AbstractIntegrated reporting is the latest novelty in the corporate reporting field. It is a tool capable of better representing the capacity of companies to create value over time. In recent years, attention to this new reporting tool has grown in both professional and academic fields. However, despite past research that has analysed many aspects of integrated reporting, the integrated reporting quality and its determinants are still little explored. This study aims to fill this gap by analysing the effect of board characteristics on integrated reporting quality according to an agency theory approach. The findings, based on a sample of 134 international firms, show a positive relationship between the size, independence, diversity, and activity of a board with integrated reporting quality. This study contributes to enriching literature in this area in various ways. First, it broadens the scope of application of agency theory; second, it identifies further internal determinants of integrated reporting quality. This is the first study that analyses the impact of the characteristics of a board as a determining factor of integrated reporting quality.
BO_CEM: A novel CEM platform
Authors: Torjemen Nabil , Tabbane Nabil 
Published: December 2019

SummaryIn this paper, we present our novel platform called Bo_CEM. It is composed of three levels: QoE Data Sources, QoE Monitoring System, and QoE Management System. The QoE Data Sources is an umbrella retrieving information from all sources. The monitoring systems are based on fuzzy logic in order to design a novel unique value called QoE score which is our main contribution as it uses customer profile indicators in addition to network KPIs. Finally, the QoE Management System is a high level of decision using the QoE Score as decision metric. The utility of the model is validated via three cases: The first one consists on the enhancement of the troubleshooting prioritization process for NOC Teams. The use of our new approach leads to increasing the operator's profit while customers still satisfied by the expected QoS. The second used case presents a new approach for SON Mobility Load Balancing. It allows the enhancement of the traffic load over network and increases the average QoE_score per e‐NodeB. In the last case, our novel metric called QoE_Score is used to evaluate the QoE perceived by Wi‐Fi customers in order to alleviate the LTE‐A network and route traffic to Wi‐Fi network.