bluuebunny/crossref_metadata_2025_split huggingface dataset:
Chemie in der Sprache: Gierige Atome und gesellige Prozesse
Authors: Romstadt Jonas Konstantin , Martens Jürgen 
Published: March 2020

AbstractIn journalistischen und auch wissenschaftlichen Texten mit chemischem Inhalt ist zuweilen die Redewendung „die Chemie stimmt“ zu lesen. Sie unterscheidet sich von anderen plakativen Aussagen und Werbebotschaften, in denen die Chemie negativ erscheint. Seit wann „stimmt“ also „die Chemie“ und: Was passiert eigentlich, wenn dies nicht mehr der Fall ist? Hinweise geben Zeitungen und literarische Werke.
Analysentechnik: Vom lernenden Sensor bis zur Spektrenvorhersage
Authors: Ehrensberger Christian 
Published: March 2020

AbstractKalibrieren schaffen Analysengeräte heute ohne menschliches Zutun. Bildgebende Systeme sortieren schlechte Produkte aus oder beurteilen ganze Chargen. Durch Abgleich mit Spektrenbibliotheken lassen sich Störsubstanzen schnell identifizieren, und für unbekannte Substanzen sagen Computermodelle das Infrarotspektrum vorher.
Zukunftsthemen, Forschungsdaten, Internationalisierung
Authors: Karger Gerhard 
Published: March 2020

AbstractZur zweitägigen Beratung mit dem GDCh‐Präsidenten kamen 27 Repräsentanten von GDCh‐Fachgruppen und ‐Arbeitsgemeinschaften, ein Vertreter des JungChemikerForums sowie Mitarbeiter der GDCh‐Geschäftsstelle Ende Oktober 2019 im Exerzitienhaus Himmelspforten in Würzburg zusammen.
An effective evidence‐based cleaning method for the safe reuse of intermittent urinary catheters: In vitro testing
Authors: Wilks Sandra A. , Morris Nicola S. , Thompson Richard , Prieto Jacqui A. , Macaulay Margaret , Moore Katherine N. , Keevil C. William , Fader Mandy 
Published: March 2020

AbstractAimsTo determine a safe bactericidal cleaning method that does not damage urethral catheters used for intermittent catheterization. In some countries, single‐use catheters are the norm; in others, the reuse of catheters is common depending on health insurance, personal preference, or individual concerns about the environment. However, no recent study of cleaning methods has been published to provide evidence for the safe reuse of catheters.MethodsUsing advanced microbiological methods, a laboratory study of eight cleaning methods was conducted. Sections of uncoated polyvinylchloride (PVC) catheters were exposed to bacterial uropathogens in physiologically correct artificial urine media then tested with a range of heat, chemical, and mechanical cleaning methods. Analysis of culturable and viable but nonculturable (VBNC) bacteria was done and direct microscopy was used. Descriptive statistics were used to compare values.ResultsHeat treatments, although effective, resulted in catheter surface breakdown and damage. Ultrasonic cleaning and vinegar showed evidence of VBNC populations indicating the methods were bacteriostatic. Detergent and water wash followed by immersion in a commercially available 0.6% sodium hypochlorite solution and 16.5% sodium chloride (diluted Milton) gave consistent bactericidal results and no visible catheter damage.ConclusionsCombined mechanical and chemical treatment of a detergent and water wash followed by immersion in diluted Milton (the “Milton Method”) provided consistent and effective cleaning of uncoated PVC catheters, showing bactericidal action for all uropathogens tested after repeated exposure. If found safe in clinical testing, this method could increase the reuse of catheters, reduce plastic waste in the environment, reduce cost, and increase patient choice.
N,O‐Nucleoside Analogues: Metabolic and Apoptotic Activity
Authors: Marraffa Andrea , Presenti Piero , Macchi Beatrice , Marino‐Merlo Francesca , Mella Mariella , Quadrelli Paolo 
Published: March 2020

AbstractTwo new families of N,O‐nucleoside analogues containing the anthracene moiety introduced through the nitrosocarbonyl ene reaction with allylic alcohols were prepared. The core structure is an isoxazolidine heterocycle that introduces either atom either a phenyl ring or dimethyl moiety at the C3 carbon. Different heterobases were inserted at the position 5 of the heterocyclic ring. One of the synthesized compounds demonstrated a good capacity to induce cell death and an appreciable nuclear fragmentation was evidenced in treated cells.
Initial in vivo testing of a multitarget kinase inhibitor, regorafenib, by the Pediatric Preclinical Testing Consortium
Authors: Harrison Douglas J. , Gill Jonathan D. , Roth Michael E. , Zhang Wendong , Teicher Beverly , Erickson Stephen , Gatto Greg , Kurmasheva Raushan T. , Houghton Peter J. , Smith Malcolm A. , Kolb Edward Anders , Gorlick Richard 
Published: March 2020

AbstractBackgroundRegorafenib is a small molecule multikinase inhibitor that inhibits multiple kinases including BRAF, KIT, PDGFRB, RAF, RET, and VEGFR1‐3.ProceduresThe in vivo anticancer effects of regorafenib were assessed in a panel of six osteosarcoma models, three rhabdomyosarcoma models, and one Ewing sarcoma model.ResultsRegorafenib induced modest inhibition of tumor growth in the models evaluated.ConclusionThe overall pattern of response to regorafenib appears similar to that of the kinase inhibitor sorafenib, with pronounced slowing of tumor growth in some models, limited to the period of agent administration, being the primary treatment effect.
Design, synthesis and evaluation of E2‐25K derived stapled peptides
Authors: Watson Morag E. , Scott Daniel , Jamieson Craig , Layfield Robert , Mason Andrew M. 
Published: March 2020

AbstractStabilised peptides are now established as potential drug candidates to probe previously intractable molecular targets, such as protein‐protein interactions. Herein, we report the design and synthesis of eight short helical peptide analogues of the ubiquitin conjugating enzyme, E2‐25K, as potential antagonists of the interaction between E2‐25K and the Alzheimer's Disease (AD) associated ubiquitin mutant Ubb + 1. Biochemical evaluation revealed four putative antagonists of the Ubb + 1/E2‐25K interaction that reduced incorporation of Ubb + 1 into polyubiquitin chains in vitro, validating the potential of this approach as a therapeutic strategy.
Isotopic fractionation during acid digestion of calcite: A combined ab initio quantum chemical simulation and experimental study
Authors: Pramanik Chirantan , Chatterjee Swastika , Fosu Benjamin R. , Ghosh Prosenjit 
Published: March 2020

RationaleCarbonate clumped isotope analysis involves the reaction of carbonate minerals with phosphoric acid to release CO2 for measurement in a gas‐source isotope ratio mass spectrometer. Although the clumped isotope proxy is based on the temperature dependence of 13C–18O bonding preference in the mineral lattice, which is captured in the product CO2, there is limited information on the phosphoric acid reaction mechanism and the magnitude of clumped isotopic fractionation (mass 63 in CO32− to mass 47 in CO2) during the acid digestion.MethodsWe studied the reaction mechanism for the phosphoric acid digestion of calcite using first‐principles density functional theory. We identified the transition state structures for each reaction involving different isotopologues and used the corresponding vibrational frequencies in reduced partition function theory to estimate the Δ47 acid fractionation. Experimental Δ47 data were acquired by processing the sample CO2 gas through the dual‐inlet peripheral of a ThermoFinnigan MAT253 isotope ratio mass spectrometer.ResultsWe showed that the acid digestion reaction, which results in the formation of CO2 enriched with 13C–18O bonds, began with the protonation of calcium carbonate in the presence of water. Our simulations yielded a relationship between the Δ47 acid fractionation and reaction temperature as Δ47 = −0.30175 + 0.57700 × (105/T2) – 0.10791 × (105/T2)2, with T varying between 298.15 and 383.15 K.ConclusionsWe propose a reaction mechanism that shows a higher slope (Δ47 acid fractionation vs. 1/T2 curve) for the phosphoric acid digestion of calcite than in previous studies. The theoretical estimates from the present and earlier studies encapsulate experimental observations from both “sealed vessel” and “common acid bath” acid digestion methods.
Cauliflower‐Like Hierarchical Porous Nickel/Nickel Ferrite/Carbon Composite as Superior Bifunctional Catalyst for Lithium‐Air Battery
Authors: Athika Mattath , Devi Vaithiyanathan Sankar , Elumalai Perumal 
Published: March 2020

AbstractRational design of cost‐effective oxygen electrode catalysts for metal‐air batteries is indispensable for developing next‐generation energy storage devices especially to use in electric vehicles. In this work, non‐precious Nickel/Nickel Ferrite on carbon matrix (NNFOC) nanocomposite as bifunctional air‐breathing electrode for rechargeable Li‐air battery is proposed. The NNFOC composite on rotating ring disc electrode (RRDE) exhibited good oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) activities. The synergistic contribution from Ni, nickel ferrite and porous carbon network that resulted more reaction sites, high conductivity and fast diffusion pathways, lead to enhanced ORR and OER activities. The CR‐2032 coin‐type and conventional split cell Li‐air battery were fabricated using the NNFOC composite as air‐breathing oxygen electrode and lithium metal as anode. The open‐circuit voltage of the coin cell was invariant for more than 5 days, while the split cell exhibited high discharge capacity of 3820 mAh g‐1 at a current density of 50 mA g‐1. The charged split cell could power a commercial 2.8 V LED bulb for more than 5 h continuously.
Enhanced Oxygen Reduction Reaction by Pd‐Pt Alloy Catalyst with Stabilized Platinum Skin
Authors: Swami Anita , Patil Indrajit , Lokanathan Moorthi , Ingavale Sagar , Kakade Bhalchandra 
Published: March 2020

AbstractReducing the consumption of precious Platinum (Pt) metal by alloying with other transition metals or searching a new low cost, Pt‐free catalyst with the activity and durability higher than the state‐of‐the‐art Pt/C catalyst are the two possible approaches to accelerate the practical application of low temperature fuel cells. Herein we investigate the oxygen reduction reaction (ORR) electrocatalytic activity (1023 μA cm−2.Pt; 5 times higher than commercial Pt/C) and the corrosion stability of novel “Pt skin@PdPt” nanostructures in acidic media. An interesting trend of increment in the ORR activity with durability cycles has been found indicating a systematic surface rearrangement in “Pt skin@PdPt”. A systematic enhancement in the ORR activity from an initial value of 1023 μA cm−2.Pt to 1448 μA cm−2.Pt after 30,000 durability cycles has been observed indicating stable nature of low Pt content Pt skin@PdPt electrocatalyst. More than seven times (1448 μA cm−2.Pt) higher activity against the state‐of‐the‐art Pt/C catalyst has been seen with an electrochemical surface area (ECSA) of ∼97 m2 g−1.Pt, even after 30,000 potential cycles.
Effect of rotor–tower interaction, tilt angle, and yaw misalignment on the aeroelasticity of a large horizontal axis wind turbine with composite blades
Authors: Santo Gilberto , Peeters Mathijs , Van Paepegem Wim , Degroote Joris 
Published: March 2020

AbstractThis paper presents a detailed analysis of the rotor–tower interaction and the effects of the rotor's tilt angle and yaw misalignment on a large horizontal axis wind turbine. A high‐fidelity aeroelastic model is employed, coupling computational fluid dynamics (CFD) and structural mechanics (CSM). The wind velocity stratification induced by the atmospheric boundary layer (ABL) is modeled. On the CSM side, the complex composite structure of each blade is accurately modeled using shell elements. The rotor–tower interaction is analyzed by comparing results of a rotor‐only simulation and a full‐machine simulation, observing a sudden drop in loads, deformations, and power production of each blade, when passing in front of the tower. Subsequently, a tilt angle is introduced on the rotor, and its effect on blade displacements, loads, and performance is studied, representing a novelty with respect to the available literature. The tilt angle leads to a different contribution of gravity to the blade deformations, sensibly affecting the stresses in the composite material. Lastly, a yaw misalignment is introduced with respect to the incoming wind, and the resulting changes in the blade solicitations are analyzed. In particular, a reduction of the blade axial displacement amplitude during each revolution is observed.
Continuous authentication using biometrics: An advanced review
Authors: Dahia Gabriel , Jesus Leone , Pamplona Segundo Maurício 
Published: March 2020

AbstractThe shortcomings of conventional access control systems for high‐security environments have led to the concert of continuous authentication. Contrary to traditional verification, in which users are authenticated only once at the start of their session, continuous authentication systems regularly check users' identities to prevent hijackings. The challenges in this area involve balancing the security of protected assets by quickly detecting intruders with the system usability for genuine users. Biometric recognition plays a major role within this context, as it is the main way to assure that users are who they claim to be. A comparative analysis of the latest works revealed different aspects of this problem. First, some biometrics traits among those applied for continuous authentication are more suitable for this task than others. Second, systems combining multiple traits have advantages over those relying on a single one. Finally, many works fail to report proper evaluation metrics. With this in mind, we were able to identify new opportunities for researchers in the field. We highlight the potential for mining new datasets on the internet, which would benefit validation and benchmarking, and how recent deep learning techniques could address some of the open challenges in the area.This article is categorized under:
Technologies > Prediction
Technologies > Machine Learning
Application Areas > Science and Technology
Two-loop conformal invariance for Yang-Baxter deformed strings
Authors: Borsato Riccardo , Wulff Linus 
Published: March 2020

Abstract
The so-called homogeneous Yang-Baxter (YB) deformations can be considered a non-abelian generalization of T-duality-shift-T-duality (TsT) transformations. TsT transformations are known to preserve conformal symmetry to all orders in α′. Here we argue that (unimodular) YB deformations of a bosonic string also preserve conformal symmetry, at least to two-loop order. We do this by showing that, starting from a background with no NSNS-flux, the deformed background solves the α′-corrected supergravity equations to second order in the deformation parameter. At the same time we determine the required α′-corrections of the deformed background, which take a relatively simple form. In examples that can be constructed using, possibly non-commuting sequences of, TsT transformations we show how to obtain the first α′-correction to all orders in the deformation parameter by making use of the α′-corrected T-duality rules. We demonstrate this on the specific example of YB deformations of a Bianchi type II background.
New R-matrices with non-additive spectral parameters and integrable models of strongly correlated fermions
Authors: Zhang Yao-Zhong , Werry Jason L. 
Published: March 2020

Abstract
We present a general formula for constructing R-matrices with non-additive spectral parameters associated with a type-I quantum superalgebra. The spectral parameters originate from two one-parameter families of inequivalent finite-dimensional irreducible representations of the quantum superalgebra upon which the R-matrix acts. Applying to the quantum superalgebra Uq(gl(2|1)), we obtain the explicit expression for the Uq(gl(2|1))− invariant R-matrix which is of non-difference form in spectral parameters. Using this R­ matrix we derive a new two-parameter integrable model of strongly correlated electrons with pure imaginary pair hopping terms.
The quest for purely virtual quanta: fakeons versus Feynman-Wheeler particles
Authors: Anselmi Damiano 
Published: March 2020

Abstract
The search for purely virtual quanta has attracted interest in the past. We consider various proposals and compare them to the concept of fake particle, or “fakeon”. In particular, the Feynman-Wheeler propagator, which amounts to using the Cauchy principal value inside Feynman diagrams, violates renormalizability, unitarity and stability, due to the coexistence of the prescriptions ±iE. We contrast the Feynman, fakeon and Feynman- Wheeler prescriptions in ordinary as well as cut diagrams. The fakeon does not have the problems of the Feynman-Wheeler propagator and emerges as the correct concept of purely virtual quantum. It allows us to make sense of quantum gravity at the fundamental level, and places it on an equal footing with the standard model. The resulting theory of quantum gravity is perturbative up to an incredibly high energy.
Effects of heat treatment on thermal properties of European beech wood
Authors: Czajkowski Łukasz , Olek Wiesław , Weres Jerzy 
Published: March 2020

AbstractBeech wood, due to its properties, is one of the most versatile and successfully used construction materials. The wood properties could even be improved, and among different wood modification processes, the thermal modification approach is usually considered as an environment-friendly technology based only on the heat and water application during wood treatment. Changes in material properties resulting from the thermal treatment of wood increase applicability of this material, but on the other hand, detailed knowledge of the modified properties is definitely necessary for the proper application of such materials to construction engineering. Unfortunately, credible data on thermal characteristics of thermally modified wood are usually provided in a very limited way, and there is no information on specific heat in particular. An original calorimetric method was used to determine the specific heat of untreated and thermally modified European beech wood (Fagus sylvaticaL.). The inverse modeling was implemented to estimate the anisotropic thermal conductivity, and significant differences were found for the radial and tangential directions. The thermal modification highly influenced the increase in the thermal conductivity in the longitudinal direction. The validation procedure showed credibility of the applied methods, and it is clear that modeling of heat transfer in thermally modified wood leads to erroneous results when using thermal properties determined merely for untreated wood.
Risk factors for non-closure of an intended temporary defunctioning stoma after emergency resection of left-sided obstructive colon cancer
Authors:   on behalf of the Dutch Snapshot Research Group, van Ommeren–Olijve S. J. , Burbach J. P. M. , Furnée E. J. B. 
Published: March 2020

Abstract
Purpose
A substantial part (21–35%) of defunctioning stomas created during resection for colorectal cancer will never be reversed. Known risk factors for non-closure are age, peri- or postoperative complications, comorbidity, and tumor stage. However, studies performed to identify these risk factors mostly focus on rectal cancer and include both preoperative and postoperative factors. This study aims to identify preoperative risk factors for non-reversal of intended temporary stomas created during acute resection of left-sided obstructive colon cancer (LSOCC) with primary anastomosis.

Methods
All patients who underwent emergency resection for LSOCC with primary anastomosis and a defunctioning stoma between 2009 and 2016 were selected from the Dutch ColoRectal Audit, and additional data were collected in the local centers. Multivariable analysis was performed to identify independent preoperative factors for non-closure of the stoma.

Results
A total of 155 patients underwent acute resection for LSOCC with primary anastomosis and a defunctioning stoma. Of these, 51 patients (32.9%) did not have their stoma reversed after a median of 53 (range 7–104) months of follow-up. In multivariable analysis, hemoglobin < 7.5 mmol/L (odds ratio (OR) 4.79, 95% confidence interval (95% CI) 1.60–14.38, p = 0.005), estimated glomerular filtration rate (eGFR) ≤ 45 mL/min/1.73 m2 (OR 4.64, 95% CI 1.41–15.10, p = 0.011), and metastatic disease (OR 6.12, 95% CI 2.35–15.94, p < 0.001) revealed to be independent predictors of non-closure.

Conclusions
Anemia, impaired renal function, and metastatic disease at presentation were found to be independent predictors for non-reversal of intended temporary stomas in patients who underwent acute resection for LSOCC. In patients who have an increased risk of non-reversal, the surgeon should consider a Hartmann’s procedure.
The Steel Industry in the European Union on the Crossroad to Carbon Lean Production—Status, Initiatives and Challenges
Authors: Draxler Monika , Schenk Johannes , Bürgler Thomas , Sormann Axel 
Published: March 2020

AbstractThe EU commission has committed to fulfil the targets of greenhouse gas (GHG) emission reduction in 2050 by 80% in comparison to the level of 1990. The fulfilment of the EU’s climate policies brings new challenges for the iron and steel industry. The European steel industry is forced to develop strategies for the transition of their technology to a carbon lean production and to keep the competitiveness in the world market. The steel companies in EU27 are taking the challenge to secure the steel production in Europe and have launched innovation projects for CO2mitigation with the focus on the technological pathways Carbon Direct Avoidance (CDA) and Smart Carbon Usage (SCU), which are, beside Circular economy, defined as important pillars for CO2abatement in European steel industry. The transformation of the steel industry must go hand in hand with a decarbonisation of the energy supply and other industries within EU27.
From St. John’s wort to tomato and from Rhodiola to cranberry
Authors: Weixlbaumer Verena , Draxler Lukas , Zeitlinger Markus , Prantl Benedikt 
Published: March 2020

Summary
Background
This study evaluated the definition, the prevalence of use and the governmental regulations of phytotherapy and four examples of herbal medicine are discussed in more detail.

Results
This research group evaluated 4 topics: St. John’s wort for treating (mild to moderate) depression, tomato extract as a platelet inhibitor, Rhodiola against stress-related fatigue and cranberries for the treatment of urinary tract infections.

Conclusion
The findings were diverse and must be individually taken into account. Evidence for efficacy varies within and between the four examples. An explanation for the lack of reproducibility of findings from preclinical and clinical experiments might be the insufficient standardization of herbal medicines. There is no scientific reason why phytotherapy should not be investigated with the same rigor as conventional drugs to establish the efficacy and potential risks. Meanwhile, it is concluded that care is essential when using herbal medicine in the daily routine and informing patients about potential shortcomings and dangers of herbal medicines should be considered a duty of pharmacists and physicians.
Permutation Matrices, Their Discrete Derivatives and Extremal Properties
Authors: Brualdi Richard A. , Dahl Geir 
Published: March 2020

AbstractFor a permutation π, and the corresponding permutation matrix, we introduce the notion of discrete derivative, obtained by taking differences of successive entries in π. We characterize the possible derivatives of permutations, and consider questions for permutations with certain properties satisfied by the derivative. For instance, we consider permutations with distinct derivatives, and the relationship to so-called Costas arrays.