bluuebunny/crossref_metadata_2025_split huggingface dataset:
Automatic segmentation of temporal bone structures from clinical conventional CT using a CNN approach
Authors: Lv Yi , Ke Jia , Xu Ying , Shen Yu , Wang Junchen , Wang Jiang 
Published: January 2021

AbstractBackgroundAutomatic segmentation of temporal bone structures from patients' conventional computed tomography (CT) data plays an important role in the image‐guided cochlear implant surgery. Existing convolutional neural network approaches have difficulties in segmenting such small tubular structures.MethodsWe propose a light‐weight three‐dimensional convolutional neural network referred to as W‐Net to achieve multiobjective segmentation of temporal bone structures including the cochlear labyrinth, ossicular chain and facial nerve from conventional temporal bone CT images. Data augmentation with morphological enhancement is proposed to increase the segmentation accuracy of small tubular structures. Evaluation against the state‐of‐the‐art methods is performed.ResultsOur method achieved mean Dice similarity coefficients (DSCs) of 0.90, 0.85 and 0.77 for the cochlear labyrinth, ossicular chain and facial nerve, respectively. These results were also close to the DSCs between human expert annotators (0.91, 0.91 and 0.72).ConclusionsOur method achieves human‐level accuracy in the segmentation of the cochlear labyrinth, ossicular chain and facial nerve.
Half‐Metallic Devices from Armchair Graphene Nanoribbons with Transition Metal Guest Atoms
Authors: Hagelberg Frank , Rodrigues Romero José , Probst Michael , Khavryuchenko Oleksiy 
Published: January 2021

AbstractThe spin‐dependent transmission properties of (0,8) graphene nanoribbons (GNRs) with two substitutional Fe atom impurities (2Fe‐aGNRs) have been studied by the non‐equilibrium Green's function (NEGF) method in conjunction with density functional theory (DFT). Emphasis is placed on the spin‐filtering activity of current transmission elements derived from these structures. In particular, it is shown that devices based on 2Fe‐aGNR approach the limit of half‐metallicity, where the magnitude and the sign of the current spin polarization is controlled by the bias across the device as well as the spin state of the 2Fe subsystem. This effect is rationalized by electronic structure and partial‐density‐of‐states (PDOS) analysis of the transmission element. An occupied spin minority state, induced by the Fe‐atom moiety and close to the Fermi energy of 2Fe‐aGNR, accounts for the predominance of minority spin polarization. Comparison with nanosystems obtained from 2Fe‐aGNR, involving vacancies rather than impurities, or both types of defects, reveals that substantial degrees of current spin polarization prevail across a wide variety of device types.
Specific Organocatalysis in Amidation Reaction of Fatty Acid Methyl Esters with 3‐(Dimethylamino)‐1‐propylamine
Authors: Shirshin Konstantin K. , Esipovich Anton L. , Kazantsev Oleg A. , Rumyantsev Misha , Korotaev Mikhail S. , Rogozhin Anton E. 
Published: January 2021

AbstractComparison of various organic compounds such as glycols, amines and alkanolamines as organocatalysts in amidation of fatty acid methyl esters with 3‐(dimethylamino)‐1‐propylamine was made for the first time. It was experimentally detected that catalysts containing OH‐groups (alcohols, glycols, glycerol and aminoalcohols) influence the reaction rate. Moreover, catalytic effect is depending on the catalysts geometry significantly. 1,5‐diols (e. g. diethylene glycol and diethanolamine) were found to accelerate the reaction more than other OH‐groups containing additives. It was supposed, that this catalytic effect is caused by specific associative interactions between reactants and 1,5‐diols, what was confirmed by quantum mechanics calculations. Catalysts concentration effects on the reaction rate were also investigated.
NiRu0.3Se Nanoparticles In Situ Grown on Reduced Graphene: Synthesis and Electrocatalytic Activity in the Oxygen Evolution Reaction
Authors: Mehmood Adeel , Ur‐Rehman Zia , Altaf Muhammad , Ashraf Raja Shahid , Sohail Manzar , Isab Anvarhusein A. 
Published: January 2021

AbstractNanoscale transition metal selenides have been tagged as promising electrocatalytic materials for efficient energy conversion. Herein, we report the facile hydrothermal synthesis of NiRu0.3Se nanoparticles, in situ grown on reduced graphene oxide, for oxygen evolution reaction (OER) in water splitting. The crystal phase, morphology and elemental composition of NiRu0.3Se/rGO is well characterized by X‐ray diffraction (XRD), scanning electron microscopy (SEM), X‐ray photoelectron spectroscopy (XPS) and energy dispersive X‐ray spectroscopy (EDX). The composite exhibited hexagonal and cubic phase structure corresponding to NiSe and RuSe2, having irregular morphology. NiRu0.3Se/rGO exhibited superior OER performance than NiSe/rGO requiring an overpotential of 290 mV to generate a benchmarked current density of 10 mA cm−2 in 0.1 M KOH. A small tafel slope of 98 mV dec−1 and long‐term stability endorses the potential of NiRu0.3Se/rGO as an efficient OER electrocatalyst.
Synthesis, TDDFT Calculations and Biological Evaluation of Dicationic Porphyrins as Groove Binders and Antimicrobial Agents
Authors: Mathew Diana , Ramesh Jagadeesan , Sasidharan Santanu , Subburaj Kannan , Saudagar Prakash , Parameswaran Pattiyil , Sujatha Subramaniam 
Published: January 2021

AbstractA2B2 porphyrin bearing 2/3‐thienyl and 2‐pyridyl moieties (P1a, P3a) and its dicationic derivatives (P2a, P4a) were synthesized in reasonably good yield. The corresponding Copper (II) (P1‐4 b) and Zinc (II) metallated (P1‐4 c) analogs were obtained by conventional methods. The synthesized compounds were characterized by various spectroscopic techniques, electrochemical studies and thermogravimetric analysis. The Copper (II) porphyrin, P1b is structurally characterized by single‐crystal X‐ray structure analysis. The ground state electronic structure and geometry optimizations are carried out by DFT calculations. The computed TD‐DFT results validate the observed optical bands and spectral features. DNA interaction studies of trans‐dicationic porphyrins were performed using spectroscopic titrations, docking studies, and gel electrophoresis experiments. All porphyrins interact with the calf thymus DNA by outside groove binding mode with self‐stacking, and the highest intrinsic binding constant of 1.29 ± 0.14×106 M‐1 is observed for P4a. Molecular docking studies reveal that the binding energy of porphyrins with DNA is around −10 kcal/mol. The antimicrobial properties of the dicationic derivatives (P2,4 a, b, c) were investigated against E. Coli and S. aureus under light and dark conditions, and the growth inhibitory effect is found to be negligible when unilluminated.
Stability of the Phosphotriester PDE6D Inhibitors
Authors: Rosenqvist Petja , Sabt Ahmed , Dyunyasheva Venera , Abankwa Daniel , Virta Pasi , Ora Mikko 
Published: January 2021

AbstractThe kinetics for the cleavage of the phosphotriester PDE6D inhibitors 1 (Deltaflexin‐2) and 3 (Deltaflexin‐1) and their derivatives 2, 4 and 5 is presented under various conditions in aqueous solutions. The conversion of the phosphotriesters (1–5) into the phosphodiesters 1**–5** was detected to take place as a major degradation process. In the absence of enzyme, the 4‐acetylthio‐2,2‐dimethyl‐3‐oxobutyl protected compounds (1, 4 and 5) are one order of magnitude more stable than the 4‐acetylthio‐2‐ethoxycarbonyl‐3‐oxo‐2‐methylbutyl protected ones (2 and 3). In cell culture (DMEM) containing fetal bovine serum and l‐glutamine, an intermediary formation of S−S‐dimer competed with the removal of the protecting group after deacetylation of the starting material. In addition, the susceptibility of the compounds to amine nucleophiles as well as their stability under acidic and basic condition were determined in non‐aqueous solutions.
Effect of Benzene Derivatives as Guest Molecules on Semiconductor Properties of MOF‐199
Authors: Zahadiya Haleemathul , Wijesundera Ruwan P. , Hettiarachchi Champika V. , Perera Ishanie R. 
Published: January 2021

AbstractA metal organic framework, MOF‐199, has been synthesized under solvothermal conditions. Powder X‐ray diffraction (PXRD) pattern, Fourier‐transform infrared spectra (FT‐IR) and scanning electron microscopic images (SEM) confirmed the formation of the expected MOF‐199 structure. The semiconductor properties of MOF‐199 were then fine‐tuned by introducing three benzene derivatives as guest molecules (aniline, m‐aminobenzoic acid and p‐benzoquinone). Modified MOF‐199 samples were characterized using PXRD and FT‐IR. Mott‐Schottky analysis and solid‐state UV‐visible spectroscopy were used to investigate the semiconductor properties of these materials. Once MOF was modified with benzene derivatives, slight changes in d spacing values of PXRD patterns and appearance of new peaks in FT‐IR spectra were observed. The Mott‐Schottky analysis of modified MOF‐199 demonstrated an enhancement in the carrier concentration up to 83 % and a negative potential shift of the flat band potential compared to pure MOF‐199, indicating a higher degree of band bending. According to the solid‐state UV‐visible spectra, doping with organic molecules reduced the bandgap in modified MOF‐199. Thus, this study evidently showcases the potential of fine‐tuning the semiconductor properties of a MOF according to the requirement that allows a single MOF to be utilized in a variety of applications with a simple modification.
Direct Conversion of Agarose into Alkyl Mono‐ and Disaccharide Surfactants Based on 3,6‐Anhydro L‐ and D‐Galactose Units
Authors: Wang Yunhui , Renault Louise , Guégan Jean‐Paul , Benvegnu Thierry 
Published: January 2021

AbstractIn this work, a new type of agaran‐derived non‐ionic surfactants has been prepared through the one‐pot transformation of agarose into 3,6‐anhydro L‐ and D‐galactose acetal monomers and dimers possessing one or two alkyl chains according to the cyclic or open form of the L‐ and D‐galactose units. The two steps process involves the butanolysis of agarose into butyl mono‐ and disaccharide 3,6‐anhydro L‐ and D‐galactose acetals promoted by the presence of Amberlyst‐15Dry, followed by the transacetalization with n‐dodecanol using the same acid catalyst. The chemical structures of the alkyl mono‐ and disaccharide surfactants were fully characterized by 1D and 2D NMR experiments. Surface activities of these products in a pure form or as mixtures were investigated depending on their hydrophilicity/hydrophobicity and quite low values of superficial tensions (<27 mN m−1) and sunflower seed oil/water interfacial tensions (∼5 mN m−1) were obtained.
Simultaneous Domestic Wastewater Treatment and Electricity Generation in Microbial Fuel Cell with Mn(IV) Oxide Addition
Authors: Ni Jin , Steinberger‐Wilckens Robert , Wang Qunhui 
Published: January 2021

AbstractCompared to traditional domestic wastewater treatment methods, microbial fuel cells (MFCs) with Manganese(IV) (Mn(IV)) oxide addition were established to promote the degradation efficiency of organics in domestic wastewater and generate electricity simultaneously. Activated sludge consists of various electricigen and Mn(IV) oxide acts as an excellent electron acceptor. Results showed that the MFC with Mn(IV) oxide addition obtained higher total organic carbon and chemical oxygen demand removal efficiencies in domestic wastewater than without Mn(IV) oxide addition and in an open circuit system, and produced a maximum output power density of 0.946 W m−3 with a corresponding maximum voltage density of 0.915 V L−1. Cyclic Voltammograms (CVs) indicated that the current density of the MFC with Mn(IV) oxide addition reached 2.21 mA cm−2 at the peak separation of 0.26 V, whereas the current density of the MFC only was up to 1.15 mA cm−2 at 0.443 V. Linear Sweep Voltammetry (LSV) showed the half‐wave potential and limiting current density of the MFC with Mn(IV) oxide addition as 71 mV and 4.24 mA cm2 respectively, which were higher than corresponding values (36 mV and 3.65 mA cm−2) of the MFC. Tafel curves illustrated the MFC with Mn(IV) oxide addition showed a lower anodic Tafel slope of 6.14±0.393 V−1, confirming the MFC with Mn(IV) oxide addition enabled faster electron‐transfer kinetics as compared to the MFC.
Implementation of Diverse Synthetic and Strategic Approaches to Biologically Active Sulfamides
Authors: Jun Jaden J. , Xie Xiang‐Qun 
Published: January 2021

AbstractSulfamide compounds are an important class of motif in various applications in pharmaceutical agents, agriculture, and material science. In this review, various synthetic strategies toward acyclic and cyclic sulfamide compounds utilizing many different methods are described. Herein, efficient and innovative synthetic methods ranging from small molecules to large rings for bioactive compounds, small molecules, and catalyst development are discussed.
Cobalt Single Atoms Embedded in Nitrogen‐Doped Graphene for Selective Oxidation of Benzyl Alcohol by Activated Peroxymonosulfate
Authors: Li Jiaquan , Zhao Shiyong , Zhang Lianji , Jiang San Ping , Yang Shi‐Ze , Wang Shaobin , Sun Hongqi , Johannessen Bernt , Liu Shaomin 
Published: January 2021

AbstractThe development of novel single atom catalyst (SAC) is highly desirable in organic synthesis to achieve the maximized atomic efficiency. Here, a Co‐based SAC on nitrogen‐doped graphene (SACo@NG) with high Co content of 4.1 wt% is reported. Various characterization results suggest that the monodispersed Co atoms are coordinated with N atoms to form robust and highly effective catalytic centers to activate peroxymonosulfate (PMS) for organic selective oxidation. The catalytic performance of the SACo@NG/PMS system is conducted on the selective oxidation of benzyl alcohol (BzOH) showing high efficiency with over 90% conversion and benzaldehyde selectivity within 180 min under mild conditions. Both radical and non‐radical processes occurred in the selective oxidation of BzOH, but the non‐radical oxidation plays the dominant role which is accomplished by the adsorption of BzOH/PMS on the surface of SACo@NG and the subsequent electron transfer through the carbon matrix. This work provides new insights to the preparation of efficient transition metal‐based single atom catalysts and their potential applications in PMS mediated selective oxidation of alcohols.
Hollow Multishelled Structured SrTiO3 with La/Rh Co‐Doping for Enhanced Photocatalytic Water Splitting under Visible Light
Authors: Wei Yanze , Wan Jiawei , Wang Jiangyan , Zhang Xing , Yu Ranbo , Yang Nailiang , Wang Dan 
Published: January 2021

AbstractLa‐ and Rh‐co‐doped SrTiO3 (STO:La/Rh) hollow multishelled structures (HoMSs) are fabricated by adding La3+ and Rh3+ ions during the hydrothermal process of converting TiO2 HoMSs to STO HoMSs. STO:La/Rh HoMSs have successfully expanded the light absorption edge to 520 nm. Accompanied with the benefits of the unique hierarchical structure and relatively thin shells, STO:La/Rh HoMSs exhibit elevated light‐harvesting capacity and charge separation efficiency. Compared with STO:La/Rh nanoparticles (NPs), STO:La/Rh HoMSs demonstrate enhanced photocurrent response, photocatalytic hydrogen evolution activity, and the quantum efficiency. Moreover, overall water splitting is realized by a Z‐scheme system combining STO:La/Rh HoMSs with BiVO4 (BVO) nanosheets with 1 wt% Pt as the co‐catalyst. Steady evolution of hydrogen and oxygen is performed under both visible light and simulated sunlight irradiation. The solar‐to‐hydrogen efficiency of double‐shelled STO:La/Rh HoMS–BVO photocatalysts reaches 0.08%, which is twofold higher than STO:La/Rh NP–BVO photocatalysts.
Resiliency and post‐earthquake realignment
Authors: Grigorian Mark 
Published: January 2021

SummaryAlthough the mechanics of free‐standing rocking cores have been amply investigated and that numerous replaceable energy dissipating devices with recentring capabilities have been proposed, the literature on complete sustainable earthquake resistant structures has not been fully developed. Seismic sustainability (SS) can be achieved if and only if the structure is capable of collapse prevention (CP) and/or post‐earthquake realignment and repairs (PERR). Rigid rocking core moment frame (RRC‐MF) combinations are special earthquake resistant structures that are capable of damage control, elimination of residual effects, CP, and PERR. High strength cables are commonly utilized as rocking core stabilizers, gap opening and closing regulators as well as energy absorbing devices. RRCs are articulated shear walls developed to reduce relative drift and seismic demand on earthquake‐resistant structures (ERSs), prevent plastic collapse, and help realign the system as needed. After discussing sustainable seismic design (SSD), the mechanics of hybrid rocking–stepping cores and self‐centering steel beams are briefly examined. The following innovations are introduced as part of the current article: (1) introduction to global stiffness reduction (GSR), (2) introduction to restoring force adjustment (RFA), (3) the hybrid rigid rocking–stepping core (RRC), (4) tendon‐enhanced replaceable energy dissipating moment connections (REDMCs), and (5) the heat‐generated realignment system.
Evaluation of short‐term safety of ultrasound‐guided foetal fluid sampling in the dog (Canis lupus familiaris)
Authors: Tal Smadar , Bar‐Gal Gila Kahila , Arlt Sebastian Patrick 
Published: January 2021

AbstractBackground: In humans, analysis of amniotic fluid is widely used for diagnostic and prognostic purposes. Amniocentesis has scarcely been used in veterinary medicine to date, despite a tremendous potential for clinical and research applications in dogs. Our study aimed to establish a safe method for foetal fluid sampling in female dogs.Methods: Two transabdominal ultrasound‐guided methods were assessed: the “free hand” and the needle‐guided bracket sampling. In addition, through a subsequent routinely scheduled ovariohysterectomy, fluid was directly collected. Samples from 98 conceptuses were collected at day 46.7 ± 7.5 of pregnancy.Results: The amount of fluid retrieved varied between 0.5 and 5.0 ml per collection. Macroscopic examination of the uterus and conceptuses identified 53% of the puncture sites. Neither fluid leakage nor foetal injury was detected, and six hematomas (5.8%) were visible. Ultrasound‐guided foetal fluid collection was found to be potentially safe, and it can be performed by using either transabdominal method.Conclusion: Foetal fluid collection is possible with relative ease and low short‐term risk, and may open paths for diagnostic, therapeutic and research purposes in dogs. The procedure can provide new insights into prenatal clinical medicine, including diagnostics of foetal deaths, early identification of heritable diseases and so on.
Fuzzy rough sets and fuzzy rough neural networks for feature selection: A review
Authors: Ji Wanting , Pang Yan , Jia Xiaoyun , Wang Zhongwei , Hou Feng , Song Baoyan , Liu Mingzhe , Wang Ruili 
Published: January 2021

AbstractFeature selection aims to select a feature subset from an original feature set based on a certain evaluation criterion. Since feature selection can achieve efficient feature reduction, it has become a key method for data preprocessing in many data mining tasks. Recently, many feature selection strategies have been developed since in most cases it is infeasible to obtain an optimal/reduced feature subset by using exhaustive search. Among these strategies, fuzzy rough set theory has proved to be an ideal candidate for dealing with uncertain information. This article provides a comprehensive review on the fuzzy rough set theory and two fuzzy rough set theory based feature selection methods, that is, fuzzy rough set based feature selection methods and fuzzy rough neural network based feature selection methods. We review the publications related to the fuzzy rough theory and its applications in feature selection. In addition, the challenges in the two types of feature selection methods are also discussed.This article is categorized under:
Technologies > Machine Learning
Introducing Interface Design for Remote Autonomous Systems
Authors: Oury Jacob D. , Ritter Frank E. 
Published: January 2021

AbstractThis chapter presents a high-level overview of how designers of complex systems can address risks to project success associated with operator performance and user-centered design. Operation Centers for remote, autonomous systems rely on an interconnected process involving complex technological systems and human operators. Designers should account for issues at possible points of failure, including the human operators themselves. Compared to other system components, human operators can be error-prone and require different knowledge to design for than engineering components. Operators also typically exhibit a wider range of performance than other system components. We propose the Risk-Driven Incremental Commitment Model as the best guide to decision-making when designing interfaces for high-stakes systems. Designers working with relevant stakeholders must assess where to allocate scarce resources during system development. By knowing the technology, users, and tasks for the proposed system, the designers can make informed decisions to reduce the risk of system failure. This chapter introduces key concepts for informed decision-making when designing operation center systems, presents an example system to ground the material, and provides several broadly applicable design guidelines that support the development of user-centered systems in operation centers.
Conversations About Climate Risk, Adaptation and Resilience in Africa
Authors: Conway Declan , Vincent Katharine 
Published: January 2021

AbstractThis book contributes to previous and ongoing action to initiate and inform conversations about climate risk and the need for adaptation and resilience building. This involves blending insights from climate science about what the future climate will look like with experiences of the social science of response through adaptation, based on practical applications in a variety of contexts. In this chapter, we reflect on these conversations and what they mean for the growing adaptation agenda. We consider who needs to be involved in conversations about adaptation, how such conversations can be structured and the need to assess their outcomes. We profile important considerations relevant for tailoring climate information to make adaptation decisions and discuss the outcomes of different types of conversations. We conclude by noting the significance of recent major climate events and the rapidly evolving risk landscape in sub-Saharan Africa, and arguing that the need for these conversations is ever more evident. The experiences outlined in this book provide a starting point for conversations about adaptation that aim to inform future action.