bluuebunny/crossref_metadata_2025_split huggingface dataset:
Laser‐induced modification and external pressureless joining Na2FeP2O7 on solid electrolyte
Authors: Hiratsuka Masafumi , Honma Tsuyoshi , Komatsu Takayuki 
Published: October 2020

AbstractNa2FeP2O7 (NFP) ceramics show potential application as the active material for sodium ion batteries. In this study, NFP ceramics were irradiated with infrared laser light with a wavelength of 1 µm. Fe2+ ions allowing local heating and resulting in instantaneous melting and rapid cooling for glass formation. The results of differential thermal analysis and X‐ray diffraction suggest that the laser‐irradiated part is vitrified and that rapid cooling is achieved to prevent recrystallization. It was possible to form a molten pattern withan output of 0.22 W and a scanning rate of up to 3mm/s of laser light. Irradiation of laser light on NFP powder on NASICON‐type Na3Zr2Si2PO12 solid electrolyte ceramic enabled the formation of a dense glassy NFP phase of several tenth‐micrometer depths on solid electrolyte ceramic. This technique is a promising process mainly for developing an oxide‐based all‐solid‐state battery because the contact interface can form instantaneously without external mechanical pressure.
Iminophosphorano‐Substituted Bispyridinylidenes: Redox Potentials and Substituent Constants from Tolman Electronic Parameters
Authors: Richard Nicholas A. , Khor Chun Keat , Hetherington Sydney M. , Mills Scott L. , Decken Andreas , Dyker C. Adam 
Published: October 2020

AbstractBispyridinylidenes (BPYs) have emerged as an important class of neutral organic electron donors, with redox potentials that vary widely with choice of substituent. Methods to predict the effect of substitution on the redox potential are therefore highly desirable. Here we show that the redox potential of BPYs featuring iminophosphorano substituents (R3P=N‐), which represent the most reducing class of BPYs, can be predicted based on the well‐known Tolman electronic parameter (TEP) for the respective phosphine fragment (R3P). Moreover, building on earlier work relating redox potentials to Hammett‐type substituent constants, it is now possible to quantitatively predict σp+values for iminophosphorano substituents from TEP values. These results provide a path for precisely tailoring redox potentials of iminophosphorano‐substituted BPYs, but also give quantitative descriptors for how these highly versatile iminophosphorano substituents can impact the properties of any molecular scaffold.
A Switchable Catalyst Duo for Acyl Transfer Proximity Catalysis and Regulation of Substrate Selectivity
Authors: Goswami Abir , Gaikwad Sudhakar , Schmittel Michael 
Published: October 2020

AbstractEnzymes are encoded with a gamut of information to catalyze a highly selective transformation by selecting the proper reactants from an intricate mixture of constituents. Mimicking biological machinery, two switchable catalysts with differently sized cavities and allosteric control are conceived that allow complementary size‐selective acyl transfer in an on/off manner by modulating the effective local concentration of the substrates. Selective activation of one of two catalysts in a mixture of reactants of similar reactivity enabled upregulation of the desired product.
The Potential of Hybrid Mechanistic/Data‐Driven Approaches for Reduced Dynamic Modeling: Application to Distillation Columns
Authors: Schäfer Pascal , Caspari Adrian , Schweidtmann Artur M. , Vaupel Yannic , Mhamdi Adel , Mitsos Alexander 
Published: October 2020

AbstractExtensive literature has considered reduced, but still highly accurate, nonlinear dynamic process models, particularly for distillation columns. Nevertheless, there is a need for continuing research in this field. Herein, opportunities from the integration of machine learning into existing reduction approaches are discussed. First, key concepts for dynamic model reduction and their limitations are briefly reviewed. Afterwards, promising model structures for reduced hybrid mechanistic/data‐driven models are outlined. Finally, crucial future challenges as well as promising research perspectives are presented.
Wasser – eine Anomalie in Experimenten
Authors: Luerßen Bjoern , Barth Heiko , Ries Marc , Hamscher Gerd , Over Herbert 
Published: October 2020

ZusammenfassungWasser zeigt trotz der Kleinheit und Einfachheit seiner molekularen Einheit H2O eine große Vielfalt von ungewöhnlichen physikalisch‐chemischen Eigenschaften, die durch die Polarität von H2O und die Wasserstoffbrückenbindungen bedingt sind. Die anomalen Eigenschaften fangen bei der ungewöhnlich hohen Siede‐ beziehungsweise Schmelztemperatur an, so dass Wasser auf der Erde in allen drei Aggregatzuständen natürlich vorkommt. Ohne flüssiges Wasser wäre Leben auf der Erde unvorstellbar. Mit ausgesuchten Experimenten nähern wir uns einigen der anomalen Eigenschaften von Wasser an wie etwa der erhöhten Wärmekapazität und ‐leitfähigkeit, dem Dichtemaximum des Wassers bei 4 °C, der Volumenvergrößerung beim Phasenübergang Flüssig/Fest und vielem mehr. Für die belebte Natur sind die Löslichkeitseigenschaften von Wasser von besonderer Bedeutung. Die Löslichkeit von polaren Stoffen in flüssigem Wasser ist aber Fluch und Segen zugleich bei der Trinkwassergewinnung und ‐aufreinigung. So ist der Eintrag von Nitrat ins Grundwasser durch Überdüngung landwirtschaftlicher Flächen ein ernstes Problem, das Vorsorge statt Nachsorge erfordert.
Smartglasses im Labor
Authors: Marquard Daniel , Porr Marc , Lange Ferdinand , Austerjost Jonas , Beutel Sascha 
Published: October 2020

ZusammenfassungSchutzbrillen müssen im Labor getragen werden, also warum diesen nicht einen Mehrwert geben? Der Vorteil an Smartglasses ist, dass der Träger digitale Informationen direkt im Sichtfeld eingeblendet bekommt, über Sprachkommandos durch diese navigieren kann und trotzdem beide Hände für die eigentliche Arbeit frei hat. Diese Stärke kommt bei der Durchführung von digitalen Workflows, dem Einsatz von wissenschaftlichen Apps und der Remote Maintenance besonders zum Tragen. Aktuell werden Smartglasses nur für Spezialanwendungen im Labor eingesetzt, die zeitlich begrenzt sind. Bevor ein flächendeckender Einsatz von Smartglasses möglich ist, müssen erst noch rechtliche und medizinische Fragestellungen geklärt werden. Um einen ganztägigen Einsatz im Labor zu ermöglichen, müssen sich Technologie und Tragekomfort der Smartglasses noch verbessern. Insbesondere in den voll digitalisierten Laboren, welche in der Zukunft entstehen werden, können Smartglasses ein sehr wertvolles und mächtiges Werkzeug für die tägliche Laborarbeit werden.
Optimization of medium‐chain‐length polyhydroxyalkanoate production by Pseudomonas putida KT2440 from co‐metabolism of glycerol and octanoate
Authors: Li Ying , Yang Songyuan , Jin Dayao , Jia Xiaoqiang 
Published: October 2020

AbstractIn this study, the co‐metabolism of glycerol and octanoate by Pseudomonas putida KT2440 significantly increased the production of medium‐chain‐length polyhydroxyalkanoate (mcl‐PHA). This was achieved through optimization of various parameters such as substrate concentration, nitrogen concentration, and other mixing conditions related to dissolved oxygen level. Experiments were performed in shake flasks and 5 L fermenter with findings assessed through single factor analysis and response surface methodology. The optimal concentration of substrates to improve mcl‐PHA production were determined to be 40 g glycerol/L, 12.23 g octanoate/L, and 1 g (NH4)2SO4/L. Indirect regulation of dissolved oxygen was achieved by controlling the mixing conditions such as the initial medium volume (50 mL) (shake flask experiment), agitation speed (500 rpm), and aeration rate (10 L/minutes) (fermenter experiment). Optimized process parameters resulted in an mcl‐PHA titer of 8.47 g/L, which was significantly higher than that observed under un‐optimized conditions (3.95 g/L). The response surface method can be efficiently used to determine the optimal level of several factors related to mcl‐PHA production.
A new method to determine the QRS axis—QRS axis determination
Authors: Gao Qijun , Dai Zhiguo , Hu Yingfu , Bie Fang , Yang Bo 
Published: October 2020

AbstractBackgroundThe development of a perfect method for determining the mean QRS axis (ÂQRS) is still lacking.HypothesisWe proposed a new simple method, whether this method is accurate is unknown.MethodsThe axis perpendicular to the mean QRS axis (P‐ÂQRS) divides six limb leads into two groups. All the leads that are in the range of 180° along the ÂQRS are positive, while all the leads in another 180° are negative, one lead is isodiphasic if it is on the P‐ÂQRS. If no lead is isodiphasic, then the P‐ÂQRS is located in the middle of two adjacent leads, which can help us determine the P‐ÂQRS. The six limb leads that fall in the range of −30° to 120° are as follows: aVL (−30°), I (0°), −aVR (30°), II (60°), aVF (90°), and III (120°). We can check an external lead (aVL or III) first. For example, if lead III is isodiphasic and lead aVF is positive, the P‐ÂQRS is 120°; if lead III is negative and lead aVF is positive, then the P‐ÂQRS is 105°. If more than one lead is negative, all such leads can be checked individually until a positive or isodiphasic lead is found. The ÂQRS can be easily decided once we know the P‐ÂQRS. In total, 200 recorded ECGs were investigated. We obtained the ÂQRS from our new method, computer interpretations, and a standard bipolar method. The Pearson correlation coefficient and Bland‐Altman analysis were performed.ResultsThe mean and SDs were remarkably similar, the correlation coefficient between the P‐ÂQRS method and the bipolar method was 0.976 (P < .001). Mean bias (Bland‐Altman limits of agreement) between the two methods was 0.885 (−12.37 to 14.14).ConclusionThe new method is simple and is able to assess the mean QRS axis accurately.
A Phase 1 Dose‐Escalation Study of Low‐Dose Metronomic Treatment With Novel Oral Paclitaxel Formulations in Combination With Ritonavir in Patients With Advanced Solid Tumors
Authors: de Weger Vincent A. , Vermunt Marit A.C. , Stuurman Frederik E. , Burylo Artur M. , Damoiseaux David , Hendrikx Jeroen J.M.A. , Sawicki Emilia , Moes Johannes J. , Huitema Alwin D.R. , Nuijen Bastiaan , Rosing Hilde , Mergui‐Roelvink Marja , Beijnen Jos H. , Marchetti Serena 
Published: October 2020

AbstractModraPac001 (MP1) and ModraPac005 (MP5) are novel oral paclitaxel formulations that are coadministered with the cytochrome P450 3A4 inhibitor ritonavir (r), enabling daily low‐dose metronomic (LDM) treatment. The primary aim of this study was to determine the safety, pharmacokinetics and maximum tolerated dose (MTD) of MP1/r and MP5/r. The second aim was to establish the recommended phase 2 dose (RP2D) as LDM treatment. This was an open‐label phase 1 trial. Patients with advanced solid tumors were enrolled according to a classical 3+3 design. After initial employment of the MP1 capsule, the MP5 tablet was introduced. Safety was assessed using the Common Terminology Criteria for Adverse Events version 4.02. Pharmacokinetic sampling was performed on days 1, 2, 8, and 22 for determination of paclitaxel and ritonavir plasma concentrations. In this study, 37 patients were treated with up to twice‐daily 30‐mg paclitaxel combined with twice‐daily 100‐mg ritonavir (MP5/r 30‐30/100‐100) in 9 dose levels. Dose‐limiting toxicities were nausea, (febrile) neutropenia, dehydration and vomiting. At the MTD/RP2D of MP5/r 20‐20/100‐100, the maximum paclitaxel plasma concentration and area under the concentration‐time curve until 24 hours were 34.6 ng/mL (coefficient of variation, 79%) and 255 ng • h/mL (coefficient of variation, 62%), respectively. Stable disease was observed as best response in 15 of 31 evaluable patients. Based on these results, LDM therapy with oral paclitaxel coadministrated with ritonavir was considered feasible and safe. The MTD and RP2D were determined as MP5/r 20‐20/100‐100. Further clinical development of MP5/r as an LDM concept, including potential combination treatment, is warranted.
Examining the relationship between agronomic performance and fiber quality in ten cotton breeding populations
Authors: Campbell B. Todd 
Published: October 2020

AbstractFuture cotton production systems need improved fiber quality to meet global market demands and provide the textile industry with high‐quality fiber. To achieve this, cotton (Gossypium hirsutum L.) breeding programs must develop cultivars that overcome the negative relationship between agronomic performance and fiber quality. Since 1935, the USDA‐ARS Pee Dee germplasm enhancement program has prioritized improving fiber quality while also maintaining or enhancing agronomic performance. Along with a number of other breeding programs, the Pee Dee program documented that the negative relationship between agronomic performance and fiber quality is most often caused by genetic linkage. Several of these breeding programs have demonstrated that the negative genetic linkage can be overcome. In this study, we test the hypothesis that three Pee Dee germplasm lines previously identified as rare recombinants can generate populations with a decreased negative relationship between agronomic performance and fiber quality. The results suggest that two of the three Pee Dee germplasm lines generate populations with a decreased negative relationship and presumably transmit beneficial allelic combinations for lint percent and fiber quality traits in coupling phase linkage with one another or fixed in offspring.
The relationship between integrated reporting and corporate environmental performance: A green trial
Authors: Omran Mohammed S. Y. , Zaid Mohammad A. A. , Dwekat Aladdin 
Published: October 2020

AbstractIntegrated reporting is a fairly recent phenomenon in the corporate reporting realm. Its dawn marks a new age of corporate reporting where financial and non‐financial information and their interrelation create an integrated and holistic approach for telling a value creation story. In tandem with this transformation, business sustainability in general and environmental performance, in particular, are also gaining prominence in the corporate landscape. This scholarly article investigates the relationship between integrated reporting and corporate environmental performance. A panel‐data is used to carry out the study using a sample of 110 firms listed on the Johannesburg Stock exchange for the years 2014–2018, where Integrated Reporting was first mandated. The empirical results are robust and consistent with our predictions in that integrated reporting is found positively associated with corporate environmental performance. Our findings pave the way for a new stream of literature on the transformation and the connectivity functions of integrated reporting.
A Combined Experimental–Theoretical Study on Diels‐Alder Reaction with Bio‐Based Furfural: Towards Renewable Aromatics
Authors: van Scodeller I , De Oliveira Vigier Karine , Muller Eric , Ma Changru , Guégan Frédéric , Wischert Raphael , Jérôme François 
Published: October 2020

AbstractThe synthesis of relevant renewable aromatics from bio‐based furfural derivatives and cheap alkenes is carried out by using a Diels‐Alder/aromatization sequence. The prediction and the control of the ortho/meta selectivity in the Diels‐Alder step is an important issue to pave the way to a wide range of renewable aromatics, but it remains a challenging task. A combined experimental‐theoretical approach reveals that, as a general trend, ortho and meta cycloadducts are the kinetic and thermodynamic products, respectively. The nature of substituents, both on the dienes and dienophiles, significantly impacts the feasibility of the reaction, through a modulation on the nucleo‐ and electrophilicity of the reagents, as well as the ortho/meta ratio. We show that the ortho/meta selectivity at the reaction equilibrium stems from a subtle interplay between charge interactions, favoring the ortho products, and steric interactions, favoring the meta isomers. This work also points towards a path to optimize the aromatization step.
First evidence of wasp brood development inside active nests of a termite with the description of a previously unknown potter wasp species
Authors: Hugo Helder , Hermes Marcel G. , Garcete‐Barrett Bolívar R. , Couzin Iain D. 
Published: October 2020

AbstractPotter wasps (Vespidae: Eumeninae) are known to exhibit not only sophisticated preying strategies but also a remarkable ability to manipulate clay during nest building. Due to a mixture of plasticity in building behavior and flexibility in substrate preferences during nest building, the group has been reported nesting in a variety of places, including decaying nests abandoned by termite species. Yet, evidence of wasps nesting inside senescent termite mounds is poorly reported, and to date, accounts confirming their presence inside active colonies of termites are absent. Here, we address a novel intriguing association between two species from the Brazilian Cerrado: a previously unknown potter wasp (nest invader) and a termite species (nest builder). Besides scientifically describing Montezumia termitophila sp. nov. (Vespidae: Eumeninae), named after its association with the termite Constrictotermes cyphergaster (Silvestri, 1901) (Termitidae: Nasutitermitinae), we provide preliminary information about the new species' bionomics by including (a) a hypothetical life cycle based on the evidence we collected and (b) a footage showing the first interaction between a recently ecloded wasp and a group of termites. In doing so, we attempt to provoke relevant discussions in the field and, perhaps, motivate further studies with the group. Finally, we describe a solution to efficiently detect and sample termitophilous species from termite nests, an intrinsic yet challenging task of any studies dealing with such a cryptic biological system.
MDMA Electrochemical Determination and Behavior at Carbon Screen‐printed Electrodes: Cheap Tools for Forensic Applications
Authors: Murilo Alves Gustavo , Soares Castro Alex , McCord Bruce Royston , de Oliveira Marcelo Firmino 
Published: October 2020

AbstractThis article describes a method that uses Carbon Screen‐printed Electrodes (C‐SPEs) to detect 3,4 – methylenedioxyamphetamine (MDMA) by Linear Sweep Voltammetry in aqueous medium. Major parameters of this technique were evaluated aiming improve the method sensibility. Amines interference were conducted in order to verify disturbs at the MDMA response. The method obtained a linear response from 1×10−5 mol L−1 to 1×10−4 mol L−1 with linear correlation coefficient of 0.996, Amperometric Sensitivity (AS) of 0.025 A×mol−1 L, Limit of Detection (LOD) of 1,83×10−6 mol L−1, and Limit of Quantification (LOQ) of 6,11×10−6 mol L−1. The method applicability, reproducibility and reproducibility were carried over inter/intra days tests and its application on seized samples.
Conflict in decision making and variation in public administration outcomes in Italy during the COVID‐19 crisis
Authors: Malandrino Anna , Demichelis Elena 
Published: October 2020

AbstractItaly has been heavily affected by the COVID‐19 pandemic. National and subnational authorities have introduced several measures to tackle the resulting crisis, including social distancing and restrictions on economic activities. However, as we will show in this contribution, such measures have sometimes resulted in uncertainty concerning the allocation of decision making powers along the central–local government continuum and regarding the exercise of administrative tasks by public authorities, thus producing conflict and variation within the policymaking and policy‐delivery processes in Italy. To show this, we review the relevant events that occurred during the pandemic in the country in light both of the literature on centralization and discretion and of the principles shaping the Italian legal system. Our analysis, based on a dialogue between political science and public law, allows us to read the Italian case as a mix of inadequate institutional coordination and insufficient and unclear central guidelines which ultimately produced uncertainty, which together had a direct impact on policymakers, policy‐deliverers, and citizens in general.
Are attention deficit hyperactivity disorder symptoms stable irrespective of recovery from eating disorders? A 1‐year follow‐up of adult females
Authors: Svedlund Nils Erik , Norring Claes , Ginsberg Ylva , von Hausswolff‐Juhlin Yvonne 
Published: October 2020

AbstractObjectiveTo explore the influence of recovery from eating disorders (ED) at 1‐year follow‐up on self‐reported attention deficit hyperactivity disorder (ADHD) symptoms in an unselected group of patients in a specialized ED clinic.MethodsFour hundred and eight adult females with an ED were assessed with the World Health Organization adult ADHD Self‐Report Scale‐Screener, and for comorbid psychiatric symptoms at baseline and 1‐year follow‐up. Recovery was registered at follow‐up.ResultsADHD symptoms decreased between baseline and follow‐up in recovered patients treated for bulimic ED. In not recovered patients, ADHD symptoms were stable. Decreased depressive symptoms were associated to decreased ADHD symptoms at 1‐year follow‐up.ConclusionsBulimic ED and ADHD are linked together. This link, although not known in every detail, has clinical implications with possible value for bulimic ED patients. Clinical studies exploring implementation of ADHD treatment strategies for Bulimia Nervosa are recommended.
Modeling the effect of saltation on surface layer turbulence
Authors: Huang Hao‐Jie 
Published: October 2020

AbstractParticle–turbulence interaction has been a research focus in the field of pneumatic transport, especially in aeolian environments. However, knowledge regarding the effect of saltating particles on the turbulence characteristics is very limited. In this article, a process of sand‐laden flow from forming sand streamers to stability is investigated via a coupled mathematical model of wind‐blown sand that includes the spatiotemporal development. The variations in the turbulence characteristics, such as the mean velocity and turbulence intensity in clean air or sand‐laden flow field, are analyzed. The results show that the splash process of sand grains near the wall decrease the wind speed in the saltation layer and destroy the low‐speed streaks. Moreover, the profiles of streamwise turbulence intensity exhibit a transition from ‘decreasing’ to ‘increasing’ and approximately intersect at an ‘intensity focus’, which is presented for the first time. Furthermore, it was found that saltating particles could enhance the Reynolds stress. Meanwhile, it was also noticed that the shear stress at the wall surface is greater than the impact threshold and that there is a tendency towards the impact threshold. Therefore, saltation makes the particle Reynolds number of sand‐laden flow higher than that under non‐saltation conditions, thus changing the particles’ effect on the turbulence intensity. Gravity‐dominated saltation is probably the most essential difference between wind‐blown sand and other traditional two‐phase flows. © 2020 John Wiley & Sons, Ltd.
What Is This Thing Called a Mechanism? Findings From a Review of Realist Evaluations
Authors: Lemire Sebastian , Kwako Alexander , Nielsen Steffen B. , Christie Christina A. , Donaldson Stewart I. , Leeuw Frans L. 
Published: October 2020

AbstractRealist evaluation has, over the past two decades, become a widely used approach in evaluation. The cornerstone of realist evaluation is to answer the question: What works, for whom, under what circumstances, and why. This is accomplished by explicating the causal mechanisms that, within a particular context, generate the outcomes of interest. Despite the central role of mechanisms in realist evaluation, systematic knowledge about how the term mechanism is conceptualized and operationalized is limited. The aim of the present chapter is to examine how mechanisms are defined and applied in realist evaluations. Informed by the findings of the review, further conceptual and practical developments for future applications of mechanisms in realist evaluation are considered.