bluuebunny/crossref_metadata_2025 huggingface dataset:
Atom‐to‐atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies
Authors: Lin Arkadii , Dyubankova Natalia , Madzhidov Timur I. , Nugmanov Ramil I. , Verhoeven Jonas , Gimadiev Timur R. , Afonina Valentina A. , Ibragimova Zarina , Rakhimbekova Assima , Sidorov Pavel , Gedich Andrei , Suleymanov Rail , Mukhametgaleev Ravil , Wegner Joerg , Ceulemans Hugo , Varnek Alexandre
Published: November 2021

In this paper, we compare the most popular Atom‐to‐Atom Mapping (AAM) tools: ChemAxon,[1] Indigo,[2] RDTool,[3] NameRXN (NextMove),[4] and RXNMapper[5] which implement different AAM algorithms. An open‐source RDTool program was optimized, and its modified version (“new RDTool”) was considered together with several consensus mapping strategies. The Condensed Graph of Reaction approach was used to calculate chemical distances and develop the “AAM fixer” algorithm for an automatized correction of erroneous mapping. The benchmarking calculations were performed on a Golden dataset containing 1851 manually mapped and curated reactions. The best performing RXNMapper program together with the AMM Fixer was applied to map the USPTO database. The Golden dataset, mapped USPTO and optimized RDTool are available in the GitHub repository https://github.com/Laboratoire‐de‐Chemoinformatique.
Rod eutectic growth in bulk undercooled melts
Authors: Xu Junfeng , Zhang Tao , Galenko Peter K.
Published: November 2021

This article proposes an analytical model to understand the rod growth of eutectic in the bulk undercooled melt. Based on the previous derivations of the lamellar eutectic growth models, relaxing the assumptions of small Péclet numbers, the model is derived by considering melt kinetic and thermal undercoolings. The intent of this model is to predict the transitions in eutectic pattern for conditions of the low and high growth velocities. In addition to investigation of the transition between lamellar and rod eutectic patterns, mathematical simplifications of solving Bessel function are presented as well, which is the most important priority to model calculation.
Dielectric resonator used as radome and antenna: A new concept for large frequency ratio shared aperture antenna design
Authors: Xu Jiachen , Guo Chen Jiang , Ding Jun
Published: November 2021

This paper presents a novel transmissive type L/Ku dual‐band dual‐polarization (DBDP) shared aperture antenna (SAA) with a large frequency ratio. The L‐band antenna employs a balanced‐fed hollow dielectric resonator antenna (DRA), which has broadband and low cross‐polarization; also, it can be used as a radome to protect the Ku‐band array. The Ku‐band uses a 4 × 4 dual‐polarized microstrip antenna array placed inside the hollow DRA and radiates through it. In order to verify the design, a prototype antenna was manufactured and measured. The measured result shows that the SAA covering the frequency bands of 0.95–1.42 GHz and 13.16–13.84 GHz with the reflection coefficient below −10 dB, the isolation between polarizations is better than 40 dB for L‐band and 25 dB for Ku‐band, the measured gain is 4.8 dBi for L‐band and 16.7 dBi for Ku‐band, and the cross‐polarization level for L‐ and Ku‐band is lower than −28 and −20 dB, respectively.
Application of an automatic, uncertainty model‐guided, target‐generating algorithm to lung stereotactic body radiotherapy
Authors: Yock Adam D. , Knutson Ashley , Osmundson Evan
Published: November 2021

Purpose

This work evaluated a new radiotherapy target‐generating framework (the αTarget algorithm) for creating internal target volumes for lung SBRT.

Methods

Nineteen patients previously treated with definitive intent SBRT to the lung were identified from a clinical database. For each patient's 4DCT simulation scan, deformable image registration was used between phases of the scan in order to generate voxelized models of motion for 35 individual gross tumor volumes. These motion models were then used with a new implementation of a previously described target‐generating algorithm to create new internal target volumes (αITVs). The resulting αITVs were analyzed with respect to their volume and the coverage they provided each tumor voxel per that voxel's motion model. The clinically used ITVs were similarly analyzed, and were then compared to the αITVs using paired Student's t‐tests. In addition, isotropic margins were added to the αITVs in order to determine the largest margin magnitude that could be added without exceeding the volume of the clinical ITVs.

Results

The αITVs increased the target coverage provided to each tumor's 5th‐percentile‐most‐covered‐voxel an average of 50.3% compared to the clinical ITVs (p < 0.0001). At the same time, the αITVs had volumes that were, on average, 31.4% smaller (p < 0.0001). The differences in volume were large enough that, on average, an extra 2 mm isotropic margin could be added to the αITV before it had a volume greater than the clinical ITV.

Conclusions

The αTarget algorithm can generate more effective lung SBRT internal target volumes that provide greater coverage with smaller volumes. In combination with numerous other advantages of the framework, this effectiveness makes the αTarget algorithm a powerful new method for advanced IGRT or adaptive radiotherapy techniques.
Mentors' competence in mentoring nursing students in clinical practice: Detecting profiles to enhance mentoring practices
Authors: Mikkonen Kristina , Tomietto Marco , Tuomikoski Anna‐Maria , Miha Kaučič Boris , Riklikiene Olga , Vizcaya‐Moreno Flores , Pérez‐Cañaveras Rosa M. , Filej Bojana , Baltinaite Giedre , Cicolini Giancarlo , Kääriäinen Maria
Published: November 2021

Aims

To describe the mentoring competence of clinical practice nurse mentors and identify different mentor profiles.

Design

Cross‐sectional research design, secondary analysis.

Methods

An international, cross‐sectional study design was performed in five European countries. A total of 1 604 mentors from 33 healthcare organizations participated in the study between 2016–2019. The Mentors' Competence Instrument (MCI), which includes seven sub‐dimensions and 44 items, was used to collect data. K‐means cluster and binary regression analyses were performed to detect mentor profiles and determine how various factors affect competence, respectively.

Results

The K‐means cluster analysis identified three distinct profiles: A (n = 926); B (n = 566); and C (n = 85). The profiles showed significantly different values (p < .001) across all seven areas of mentoring competence. In comparison with the other profiles, nurses in profile A were older, had more work experience and were more probably to have completed mentoring‐specific training.
In vitro and mechanical characterization of PLA/egg shell biocomposite scaffold manufactured using fused deposition modeling technology for tissue engineering applications
Authors: Gnanamani Sankaravel Sivagnanamani , Syed Rashia Begum , Manivachakan Vasumathi
Published: November 2021

Fused deposition modeling (FDM) plays a crucial role in additive manufacturing in the development of novel materials to match the properties of patient specific implants. Polylactic acid (PLA) based biodegradable composite scaffold has shown remarkable progress in tissue engineering due to its better processing compatibility and mechanical properties. In this research work, widely available natural biomaterial egg shell particle (ESP) was used as a filler material, as the minerals aid during bone formation and mineralization. To study the effect of filler particles in PLA, filler percentage and porosity were varied up to 12% and 60%. The scaffolds were characterized for compression, surface morphology, porosity, water contact angle, and in vitro studies. Micro fibers with 10–100 μm were developed using FDM technology. A reduction of up to 85% was made in the water contact angle with respect to an increase in filler particles. 10% ESP withstood a maximum load of 369 MPa at 40% porosity. A maximum weight loss of 11 mg in 12% ESP composite at 60% porosity scaffolds was observed in simulated body fluid study. 3‐(4,5‐dimethyl‐2‐thiazolyl)‐2,5‐diphenyltetrazolium bromide (MTT) assay results revealed the absence of toxicity up to 72 h in the composite. 12% ESP showed good cell viability compared to pure PLA and 10% ESP scaffolds having better mechanical and biological properties.
Enhanced direct‐current breakdown strength of Al2O3/epoxy resin composites through plasma fluoridation of fillers interface
Authors: Lü Fang‐cheng , Song Jing‐xuan , Ruan Hao‐ou , Zhu Mei‐ying , Wang Shuang‐shuang , Lü Pin , Xie Qing
Published: November 2021

Herein, a method for improving the direct‐current (DC) breakdown strength of the epoxy resin (ER) was proposed. Nano‐Al2O3 was treated with CF4/Ar plasma and doped into the epoxy resin matrix to obtain epoxy composites with high DC breakdown strength in both extremely uneven and slightly uneven electric fields. The reaction essence of plasma fluoridation was characterized, and the dielectric spectrum, volume conductivity, space charge, and carrier trap characteristics of the modified composites were studied. The plasma fluoridation at the fillers‐matrices interface is an effective pretreatment method to enhance insulation, exhibiting good applicability to ceramic/polymer composites.
Basic physicochemical processes governing self‐healable polymers†
Authors: Wang Siyang , Urban Marek W.
Published: November 2021

This short review outlines basic chemical and physical principles that can be utilized in the development of self‐healing polymers. Physical processes include the interdiffusion of polymer chains, the introduction of phase‐separated morphologies, shape memory effects or incorporating active nanoparticles into a polymer matrix. Dynamic covalent, free radical or supramolecular bonds are predominantly chemical processes. However, self‐healing will also involve a combination of physical and chemical events, such as taking advantage of enhanced van der Waals forces resulting in inter‐digitated copolymer morphologies or embedded reactive encapsulated fluids that burst open upon damage to fill up a wound. Sufficient molecular mobility for autonomous self‐healing under ambient conditions can also be achieved while maintaining high strength and stiffness in precisely designed commodity polymers. The efficient storage and recovery of conformational entropic energy stored during damage or excess of surface energy resulting from damage will drive the reduction of newly generated interfaces created upon damage by shallowing and widening wounds until healed. © 2021 Society of Industrial Chemistry.
Thermoelektrische Clathrate
Authors: Baitinger Michael , Grin Juri
Published: November 2021

Thermoelektrische Werkstoffe ermöglichen es, Wärmeenergie direkt in elektrische Energie umzuwandeln. Intermetallische Clathrate gelten hierfür als aussichtsreiche Materialien, weil man bisher glaubt, dass sie das PGEC‐Konzept (Phonon Glass Electronic Crystal) erfüllen. Demnach sollten lokale Schwingungen der Käfigatome die thermische Leitfähigkeit reduzieren, ohne die elektrische Leitfähigkeit zu beeinträchtigen. Doch ausgerechnet eines der besten thermoelektrischen Clathrate hält sich nicht an diese Regel.
Wissenschaft als subversiver Akt
Authors: Loos Andreas
Published: November 2021

Er half Richard Feynman, dessen Diagramme in mathematischen Formeln zu verpacken und beeinflusste Science‐Fiction‐Autoren.
Marine mollusc extracts—Potential source of SARS‐CoV‐2 antivirals
Authors: Pedler Rebecca L. , Speck Peter G.
Published: November 2021

Severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) is a novel human coronavirus and the causative agent of coronavirus disease 2019 (Covid‐19). There is an urgent need for effective antivirals to treat current Covid‐19 cases and protect those unable to be vaccinated against SARS‐CoV‐2. Marine molluscs live in an environment containing high virus densities (>107 virus particles per ml), and there are an estimated 100,000 species in the phylum Mollusca, demonstrating the success of their innate immune system. Mollusc‐derived antivirals are yet to be used clinically despite the activity of many extracts, including against human viruses, being demonstrated in vitro. Hemolymph of the Pacific oyster (Crassostrea gigas) has in vitro antiviral activity against herpes simplex virus and human adenovirus, while antiviral action against SARS‐CoV‐2 has been proposed by in silico studies. Such evidence suggests that molluscs, and in particular C. gigas hemolymph, may represent a source of antivirals for human coronaviruses.
Multiple imputation procedures for estimating causal effects with multiple treatments with application to the comparison of healthcare providers
Authors: Silva Gabriella C. , Gutman Roee
Published: November 2021

Choosing between multiple healthcare providers requires us to simultaneously compare the expected outcomes under each provider. This comparison is complex because the composition of patients treated by each provider may differ. Similar issues arise when simultaneously comparing the adverse effects of interventions using non‐randomized data. To simultaneously estimate the effects of multiple providers/interventions we propose procedures that explicitly impute the set of potential outcomes for each subject. The procedures are based on different specifications of the generalized additive models (GAM) and the Bayesian additive regression trees (BART). We compare the performance of the proposed procedures to previously proposed matching and weighting procedures using an extensive simulation study for continuous outcomes. Our simulations show that when the distributions of the covariates across treatment groups have adequate overlap, the multiple imputation procedures based on separate BART or GAM models in each treatment group are generally superior to weighting based methods and have similar and sometimes better performance than matching on the logit of the generalized propensity score. Another advantage of these multiple imputation procedures is the ability to provide point and interval estimates to a wide range of causal effect estimands. We apply the proposed procedures to comparing multiple nursing homes in Massachusetts for readmission outcomes. The proposed approach can be applied to other causal effects applications with multiple treatments.
Covalent‐Organic Framework Composites: A Review Report on Synthesis Methods
Authors: Kumar Shubham , Kulkarni Vihangraj V. , Jangir Ritambhara
Published: November 2021

Nowadays, Covalent‐Organic Frameworks (COFs) are deemed to be the utmost trending and leading materials worldwide, counting on their highly porous nature and phenomenal thermodynamic stability. Owing to a highly ordered organic network having diverse strong covalent linkages, these materials have elucidated their suitability in photoelectricity, drug delivery, semiconductors, gas storage and separation, emission, proton conduction, catalysis, etc. To add on the functionality, these materials are been coupled with other functional materials to amalgamate COFs composites. Such COFs composites offer countless opportunities for valuable applications. Herein, in this review we report and underpin the existing synthesis methods for COFs and their composites along with their analytical applications in various fields with special reference to separation and sensing. A conclusive discussion on their future perspectives and challenges is made to benefit the readers.
A Facile Liquid‐Phase, Solvent‐Dependent Exfoliation of Large Scale MoS2 Nanosheets and Study of Their Photoconductive Behaviour for UV‐Photodetector Application
Authors: Sharma Rohit , Kumar Ashish , Kumari Reena , Garg Preeti , Umapathy G. , Laisharm Radhapiyari , Ojha Sunil , Srivastava Ritu , Sinha Om Prakash
Published: November 2021

Two‐dimensional MoS2 can be used for various electronic and optoelectronic applications due to its atomically thin structure and high surface area. Keeping such applications in mind, we report, the role of different solvent in the synthesis of 2D‐MoS2 nanosheets (NSs) via liquid‐phase exfoliation method, and these nanosheets are further studied for photodetector application. Bulk MoS2 powder has been exfoliated in various solvents like deionized water (DI), 1,2‐dichlorobenzene (DCB), dimethylformamide (DMF), and N‐methyl‐pyrrolidone (NMP). The structural and optical properties of samples have been investigated. From the structural analysis, it has been found that MoS2 NSs have lateral dimensions in micron and are few nanometer thick. These NSs are single plane oriented with a 2H phase, which have semiconducting nature. The optical properties of MoS2 NSs have been studied by UV‐Visible absorption spectroscopy, and it is found that the optical band gap has been varied between 1.62 eV to 1.78 eV. The photoresponse of these synthesized NSs has been studied and found that NSs exfoliated in DMF and NMP show better photoresponse.
N‐Sulfanylimides as the Sulfur Source for Alkyl Allenyl Sulfoxides via [2,3]‐Sigmatropic Rearrangement
Authors: Riddell Adam B. , Michalski Michelle M. , Snowdon Monika R. , Hirst Mark J. , Schwan Adrian L.
Published: November 2021

Sulfenyl chlorides are a reliable starting material to access allenyl sulfoxides with aryl or haloalkyl groups by way of sulfenate ester formation followed by [2,3]‐sigmatropic rearrangement. Application of the chemistry of alkanesulfenyl chlorides is much less common due to competing fates along the reaction pathway. In this paper, N‐sulfanylsuccimides (thiosuccinimides) are shown to be a viable replacement for sulfenyl chlorides. A number of allenyl alkyl sulfoxides are prepared in fair to good yields (21–73 %, 21 examples). In addition, some butyn‐1,4‐diols can be selectively monofunctionalized to form allenyl sulfoxides (26–71 %) with a hydroxyalkyl group geminal to the sulfur. Butynediols also permit synthetic access to dienes via successive sulfenate ester formation and [2,3]‐sigmatropic rearrangement reactions. N‐2‐Trimethylsilylethylthosucinimides were among the highest yielding of the thioimides.
Red‐Green‐Blue‐Yellow (RGBY) Magnetic Circularly Polarised Luminescence (MCPL) from Optically Inactive Phosphorescent Ir(III) Complexes
Authors: Kitahara Maho , Suzuki Seika , Matsudaira Kana , Yagi Shigeyuki , Fujiki Michiya , Imai Yoshitane
Published: November 2021

The development of phosphorescent organometallic molecules, capable of full‐colour circularly polarised luminescence with a controlled polarised sign in the absence of any chiral chemical influences, presents a significant scientific and engineering challenge. The current study describes the first red‐green‐blue‐yellow (RGBY) coloured, nearly mirror‐image magnetic circularly polarised luminescence (MCPL) in dimethyl sulfoxide and dichloromethane, from four optically inactive Iridium(III) complexes viz. Ir(III)(piq)3, Ir(III)(ppy)3, Ir(III)(F2‐ppy)2(pic), and Ir(III)(BT)2(acac), bearing achiral organic cyclometalated and ancillary ligands. The absolute value of the anisotropy factors, |gMCPL|, ranging from 0.9×10−3 to 2.5×10−3 in the presence of an external 1.6 T magnetic field was nearly identical to the enantiomerically pure Iridium (III) complexes at zero‐magnetic fields. Unexpectedly, when the same north‐up/south‐up Faraday geometries were used, the MCPL signs were inverted due to the achiral ligands.
Research on Heating Zone Length of Continuous Fiber Reinforced Composites 3D Printing Nozzle
Authors: Wang Yesong , Wang Qing , Kong Dekun , Liu Jiang
Published: November 2021

With the development of 3D printing, continuous fiber reinforced composite (CFRTP C) 3D printing has received widespread attention. The print head is critical to distinguish between different components of the printing material. The printing nozzle is the key of CFRTPC 3D printing nozzle. Based on the “independent extrusion” type CFRTPC 3D printing, this paper studies the length of the heating zone of the continuous fiber reinforced filament (CFRF) printing nozzle. The research results show that when the CFRF printing speed is 300 mm/min, taking CFRF/PLA as an example, the effective heating zone length of the printing nozzle is between 2.62–5.45 mm, and the printing temperature range is between 204–234°C. Comprehensive consideration, the optimal printing zone length is 3.6 mm and the optimal printing temperature is 220 °C. The research of this paper is of great significance to the rapid development of CFRTPC 3D printer.
Recent Advances on Host–Guest Material Systems toward Organic Room Temperature Phosphorescence
Authors: Yan Xi , Peng Hao , Xiang Yuan , Wang Juan , Yu Lan , Tao Ye , Li Huanhuan , Huang Wei , Chen Runfeng
Published: November 2021

The design and characterization of purely organic room‐temperature phosphorescent (RTP) materials for optoelectronic applications is currently the focus of research in the field of organic electronics. Particularly, with the merits of preparation controllability and modulation flexibility, host–guest material systems are encouraging candidates that can prepare high‐performance RTP materials. By regulating the interaction between host and guest molecules, it can effectively control the quantum efficiency, luminescent lifetime, and color of host–guest RTP materials, and even produce RTP emission with stimuli‐responsive features, holding tremendous potential in diverse applications such as encryption and anti‐counterfeiting, organic light‐emitting diodes, sensing, optical recording, etc. Here a roundup of rapid achievement in construction strategies, molecule systems, and diversity of applications of host–guest material systems is outlined. Intrinsic correlations between the molecular properties and a survey of recent significant advances in the development of host–guest RTP materials divided into three systems including rigid matrix, exciplex, and sensitization are presented. Providing an insightful understanding of host–guest RTP materials and offering a promising platform for high throughput screening of RTP systems with inherent advantages of simple material preparation, low‐cost, versatile resource, and controllably modulated properties for a wide range of applications is intended.
Historical racial exclusion from board membership at the Southern Economic Association, Western Economic Association International, Midwest Economics Association, and Eastern Economic Association and their affiliated journals
Authors: Hoover Gary A. , Williams Miesha
Published: November 2021

This research observes the dearth of Black economists who have ever held positions in the leadership of the Eastern Economic Association, the Southern Economic Association, the Midwest Economics Association, or the Western Economic Association International. It also records the number of Black economists to ever hold positions of editor or be members of the editorial boards of the Eastern Economic Journal, the Southern Economic Journal, Contemporary Economic Policy, the Quarterly Review of Economics and Finance, or Economic Inquiry. Since the creation of the four regional economic associations and their affiliated journals until 2020, the authors estimate that there were over 6800 board positions available. To date, only 17 have ever been filled by Black scholars.
A Sociocultural Approach to Children’s Visual Creations
Authors: Lähdesmäki Tuuli , Baranova Jūratė , Ylönen Susanne C. , Koistinen Aino-Kaisa , Mäkinen Katja , Juškiene Vaiva , Zaleskiene Irena
Published: November 2021

This chapter locates the book within the research on children’s art. It explores interpretations of children’s visual creations throughout the twentieth century and situates the approach of the book within the research landscape. The authors take developmental psychological, educational, and aesthetic approaches to form a sociocultural view of children’s art, challenging many of the previous research assumptions. Through adopting the paradigm of the sociocultural approach, the authors embrace its view of children as competent cultural actors and active participants in cultural production. Thus, the discussion focuses on meaning-making: the authors analyze visual artifacts made by students to understand how they engage with the idea of the difference.
Visualizing Social and Behavior Change due to the Outbreak of COVID-19 Using Mobile Phone Location Data
Authors: Mizuno Takayuki , Ohnishi Takaaki , Watanabe Tsutomu
Published: November 2021

We visualize the rates of stay-home for residents by region using the difference between day-time and night-time populations to detect residential areas, and then observing the numbers of people leaving residential areas. There are issues with measuring stay-home rates by observing numbers of people visiting downtown areas, such as central urban shopping centers and major train stations. The first is that we cannot eliminate the possibility that people will avoid areas being observed and go to other areas. The second is that for people visiting downtown areas, we cannot know where they reside. These issues can be resolved if we quantify the degree of stay-home using the number of people leaving residential areas. There are significant differences in stay-home levels by region throughout Japan. By this visualization, residents of each region can see whether their level of stay-home is adequate or not, and this can provide incentive toward compliance suited to the residents of the region.
Direct comparison of contralateral bias and face/scene selectivity in human occipitotemporal cortex
Authors: Silson Edward H. , Groen Iris I. A. , Baker Chris I.
Published: November 2021

Human visual cortex is organised broadly according to two major principles: retinotopy (the spatial mapping of the retina in cortex) and category-selectivity (preferential responses to specific categories of stimuli). Historically, these principles were considered anatomically separate, with retinotopy restricted to the occipital cortex and category-selectivity emerging in the lateral-occipital and ventral-temporal cortex. However, recent studies show that category-selective regions exhibit systematic retinotopic biases, for example exhibiting stronger activation for stimuli presented in the contra- compared to the ipsilateral visual field. It is unclear, however, whether responses within category-selective regions are more strongly driven by retinotopic location or by category preference, and if there are systematic differences between category-selective regions in the relative strengths of these preferences. Here, we directly compare contralateral and category preferences by measuring fMRI responses to scene and face stimuli presented in the left or right visual field and computing two bias indices: a contralateral bias (response to the contralateral minus ipsilateral visual field) and a face/scene bias (preferred response to scenes compared to faces, or vice versa). We compare these biases within and between scene- and face-selective regions and across the lateral and ventral surfaces of the visual cortex more broadly. We find an interaction between surface and bias: lateral surface regions show a stronger contralateral than face/scene bias, whilst ventral surface regions show the opposite. These effects are robust across and within subjects, and appear to reflect large-scale, smoothly varying gradients. Together, these findings support distinct functional roles for the lateral and ventral visual cortex in terms of the relative importance of the spatial location of stimuli during visual information processing.
An Arbitrary-Order Discrete de Rham Complex on Polyhedral Meshes: Exactness, Poincaré Inequalities, and Consistency
Authors: Di Pietro Daniele A. , Droniou Jérôme
Published: November 2021

In this paper, we present a novel arbitrary-order discrete de Rham (DDR) complex on general polyhedral meshes based on the decomposition of polynomial spaces into ranges of vector calculus operators and complements linked to the spaces in the Koszul complex. The DDR complex is fully discrete, meaning that both the spaces and discrete calculus operators are replaced by discrete counterparts, and satisfies suitable exactness properties depending on the topology of the domain. In conjunction with bespoke discrete counterparts of $$\text {L}^2$$

L
2

-products, it can be used to design schemes for partial differential equations that benefit from the exactness of the sequence but, unlike classical (e.g., Raviart–Thomas–Nédélec) finite elements, are nonconforming. We prove a complete panel of results for the analysis of such schemes: exactness properties, uniform Poincaré inequalities, as well as primal and adjoint consistency. We also show how this DDR complex enables the design of a numerical scheme for a magnetostatics problem, and use the aforementioned results to prove stability and optimal error estimates for this scheme.
Machine Learning for Health: Algorithm Auditing & Quality Control
Authors: Oala Luis , Murchison Andrew G. , Balachandran Pradeep , Choudhary Shruti , Fehr Jana , Leite Alixandro Werneck , Goldschmidt Peter G. , Johner Christian , Schörverth Elora D. M. , Nakasi Rose , Meyer Martin , Cabitza Federico , Baird Pat , Prabhu Carolin , Weicken Eva , Liu Xiaoxuan , Wenzel Markus , Vogler Steffen , Akogo Darlington , Alsalamah Shada , Kazim Emre , Koshiyama Adriano , Piechottka Sven , Macpherson Sheena , Shadforth Ian , Geierhofer Regina , Matek Christian , Krois Joachim , Sanguinetti Bruno , Arentz Matthew , Bielik Pavol , Calderon-Ramirez Saul , Abbood Auss , Langer Nicolas , Haufe Stefan , Kherif Ferath , Pujari Sameer , Samek Wojciech , Wiegand Thomas
Published: November 2021

Developers proposing new machine learning for health (ML4H) tools often pledge to match or even surpass the performance of existing tools, yet the reality is usually more complicated. Reliable deployment of ML4H to the real world is challenging as examples from diabetic retinopathy or Covid-19 screening show. We envision an integrated framework of algorithm auditing and quality control that provides a path towards the effective and reliable application of ML systems in healthcare. In this editorial, we give a summary of ongoing work towards that vision and announce a call for participation to the special issue  Machine Learning for Health: Algorithm Auditing & Quality Control in this journal to advance the practice of ML4H auditing.
Protective Alumina Scale Growth at 900 °C for a Ni- and Cr-Free Co-Base Model Alloy with γ/γ’-Microstructure: Synergistic Effects by Combining Shot-Peening and Halogenation
Authors: Hagen S. P. , Beck K. , Kubacka D. , Zschau H.-E. , Galetz M. C. , Spiecker E. , Virtanen S.
Published: November 2021

The oxidation resistance of novelγ/γ’-strengthened Co-base superalloys is clearly outmatched by their Ni-base counterparts within the high-temperature regime. Therefore, surface modification strategies to foster protective alumina growth seem auspicious. This study elucidates the impact of fluorination and shot-peening on protective alumina formation at 900 °C for a quaternary Co-base model alloy (Co-Al-W-Ta system) which is well known for an exceptionally low inherent oxidation resistance. Time-resolved isothermal gravimetric analysis (TGA) in synthetic air, detailed electron microscopic analysis, and X-ray diffraction (XRD) were used. For polished samples, no pronounced enhancement of oxidation resistance could be obtained by halogenation. However, in case of shot-peened samples (halogen-free), an increased tendency for alumina formation is found compared to polished surfaces. The very early stages of oxidation were identified to be especially crucial with respect to sustainable protective scale growth. Most noteworthy is the observation of a strong synergistic effect derived by a combination of halogenation and shot-peening, leading to significantly increased oxidation resistance.
Scaling Down Large-Scale Thawing of Monoclonal Antibody Solutions: 3D Temperature Profiles, Changes in Concentration, and Density Gradients
Authors: Bluemel Oliver , Buecheler Jakob W. , Hauptmann Astrid , Hoelzl Georg , Bechtold-Peters Karoline , Friess Wolfgang
Published: November 2021

Purpose

Scale-down devices (SDD) are designed to simulate large-scale thawing of protein drug substance, but require only a fraction of the material. To evaluate the performance of a new SDD that aims to predict thawing in large-scale 2 L bottles, we characterised 3D temperature profiles and changes in concentration and density in comparison to 125 mL and 2 L bottles. Differences in diffusion between a monoclonal antibody (mAb) and histidine buffer after thawing were examined.

Methods

Temperature profiles at six distinct positions were recorded with type T thermocouples. Size-exclusion chromatography allowed quantification of mAb and histidine. Polysorbate 80 was quantified using a fluorescent dye assay. In addition, the solution’s density at different locations in bottles and the SDD was identified.

Results

The temperature profiles in the SDD and the large-scale 2 L bottle during thawing were similar. Significant concentration gradients were detected in the 2 L bottle leading to marked density gradients. The SDD slightly overestimated the dilution in the top region and the maximum concentrations at the bottom. Fast diffusion resulted in rapid equilibration of histidine.

Conclusion

The innovative SDD allows a realistic characterisation and helps to understand thawing processes of mAb solutions in large-scale 2 L bottles. Only a fraction of material is needed to gain insights into the thawing behaviour that is associated with several possible detrimental limitations.
Cooling out als objektivierende Subjektivierung. Zum Umgang mit Enttäuschung und Misserfolg im Spitzensport
Authors: Brümmer Kristina
Published: November 2021

Der vorliegende Artikel beschäftigt sich auf der Basis einer ethnografischen Studie zu Fußballtraining mit der Verarbeitung von Enttäuschung und erlebtem Misserfolg in Spielanalysen des Spitzenteamsports. Dazu wird auf praxissoziologische und subjektivierungstheoretische Zugänge sowie Goffmans Theorem des Cooling out rekurriert, um Spielanalysen als soziale Praktiken zu perspektivieren. Indem sich Trainer und Spieler in diesen Analysen gegenseitig zu einem professionellen Umgang mit Enttäuschung und Misserfolg anhalten, subjektivieren sie sich zu „mitspielfähigen“ Teilnehmern des sozialen Feldes. Wichtiges Element der Analysepraktiken sind Videoaufzeichnungen, die die Rückwendung der Teilnehmer auf Spiele vermitteln und als Medien der Objektivierung spielerischer Leistungen fungieren. Wie der Artikel zeigt, werden vergangene Spielereignisse in den videovermittelten Analysepraktiken keineswegs nur anhand vorhandener, eindeutiger Kriterien von Erfolg und Misserfolg oder Leistung und Nicht-Leistung verarbeitet. Vielmehr wird der spezifische Wert einer Leistung in den Praktiken überhaupt erst festgelegt. Die Kategorien Erfolg und Leistung werden damit als Ergebnisse machtvoller Zuschreibungen und umstrittener Bewertungen erkennbar, in deren Verlauf auch die „cooler“- und „mark“-Positionen im Sinne Goffmans zur Disposition stehen. Der Artikel schließt mit einem Plädoyer für weitere soziologische Forschungen zum häufig unterschätzten Problem des Enttäuschungs‑, Misserfolgs- und Konfliktmanagements im Kontext kompetitiver Teamkollaboration im Spitzensport und darüber hinaus.
Führen und Entscheiden unter Unsicherheit
Authors: von Ameln Falko
Published: November 2021

Dieser Artikel der Zeitschrift „Gruppe. Interaktion. Organisation. (GIO)“ gibt einen Überblick über die Herausforderungen des Führens und Entscheiden unter Unsicherheit. Diese Herausforderungen werden am Beispiel des deutschen Corona-Managements illustriert und auf Problemlagen in organisationalen Entscheidungsprozessen bezogen. Der Text verfolgt vorrangig den Anspruch, Dilemmata des Entscheidens in einer Kombination organisationspsychologischer und organisationssoziologischer Perspektiven herauszuarbeiten und vor dem Hintergrund sozialer Kontextbedingungen aufzuschließen, gibt aber auch Empfehlungen für die Gestaltung einer Organisations- und Führungskultur, die den Anforderungen des Entscheidens unter Unsicherheit Rechnung trägt.
Is the RAND-36 an Adequate Patient-reported Outcome Measure to Assess Health-related Quality of Life in Patients Undergoing Bariatric Surgery?
Authors: de Vries Claire E. E. , Makarawung Dennis J. S. , Monpellier Valerie M. , Janssen Ignace M. C. , de Castro Steve M. M. , van Veen Ruben N.
Published: November 2021

Purpose

The RAND-36 is the most frequently used patient-reported outcome measure (PROM) to evaluate health-related quality of life (HRQoL) in bariatric surgery. However, the RAND-36 has never been adequately validated in bariatric surgery. The purpose of this study was to validate the RAND-36 in Dutch patients undergoing bariatric surgery.

Material and Methods

To validate the RAND-36, the following measurement properties were assessed in bariatric surgery patients: validity (the degree to which the RAND-36 measures what it purports to measure (HRQoL)), reliability (the extent to which the scores of the RAND-36 are the same for repeated measurement for patients who have not changed in HRQoL), responsiveness (the ability of the RAND-36 to detect changes in HRQoL over time).

Results

Two thousand one hundred thirty-seven patients were included. Validity was not adequate due to the irrelevance of some items and response options, the lack of items relevant to patients undergoing bariatric surgery, and the RAND-36 did not actually measure what it was intended to measure in this study (HRQoL in bariatric surgery patients). Reliability was insufficient for the majority of the scales (the scores of patients who had not changed in HRQoL were different when the RAND was completed a second time (intraclass correlation coefficient (ICC) values 0.10–0.69)). Responsiveness was insufficient.

Conclusion

The RAND-36 was not supported by sufficient validation evidence in patients undergoing bariatric surgery, which means that the RAND-36 does not adequately measure HRQoL in this patient population. Future research studies should use PROMs that are specifically designed for assessing HRQoL in patients undergoing bariatric surgery.

Graphical abstract
Quorum sensing regulation methods and their effects on biofilm in biological waste treatment systems: A review
Authors: Sun Zhuqiu , Xi Jinying , Yang Chunping , Cong Wenjie
Published: November 2021

Quorum sensing (QS) plays an important role in microbial aggregation control. Recently, the optimization of biological waste treatment systems by QS regulation gained an increasing attention. The effects of QS regulation on treatment performances and biofilm were frequently investigated. To understand the state of art of QS regulation, this review summarizes the methods of QS enhancement and QS inhibition in biological waste treatment systems. Typical QS enhancement methods include adding exogenous QS molecules, adding QS accelerants and cultivating QS bacteria, while typical QS inhibition methods include additions of quorum quenching (QQ) bacteria, QS-degrading enzymes, QS-degrading oxidants, and QS inhibitors. The specific improvements after applying these QS regulation methods in different treatment systems are concluded. In addition, the effects of QS regulation methods on biofilm in biological waste treatment systems are reviewed in terms of biofilm formation, extracellular polymeric substances production, microbial viability, and microbial community. In the end, the knowledge gaps in current researches are analyzed, and the requirements for future study are suggested.
Tiny Houses als Symbole von Selbstverwirklichung und Solidarität auf der Prämisse von Selbstaktivierung
Authors: Finzi Jan , Kuhnt Janine
Published: November 2021

Auf der Grundlage einer Analyse der Selbstpräsentation von Akteuren der Tiny-House-Bewegung, können Tiny Houses einerseits als symbolisierte Selbstverwirklichung eines Milieus, das ressourcenbedingt eine (eigene) Norm des Wohnens konstituiert, verstanden werden und andererseits als Ausdruck von Solidarität mit von Wohnungsnot Betroffenen, die aus der Selbstaktivierung einer engagierten und solidarischen Zivilgesellschaft hervorgeht. Sowohl das ressourcenbedingte Setzen einer Norm des Wohnens auf kleinstem Raum als auch die Solidaritätsleistung engagierter Personen – mit und für von Wohnungsnot Betroffenen – verdeutlichen, dass Engagement zur Linderung von Wohnungsnot (durch Tiny Houses) voraussetzungsvoll und an die Selbstaktivierungskräfte zivilgesellschaftlicher Akteur*innen gebunden ist.
New functionalism and the social and behavioral sciences
Authors: Beck Lukas , Grayot James D.
Published: November 2021

Functionalism about kinds is still the dominant style of thought in the special sciences, like economics, psychology, and biology. Generally construed, functionalism is the view that states or processes can be individuated based on what role they play rather than what they are constituted of or realized by. Recently, Weiskopf (2011a, 2011b) has posited a reformulation of functionalism on the model-based approach to explanation. We refer to this reformulation as ‘new functionalism’. In this paper, we seek to defend new functionalism and to recast it in light of the concrete explanatory aims of the special sciences. In particular, we argue that the assessment of the explanatory legitimacy of a functional kind needs to take into account the explanatory purpose of the model in which the functional kind is employed. We aim at demonstrating this by appealing to model-based explanations from the social and behavioral sciences. Specifically, we focus on preferences and signals as functional kinds. Our argument is intended to have the double impact of deflecting criticisms against new functionalism from the perspective of mechanistic decomposition while also expanding the scope of new functionalism to encompass the social and behavioral sciences.
Trade and Resource Sustainability with Asset Markets
Authors: Karp Larry , Rezai Armon
Published: November 2021

Trade changes incentives to protect an open-access natural resource independently of its effect on the resource price. General equilibrium linkages cause resource policy to affect the price of privately owned assets regardless of whether they are used in the resource sector. In the closed economy, the asset market in our overlapping generations setting creates incentives for currently living agents to protect the natural resource. The interplay of the asset market and general equilibrium effects causes trade to reverse these incentives. Trade liberalization and the establishment of formal property rights are policy complements: the former makes the latter more important.
Between uncertainty and hope: Young leaders as agents of change in sustainable small-scale fisheries
Authors: Espinoza-Tenorio Alejandro , Ehuan-Noh Romana Gabriela , Cuevas-Gómez Gabriela Alejandra , Narchi Nemer E. , Ramos-Muñoz Dora Elia , Fernández-Rivera Melo Francisco J. , Saldívar-Moreno Antonio , Zepeda-Domínguez José Alberto , Pérez-Jiménez Juan Carlos , Oliveto-Andrade Alma , Torre Jorge
Published: November 2021

The path to sustainable small-scale fisheries (SSF) is based on multiple learning processes that must transcend generational changes. To understand young leaders from communities with sustainable SSF management practices in Mexico, we used in-depth interviews to identify their shared motivations and perceptions for accepting their fishing heritage. These possible future decision-makers act as agents of change due to their organizational and technological abilities. However, young people are currently at a crossroads. Many inherited a passion for the sea and want to improve and diversify the fishing sector, yet young leaders do not want to accept a legacy of complicated socioenvironmental conditions that can limit their futures. These future leaders are especially concerned by the uncertainty caused by climate change. If fishing and generational change are not valued in planning processes, the continuity of fisheries, the success of conservation actions, and the lifestyles of young fishers will remain uncertain.

Graphical abstract
Cultivating Moral Attention: a Virtue-Oriented Approach to Responsible Data Science in Healthcare
Authors: Ratti Emanuele , Graves Mark
Published: November 2021

In the past few years, the ethical ramifications of AI technologies (in particular data science) have been at the center of intense debates. Considerable attention has been devoted to understanding how a morally responsible practice of data science can be promoted and which values have to shape it. In this context, ethics and moral responsibility have been mainly conceptualized as compliance to widely shared principles. However, several scholars have highlighted the limitations of such a principled approach. Drawing from microethics and the virtue theory tradition, in this paper, we formulate a different approach to ethics in data science which is based on a different conception of “being ethical” and, ultimately, of what it means to promote a morally responsible data science. First, we develop the idea that, rather than only compliance, ethical decision-making consists in using certain moral abilities (e.g., virtues), which are cultivated by practicing and exercising them in the data science process. An aspect of virtue development that we discuss here is moral attention, which is the ability of data scientists to identify the ethical relevance of their own technical decisions in data science activities. Next, by elaborating on the capability approach, we define a technical act as ethically relevant when it impacts one or more of the basic human capabilities of data subjects. Therefore, rather than “applying ethics” (which can be mindless), data scientists should cultivate ethics as a form of reflection on how technical choices and ethical impacts shape one another. Finally, we show how this microethical framework concretely works, by dissecting the ethical dimension of the technical procedures involved in data understanding and preparation of electronic health records.
Drug-induced thrombocytopenia associated with trastuzumab in a patient with HER2-positive recurrent gastric cancer
Authors: Takano Yuko , Furune Satoshi , Miyai Yuki , Morita Sachi , Inoue Megumi , Shimokata Tomoya , Sugishita Mihoko , Mitsuma Ayako , Maeda Osamu , Ando Yuichi
Published: November 2021

Here, we report a 57-year-old female patient with HER2-positive recurrent gastric cancer who experienced drug-induced thrombocytopenia associated with trastuzumab, a humanized anti-HER2 monoclonal antibody. Shortly after the initiation of S-1, oxaliplatin, and trastuzumab chemotherapy, the patient experienced severe thrombocytopenia and did not respond to platelet transfusions. Based on the findings of increased numbers of polynuclear megakaryocytes in the bone marrow and an elevated level of platelet-associated IgG (PA-IgG), the patient was diagnosed with drug-induced thrombocytopenia (DITP). The platelet count recovered rapidly with oral prednisolone (1 mg/kg). Since we initially suspected oxaliplatin as the causal agent, S-1 was restarted as a monotherapy, followed by trastuzumab after a 3-week interval, without oxaliplatin. On the second day after the addition of trastuzumab, severe thrombocytopenia occurred again, which suggests that trastuzumab was responsible for the DITP. The patient no longer experienced severe thrombocytopenia during the subsequent S-1 and oxaliplatin chemotherapy, which supports this hypothesis.