bluuebunny/crossref_metadata_2025 huggingface dataset:
Low-threshold near-infrared lasing at room temperature using low-toxicity Ag2Se quantum dots
Authors: Liao Chen , Tang Luping , Wang Liye , Li Yan , Xu Jie , Jia Yunzhe
Published: October 2020

Benefiting from the low (2-fold) degeneracy of the lowest quantized states of orthorhombic Ag2Se quantum dots, room-temperature near-infrared lasing with a low threshold (163 μJ cm−2) is achieved.
Double resonant plasmonic lattices for Raman studies
Authors: Alam Khairul , Kabusure Kabusure M. , Asamoah Benjamin O. , Nuutinen Tarmo , Baah Marian , Mohamed Sughra , Matikainen Antti , Heikkinen Janne , Rekola Heikki , Roussey Matthieu , Kuittinen Markku , Hakala Tommi K.
Published: October 2020

We demonstrate radiation induced enhancement of both the in coupling of the Raman excitation wavelength and Raman signal in plasmonic nanoparticle lattices.
Customizing oil-wettability in air—without affecting extreme water repellency
Authors: Das Avijit , Manna Uttam
Published: October 2020

A common, catalyst-free and facile synthetic approach is introduced for developing three distinct and extremely water repellent coatings that are embedded with different oil wettabilities in air.
Flexible organic field-effect transistor arrays for wearable neuromorphic device applications
Authors: Li Qing-Xuan , Wang Tian-Yu , Wang Xiao-Lin , Chen Lin , Zhu Hao , Wu Xiao-Han , Sun Qing-Qing , Zhang David Wei
Published: October 2020

Flexible organic flash-like synaptic devices have been fabricated on a flexible substrate with the organic C8-BTBT as the conducting channel.
Transition-metal-free cascade benzannulations for synthesizing 2-hydroxybenzophenones
Authors: He Xue-Wen , Zhou Wei , Zhang Min , Tian Min-Yi , Wang Hui-Juan , Tian You-Ping , Liu Xiong-Li
Published: October 2020

A set of cascade benzannulations of readily accessible chromone-3-carboxaldehydes and γ-nitroaldehydes for synthesizing biologically relevant 2-hydroxybenzophenones has been developed.
Asymmetric β,γ′-regioselective [4 + 3] and [4 + 2] annulations of α-vinylenals via cascade iminium ion-dienamine catalysis
Authors: Gao Yang , Song Xue , Yan Ru-Jie , Du Wei , Chen Ying-Chun
Published: October 2020

α-Vinylenal substrates have been designed and applied in β,γ′-regioselective asymmetric [4 + 3] and [4 + 2] annulation reactions via cascade aminocatalysis.
Concomitant emergence of circularly polarized luminescence and single-molecule magnet behavior in chiral-at-metal Dy complex
Authors: El Rez Bahjat , Liu Jiawen , Béreau Virginie , Duhayon Carine , Horino Yuki , Suzuki Takayoshi , Coolen Laurent , Sutter Jean-Pascal
Published: October 2020

Circularly polarized luminescence was evidence in solid state for a chiral-at-metal Dy(iii) single-molecule magnet. This CPL is opposite for the enantiomers and develops when the relaxation of the magnetization for the Dy becomes slower.
Improving the hydrodesulfurization performance of the sulfur-resistant intermetallic Ni2Si based on a MOF-derived route
Authors: Zhang Liangliang , Chen Xiao , Liang Changhai
Published: October 2020

Carbon-supported intermetallic nickel silicide (Ni2Si/C) derived from Ni-MOF-74 as a non-sulfide catalyst presents high activity and sulphur-resistance in the hydrodesulfurization (HDS) of dibenzothiophene (DBT).
Nanoleite: a new semiconducting carbon allotrope predicted by density functional theory
Authors: Li Ru , Burchfield Larry A. , Askar Khalid , Al Fahim Mohamed , Issa Al Nahyan Hamdan Bin , Choi Daniel S.
Published: October 2020

A new carbon allotrope with an indirect bandgap of 2.06 eV has been predicted by density functional theory, which has a high absorption coefficient in the visible spectral range that is suitable for solar cell application.
Ratiometric electrochemical sensor for accurate detection of salicylic acid in leaves of living plants
Authors: Yang Lei , Chen Da , Wang Xiaodong , Luo Bin , Wang Cheng , Gao Guangheng , Li Hongji , Li Aixue , Chen Liping
Published: October 2020

This is the first report on developing a ratiometric electrochemical sensor for detecting SA in the leaves of living plants.
Hydrogen-free hydrogenation of nitrobenzene via direct coupling with cyclohexanol dehydrogenation over ordered mesoporous MgO/SBA-15 supported Cu nanoparticles
Authors: Marella Ravi Kumar , Madduluri Venkata Rao , Lakkaboyana Sivarama Krishna , Hanafiah Marlia M. , Yaaratha Sarala
Published: October 2020

Coupling of nitrobenzene and cyclohexanol over mesoporous Cu/MgO-SBA15 exhibited better conversion of 89% cyclohexanol, 82% nitrobenzene with remarkable yields of cyclohexanone (83%) and aniline (75%). The catalyst has stable activity up to 30 h.
Size and charge correlations in spherical electric double layers: a case study with fully asymmetric mixed electrolytes within the solvent primitive model
Authors: Patra Chandra N.
Published: October 2020

Size and charge correlations in spherical electric double layers are investigated through Monte Carlo simulations and density functional theory, through a solvent primitive model representation.
Application of bacteriocins in food preservation and infectious disease treatment for humans and livestock: a review
Authors: Ng Zhang Jin , Zarin Mazni Abu , Lee Chee Keong , Tan Joo Shun
Published: October 2020

Killing or inhibition actions of (a) antibiotics and (b) bacteriocin on gut microbiota.
Efficient NIR energy conversion of plasmonic silver nanostructures fabricated with the laser-assisted synthetic approach for endodontic applications
Authors: Bulavinets Tetiana , Kulpa-Greszta Magdalena , Tomaszewska Agata , Kus-Liśkiewicz Malgorzata , Bielatowicz Gabriela , Yaremchuk Iryna , Barylyak Adriana , Bobitski Yaroslav , Pązik Robert
Published: October 2020

Energy conversion by plasmonic silver nanostructures fabricated with the laser assisted synthetic approach at room temperature.
Flat corannulene: when a transition state becomes a stable molecule
Authors: Solel Ephrath , Pappo Doron , Reany Ofer , Mejuch Tom , Gershoni-Poranne Renana , Botoshansky Mark , Stanger Amnon , Keinan Ehud
Published: October 2020

The first flat metal-free corannulene derivative was predicted by computations and achieved by synthesis.
A click-flipped enzyme substrate boosts the performance of the diagnostic screening for Hunter syndrome
Authors: Schwarz Markus , Skrinjar Philipp , Fink Michael J. , Kronister Stefan , Mechtler Thomas , Koukos Panagiotis I. , Bonvin Alexandre M. J. J. , Kasper David C. , Mikula Hannes
Published: October 2020

Click-triggered flip of the conformation of a sulfated iduronyl azide afforded a superior enzyme substrate to screen for Hunter syndrome.
Regulation of redox balance using a biocompatible nanoplatform enhances phototherapy efficacy and suppresses tumor metastasis
Authors: Jiang Qunying , Pan Min , Hu Jialing , Sun Junlin , Fan Lei , Zou Zhiqiao , Wei Jianshuang , Yang Xiaoquan , Liu Xiaoqing
Published: October 2020

Amplified oxidative stress achieved by modulating redox homeostasis with PDA–MB for highly effective synergistic phototherapy to inhibit primary tumors and metastases.
Suppressing ice growth by integrating the dual characteristics of antifreeze proteins into biomimetic two-dimensional graphene derivatives
Authors: Liu Xing , Geng Hongya , Sheng Nan , Wang Jianjun , Shi Guosheng
Published: October 2020

Design of biomimetic two-dimensional graphene derivatives to suppress ice crystal growth.
Graphene quantum dot engineered ultrathin loose polyamide nanofilms for high-performance nanofiltration
Authors: Li Yafei , You Xinda , Li Ya , Yuan Jinqiu , Shen Jianliang , Zhang Runnan , Wu Hong , Su Yanlei , Jiang Zhongyi
Published: October 2020

Graphene quantum dot-mediated interfacial polymerization generates ultrathin loose polyamide nanofilms for high-performance nanofiltration.
White light-triggered zwitterionic polymer nanoparticles based on an AIE-active photosensitizer for photodynamic antimicrobial therapy
Authors: Ren Bibo , Li Kaijun , Liu Zheng , Liu Gongyan , Wang Haibo
Published: October 2020

Photodynamic antimicrobial therapy (PDAT) has received enormous attention due to its excellent spatiotemporal accuracy, non-invasiveness, and anti-multidrug resistance properties compared with chemotherapy.
Thiol–yne crosslinked triarylamine hole transport layers for solution-processable organic light-emitting diodes
Authors: Kutonova Ksenia , Ebenhoch Bernd , Graf von Reventlow Lorenz , Heißler Stefan , Rothmann Lukas , Bräse Stefan , Colsmann Alexander
Published: October 2020

Formation of conjugated polymer thin-flim network by UV-triggered thiol–yne reaction of triarylamines and its use for hole transport in OLED.
Novel and asymmetric S,N-heterocyclics with fused six-membered rings for organic field effect transistor applications
Authors: Liao Hailiang , Chen Meng , Sun Jian , Haseena Sheik , Ravva Mahesh Kumar , Xiao Chengyi , Zhang Lei , Wang Yazhou , Li Zhengke , Yue Wan
Published: October 2020

Three novel ladder-type and asymmetric S,N-heterocyclics with fused six-membered rings have been designed and synthesised, their packing modes, opto-electronic property and charge transport abilities have also been evaluated systematically.
CNT@NiO/natural rubber with excellent impedance matching and low interfacial thermal resistance toward flexible and heat-conducting microwave absorption applications
Authors: Zhou Maofan , Wan Gengping , Mou Pengpeng , Teng Shengjie , Lin Shiwei , Wang Guizhen
Published: October 2020

Herein, CNT@NiO/natural rubber composites were fabricated to apply as flexible and heat-conducting microwave absorption materials.
Wavelength-tunable linearly polarized luminescence film constructed using a highly efficient luminescent liquid crystal with stimuli-responsive property
Authors: Tao Lei , Lan Kai , Zhong Cheng-Long , Zhou Ying-Jie , Wang Ping , Fan Fan , Shen Zhihao , Xie He-Lou
Published: October 2020

A wavelength-tunable linearly polarized luminescense is prepared byin situphotopolymerization of a reactive luminescent monomer with stimuli-responsive behavior.
Mapping temperature-dependent energy–structure–property relationships for solid solutions of inorganic halide perovskites
Authors: Yang Jack
Published: October 2020

We explored how lead/tin mixing affects the finite-temperature stabilities, atomistic and electronic dynamics of inorganic halide perovskites, with the aid of unsupervised machine learning and the recently devised anharmonicity score.
PROMETHEE‐based hybrid feature selection technique for high‐dimensional biomedical data: application to Parkinson's disease classification
Authors: Chaudhuri A. , Sahu T.P.
Published: October 2020

Biomedical data are being collected for fields like cancer diagnosis and prognosis, brain signals, speech signals, genetic engineering to name a few. These data are very high dimensional these days, which makes it difficult to extract knowledge out of it through machine learning algorithms. In this work, the authors proposed a hybrid feature selection method based on a multi‐attribute decision‐making method PROMETHEE (preference ranking organisation method for enrichment evaluations) and Jaya optimisation algorithm. Their proposed method works in two phases. In the first phase, five filter methods are applied to get the ranking for each feature of the data set. In the second phase, all the five individual ranks are used as input choices for PROMETHEE which gives us a final rank for all the features. Then the top 3% features are selected for training the machine learning model. This technique is applicable for feature reduction in any high‐dimensional biomedical data. Here, they have studied Parkinson's disease data set. The result shows that the proposed method improves the classification accuracy by 13.73% and that too in a minimum amount of time with a minimum number of features. Hence, this method can be used as an essential pre‐processing step for high‐dimensional biomedical data.
Research on load transfer strategy optimisation with considering the operation of distributed generations and secondary dispatch
Authors: Jiang Wei , Wu Lei , Zhang Lizong , Jiang Zhengwei
Published: October 2020

In this study, a three‐stage optimisation method for distribution system load transfer scheme with consideration of the participation of distributed generations (DGs) is proposed. The algorithm aims to recover loads from the large‐scale power outage caused by substation‐complete‐shutdown accidents (SCSAs), thus improving the power supply reliability. First, the principle of the SCSA load transfer strategy considering DGs and the secondary dispatch is introduced. The capacities of DGs were used to provide the additional power supply in grid‐connected or island operations. Meanwhile, to relieve the stress of the backup substation for further load transfer, a secondary dispatch strategy is proposed to dispatch loads among the direct‐connected and secondary‐connected substations. Afterwards, a three‐stage optimisation model is built to obtain the optimal load transfer scheme. The first‐stage optimisation determines the island partitions in the unrecovered areas. The second‐stage optimisation comprises a tie‐line transfer model considering the load importance and the recovery time. The third‐stage optimisation intends to determine the optimal secondary dispatch to achieve a better overall recovery rate. Case study results prove that the proposed three‐stage optimisation method can improve the overall load recovery rate while ensuring the reliability of important loads and the operation safety of the system.
Noise‐aware manoeuvring target tracking algorithm in wireless sensor networks by a novel adaptive cubature Kalman filter
Authors: Fang Xuming , Chen Lijun
Published: October 2020

Current target tracking algorithms for wireless sensor networks in noise environments have large positioning errors. Owing to the environmental noise, Kalman filters (KFs) are used to estimate the target position. To reduce the adverse effect of unknown or time‐varying noise on KFs, adaptive KFs (AKFs) are developed. However, the present AKFs can only achieve second‐order estimation accuracy. To improve the existing target tracking algorithm's positioning accuracy under unknown and time‐varying noise environments, the authors propose a noise‐aware algorithm based on a novel third‐order adaptive cubature KF (ACKF) with higher estimation accuracy, which improves the accuracy of the existing algorithm by up to 63%. The innovative ACKF contains a new third‐order noise statistic estimator and a traditional cubature KF without noise perception. A large number of numerical simulations and practical experiments show that the proposed noise‐aware target tracking algorithm based on the novel ACKF is always more accurate than the target tracking algorithms based on the current KFs, no matter whether the moving target is manoeuvring or not, whether the strength of the noise is small or large, whether the number of anchor nodes is many or few, and whether the noise is time‐varying or constant.
Synthesis of hierarchical porous ZnO/Ag microspheres with enhanced photocatalytic activity
Authors: Cai Honglan , Qiao Qingan , Guo Zhenliao , Sun Lixiang , Ren Shuhua , Zhu Dongdong , Yin Ping
Published: October 2020

Hierarchical porous zinc oxide (ZnO)/silver (Ag) microspheres were prepared by two‐step method. The porous ZnO microspheres were prepared firstly, and then Ag nanoparticles were evenly anchored on the surface of ZnO microspheres by Sn2+ activation method. The results show that ZnO is wurtzite phase, and Ag particles are only coated on the surface of ZnO microspheres. Compared with pure ZnO, there are two obvious absorption peaks of Ag‐doped ZnO, which corresponds to the ultraviolet absorption peak of ZnO and the plasma resonance absorption peak of Ag, respectively. The intensities of photoluminescence peak of ZnO/Ag microspheres are significantly lower than that of pure ZnO. Moreover, ZnO/Ag microspheres show higher photocatalytic activity than ZnO, which may be attributed to the existence of highly dispersed Ag.
Master equation theory applied to the redistribution of polarized radiation in the weak radiation field limit
Authors: Bommier Véronique
Published: October 2020

Context. This paper presents a numerical application of a self-consistent theory of partial redistribution in nonlocal thermodynamical equilibrium conditions, developed in previous papers of the series.

Aims. The code was described in IV of this series. However, in that previous paper, the numerical results were unrealistic. The present paper presents an approximation able to restore the reliability of the outgoing polarization profiles.

Methods. The convergence of the results is also proved. It is demonstrated that the step increment decreases like 1/Nα, with α >  1.

Results. Thanks to these additions, the results series behaves like a Riemann series, which is absolutely convergent. However, convergence is not fully reached in line wings within the allocated computing time. Development of efficient acceleration methods would be desirable for future work.

Conclusions. Agreement between the computed and observed linear polarization profiles remains qualitative only. The discrepancy is assigned to the plane parallel atmosphere model, which is insufficient to describe the chromosphere, where these lines are formed. As all the integrals are numerical in the code, it could probably be adapted to more realistic and higher dimensional model atmospheres. However, this is time consuming for lines with a hyperfine structure, as in the Na I D lines. The net linear polarization observed in Na I D1 with the Zürich Imaging Polarimeter ZIMPOL mounted on the McMath-Pierce telescope at Kitt Peak is not confirmed by the present calculations and could be an artefact of instrumental polarization. The presence of instrumental polarization could be confirmed by the higher linear polarization degree observed by this instrument in the Na I D2 line center with respect to the present calculation result where the magnetic field is not accounted for. At this precise point, the Hanle effect acts as a depolarizing effect in the second solar spectrum. The observed linear polarization excess is found to be of the same order of magnitude in both line centers, namely 0.1%, which is also comparable to the instrumental polarization compensation level of this experiment.
Experimental adsorption and desorption characterization of a gasoline-fueled vehicle carbon canister for European application filled with n-butane and nitrogen mixtures
Authors: Romagnuolo Luca , Ponticelli Marcello , Fortunato Francesco , Mirante Vincenzo , Sammarco Mario , Frosina Emma , Andreozzi Assunta , Senatore Adolfo
Published: October 2020

The evaporative emission control system (EVAP system) is the most commonly used strategy to limit the unburned petrol vapor emissions from a gasoline-fueled vehicle fuel tank, in order to comply with the international regulations on Volatile Organic Compounds (VOCs) emission. A carbon canister is used to collect and store the gasoline vapors generated in the tank, then it is purged by the engine intake manifold depression and the vapors are burned in the engine along with the fresh charge. In this activity, a 1.0 L carbon canister for European gasoline vehicles, provided by FCA, has been used for an experimental analysis, in order to characterize its adsorption and desorption behavior. A standard mixture of n-butane and nitrogen (40 g/h of n-butane, 50% vol. with nitrogen) has been used for loading the canister to breakthrough (2 g); canister purging has been performed with 3000 bed volumes of nitrogen flux at 25 L/min. Tests have been performed in FCA laboratories, at the Pomigliano Technical Center. Canister mass gain has been measured during the tests and after each test with a precision weight scale. Internal temperatures have also been measured by K-type thermocouples placed inside the carbon bed; due to the adsorption process, bed temperatures can reach 70 °C. After several tests, results on mass gain show an “aging” trend of the activated carbons.
Adsorption Technique for Drainage Water Treatment
Authors: Saleh May Samir , Hamad Huda T.
Published: October 2020

This study evaluated the suitability of an adsorption technique in drainage water treatment for irrigation purposes. The water samples for this study were sourced from different spots of Al-MASAB AL A’AM river. Three different locations (Latifia, Yusufiyah, and Swerah area) were considered in this study. Several studies have reported the use of activated carbon and ion exchangers for water treatment. In this work, a cheap alternative bio-filtration media (activated carbon derived from Apricot stones (ASAC)) was used. Several parameters are required in this technique for various estimations; such parameters include the chemical and physical properties of the water samples (like the pH, ionic concentration, electrical conductivity (EC), and total dissolved solids (TDS). The Freundlich equations was also applied to study the chemical adsorption process using ASAC. Also calculated were the adsorption constant (k) and the number of adsorbents (n). From the results of this study, the applied process was suitable for the removal of Ca+2, Mg+2andCO3-2ions from the sampled water.
Contribution of waste bank in reducing greenhouse gas emissions in Bandung Regency
Authors: Nurani Idea Wening , Wibowo Sandy Budi , Prihastopo Zithny Ilman , Pelangi Aura Puteri , Sunardi Sunardi
Published: October 2020

Households with all their activities produce waste which can be a source of GHG emissions if not managed properly. Reducing waste from its source is one of the ways to reduce GHG emissions. In Bandung Regency, one of the ways to reduce household waste is by running the Waste Bank program. Research is needed to find out how much the reduction of GHG emissions from waste management in the Waste Bank. This study used a combination of quantitative and qualitative methods with descriptive analysis including IPCC method to estimate GHG emission reductions from waste management and in-depth interview with the operators in one of the Master Waste Banks (Bank Sampah Induk) in Bandung Regency, Y Waste Bank. The results showed that the potential GHG emission reductions from Y Waste Bank reached 0.016 Gg CH4or equivalent to 401.273 tons of CO2eq, reducing GHG emissions from total household waste in Bandung Regency by 0.0007 %. Program and technology innovations and also assistance for customers or fostered groups are expected to be able to increase the quantity of waste managed at the Y Waste Bank up to the household level so that it can give higher contribution in reducing GHG emissions in Bandung Regency.
Influence of voltage reserve on the parameters of parallel power active compensators in mining
Authors: Kolb Andrii , Pazynich Yuliya , Mirek Adam , Petinova Oksana
Published: October 2020

The static and dynamic reserve of voltage in input of voltage autonomous inverter being a component of parallel power active compensator on the physical realizability of inactive current components with the determined response, pulsations amplitude and commutation frequency of invertor switches was considered. Invariance of closed system of automated power quality regulation with relay control to the parametric and external disturbances is provided by the dynamic voltage reserve calculated from the obtained expressions. Special attention is given to the possibility of using this system in mining. Proposed approaches also can be used in the training of engineers in the electrical and mining industries.
Dependence of the mined ores quality on the geological structure and properties of the hanging wall rocks
Authors: Petlovanyi Mykhailo , Ruskykh Vladyslav , Zubko Serhii , Medianyk Volodymyr
Published: October 2020

Paper presents the research results of the relationship revealed between the mined ore dilution factors and the geological structure and properties of the hanging wall rocks. The research methodology is in the analysis of the structure and properties of the hanging wall rocks, the technological parameters of the stopes in contact with the host rocks, the processing of actual surveying data of the rockfall volumes and dilution factors, the construction of a 3D model of the mined floor with the stopes divided according to the sequence of mining. The peculiarities have been revealed of changing the geological structure along the strike of the ore deposit with a characteristic distinguished tendency to decreasing the hardness of hanging wall rocks, the angle of the ore deposit slope, increasing the deposit thickness and replacing the morphological composition of the rocks with the division into 3 characteristic differing areas. New patterns and empirical equations have been determined for changing the ore dilution value in the primary stopes depending on the type, hardness coefficient and the contact area of the hanging wall rocks with the inclined outcropping of the stopes. A multiple regression equation has been obtained of the relation between the primary stopes dilution with the rocks hardness within f = 11 – 15 and the contact area of the stopes with rocks 780 – 2010 m2. The regression model variability of 85.96% evidences its reliability and representativeness. The methodological approach proposed in the paper can be used to develop an improved methodology for predicting the mined ores dilution when mining the Pivdenno-Bilozirske field, supplemented by a more complete data set to increase reliability.
Phenomenological model of an open-type geothermal system on the basis of oil-and-gas well
Authors: Fyk Mykhailo , Biletskyi Volodymyr
Published: October 2020

This paper relates to mining-well technologies. A theoretical and methodological approach is proposed to modeling geothermal well systems, which includes the development of: principal technological scheme of a geothermal system; schemes of transformation and movement of energy and a heat-transfer medium; the geothermal system phenomenological model; analysis of subprocesses and obtaining their mathematical models and, on this basis, the mathematical model of the geothermal model as a whole. An example of an advanced open-type geothermal well system is studied, which is based on the oil-and-gas well with one loop of circulation and the parallel connection of heat pumps at characteristic points of the system. The subprocesses of the developed phenomenological model are analysed and the characteristic features of their mathematical description are revealed; in particular, it is substantiated that the redistribution of heat power entering from a fluid-saturated bed is substantially dependent on the lateral wellbore geometry. Another important feature is to model the downhole heat pump and the modes in the scheme as a whole, which is based on the mass flow rate of a heat-transfer medium in its circulation loop. A generalized formula is presented for the heat power of the analysed advanced geothermal well system.
Estimation of minimum volume of bounding box for geometrical metrology
Authors: Chelishchev Petr , Sørby Knut
Published: October 2020

This paper presents algorithms for estimating the minimum volume bounding box based on a three-dimensional point set measured by a coordinate measuring machine. A new algorithm, which calculates the minimum volume with high accuracy and reduced number of computations, is developed. The algorithm is based on the convex hull operation and established theories about a minimum bounding box circumscribing a convex polyhedron. The new algorithm includes a pre-processing operation that removes convex polyhedron faces located near the edges of the measured object. As showed in the paper, the solution of the minimum bonding box is not based on faces located near the edges; therefore, we can save computation time by excluding them from the convex polyhedron data set. The algorithms have been demonstrated on physical objects measured by a coordinate measuring machine, and on theoretical 3D models. The results show that the algorithm can be used when high accuracy is required, for example in calibration of reference standards.
Techniques of Automatic Modeling for Four-Way-Shuttle Based Storage and Retrieval System Based on Flexsim
Authors: Cheng Wang , Zhuan Wang , Yu Wang
Published: October 2020

With the rapid development of China’s logistics technology, four-way-shuttle based storage and retrieval system( FWSBS/ RS) is gaining more and more attention by virtue of its flexibility, convenience and efficiency as a new automated storage technology, but it takes more time for the conventional simulation, which brings inconvenience to the early planning and modeling of the logistics system. Based on Flexsim, an automatic 3D modeling system of four-way shuttle with user-defined parameters is developed by using the idea of automatic modeling. The corresponding task list was automatically executed and the warehousing operation was performed. The utilization rate of relevant equipment and the efficiency of the system were counted. The system makes modeling more efficient and convenient, In addition, it reduces the difficulty of using Flexsim and extends its application in intelligent manufacturing simulation. The example application shows that the system has excellent performance and good interactivity, which can better meet the needs of planners and designers.
Préparation mentale en pôle espoirs rugby : impact sur les habiletés mentales, la motivation, le stress, la récupération et les blessures
Authors: Delaunay Elodie , Zamia Sébastien , Bouthier Sylvain , Ruffault Alexis
Published: October 2020

L’objectif de cette étude est d’évaluer l’impact d’une intervention de préparation mentale sur les habiletés mentales, la motivation à pratiquer le rugby, le stress, la récupération et la survenue de blessures auprès de rugbymen espoirs. Vingt-quatre joueurs d’une Académie pôle espoirs rugby ont participé à cette étude pendant une saison. Quatre séances de préparation mentale comprenant de la fixation d’objectifs et de la focalisation attentionnelle ont été délivrées en début de saison, à la suite desquelles un carnet d’entraînement a été distribué aux joueurs. Une séance de révision des objectifs a été ajoutée à la mi-saison. Les habiletés mentales, la motivation, le stress et la récupération en contexte sportif ont été mesurés par des questionnaires. L’utilisation du carnet d’entraînement et la survenue de blessures ont été récoltées de manière prospective. Les résultats montrent que l’intervention a été suivie d’une augmentation des scores de motivation intrinsèque et des stratégies de récupération spécifiques. Les joueurs de deuxième et troisième années semblent plus sensibles à l’intervention que les nouveaux joueurs. Cette étude met en évidence l’importance d’un accompagnement individualisé en préparation mentale ainsi que la poursuite des recherches sur les effets psychologiques et comportementaux des interventions.
§132i-Verträge: Aktueller Stand (Stellungnahme: PD Dr. Koscielny). Aktuelle Kritik zu Bestrebungen der Digitalisierung im Gesundheitswesen (Stellungnahme: PD Dr. Sucker)
Authors: Koscielny Jürgen , Sucker Christoph , Kappert Günther
Published: October 2020

§132i-Verträge: Aktueller Stand. Stellungnahme von Priv.-Doz. Dr. med. Jürgen Koscielny, Ärztlicher Verhandlungsführers der §132i SGB V Verträge, Vorsitzender des BDDH

Hintergrund und Auftrag Mit dem
GSAV
(Gesetz für mehr Sicherheit in der Arzneimittelversorgung) sollen eine bessere Zusammenarbeit von Bundes- und Länderbehörden sowie eine stärkere Kontrolle von Arzneimittelherstellern und Apotheken erreicht werden. Der Bund soll erweiterte Befugnisse zur Verbesserung der Arzneimittelsicherheit erhalten. Informationen über die Hersteller der Wirkstoffe in Arzneimitteln werden in Zukunft öffentlich zur Verfügung gestellt. Um Lieferengpässen bei Medikamenten entgegen zu wirken, werden Krankenkassen verpflichtet, bei Rabattverträgen künftig die Vielfalt der Anbieter zu berücksichtigen. Schließlich enthält das Gesetz einen Fahrplan zur schrittweisen Einführung des elektronischen Rezepts. Für Arzneimittel zur Versorgung von Patientinnen und Patienten mit hämophilen Gerinnungsstörungen, wird die bisherige Ausnahme vom Apothekenvertriebsweg (Direktvertrieb des Herstellers mit Ärzten und Krankenhäusern) zurückgenommen. Die Neuregelungen zum Vertriebsweg sowie die entsprechende Anpassung der Arzneimittelpreisverordnung und des Apothekengesetzes treten erst am 01.09.2020 in Kraft, auch infolge des vom BDDH initiierten und konzertierten Appells an den Bundesgesundheitsminister und die Gesundheitsbehörden der Bundesländer vom 24.03.2020 zur Verschiebung der Umsetzung des Vertriebsweges von Gerinnungsfaktorenzubereitungen.
Therapiezieländerung in der Kardiologie am Beispiel der Herzinsuffizienz
Authors: Heppner Hans Jürgen , Lente Alina , Hag Haitham
Published: October 2020

Die demografische Entwicklung sowie der Anstieg chronischer Erkrankungen und der Fortschritt in der Medizin bewirken, dass der Anteil alter und hochbetagter Patienten in den Krankenhäusern aller Versorgungsstufen stetig ansteigt. Viele kardiovaskuläre Erkrankungen münden letztendlich in eine Herzinsuffizienz. Die Herzinsuffizienz zählt zu den häufigsten Ursachen für Krankenhauseinweisungen. Mit etwa 35 000 Sterbefällen im Jahr blieb die Krankenhaussterblichkeit der Herzinsuffizienzpatienten unverändert hoch. Wenn hierbei das Therapieziel nicht mehr klar zu formulieren ist oder der Patientenwunsch der medizinischen Indikation entgegensteht, muss eine Therapiezieländerung hin zur Palliation besprochen und umgesetzt werden. Ziele der Palliativversorgung bei Herzinsuffizienz sind die Symptomlinderung und die Verbesserung der Kommunikation. Entscheidend ist die frühzeitige, individuelle und zielgerichtete Vorsorgeplanung, einschließlich Patientenaufklärung. So lassen sich bei
einer Therapiezieländerung im Rahmen der Palliativversorgung Lebensqualität und Zufriedenheit sowohl vom Patienten als auch der Angehörigen verbessern. Palliative Konzepte müssen integraler Bestandteil in der interdisziplinären Versorgung von Kardiologie, Geriatrie und Palliativmedizin sein.
Die Prothese zum Begleiter machen – Amputationen Teil 3: Gangschulung und Vorbereitung auf den Alltag
Authors: Brandt Hanna
Published: October 2020

Patienten nach einer Amputation am Bein zu behandeln ist nicht für jeden Therapeuten Alltag. Unsere dreiteilige Serie frischt Ihr Wissen über Theorie und Nachversorgung auf. Teil 3 befasst sich mit dem Gehen mit Prothese, der richtigen Technik, für die Krankenkassen relevante Assessments und dem Verständnis für die Prothese.
High Prevalence of Adrenal Remnant Tissue in Patients Undergoing
Bilateral Adrenalectomy for Cushing’s Disease
Authors: Wilson Julian B. , Zopey Mohan , Augustine Jaimie , Schaffer Randolph , Chiang Manfred , Friedman Theodore C.
Published: October 2020

Bilateral adrenalectomy (BLA) is a treatment option for patients with
Cushing’s Disease (CD) if transsphenoidal pituitary surgery fails or
is not a therapeutic option. For most patients, BLA eliminates endogenous
glucocorticoid and mineralocorticoid production, but for a small number of
patients, endogenous secretion of adrenal hormones from adrenal tissue
continues or recurs, leading to signs and symptoms of hypercortisolism. If
adrenal tissue is confined to the adrenal bed, it is considered adrenal
remnant tissue, while if it is outside the adrenal bed, it is
considered adrenal rest tissue. We retrospectively evaluated morning
serum cortisol, nighttime serum cortisol, nighttime salivary cortisol, and
24-h urine free cortisol on at least three occasions in 10 patients
suspected of having endogenous cortisol production. Imaging of adrenal
remnant tissue was also reviewed. Ten of 51 patients who underwent BLA
during this time period had adrenal remnant/rest tissue marked by
detectable endogenous glucocorticoid production; 9 of the 10 patients had
signs and symptoms of hypercortisolism. Localization and treatment proved
difficult. We conclude that the incidence of adrenal remnant/rest
tissue in those undergoing BLA following unsuccessful pituitary surgery was
12% although there may have been a selection bias affecting this
prevalence. The first indication of remnant tissue occurrence is a reduction
in glucocorticoid replacement with symptoms of hypercortisolism. If this
occurs, endogenous cortisol production should be tested for by cortisol
measurements using a highly specific cortisol assay while the patient is
taking dexamethasone or no glucocorticoid replacement. Endocrinologists need
to monitor the development of both adrenal remnant tissue and
Nelson’s syndrome following BLA.
The Application of 4Å Molecular Sieves in Organic Chemical Syntheses: An Overview
Authors: Hell Zoltán , Magyar Ágnes , Juhász Kinga
Published: October 2020

In the last two decades, considerable attention has been devoted to the use of 4Å molecular sieves (MS 4A) in organic chemical syntheses. Initially, they were applied as drying agents in order to dry gases, solvents and liquid reagents. Nowadays, there is a growing tendency to apply MS 4A as an additive, catalyst, co-catalyst or catalyst support in organic reactions. In this review, we aim to summarize the recent examples of organic syntheses promoted by MS 4A from 1997 to 2020. We hope to provide the reader with an overview of the potential of MS 4A in the field of organic synthesis.

1 Introduction

2 Application as an Additive

3 Application as Catalyst

4 Application as Co-catalyst

5 Application as Support

6 Conclusion
Vortex solutions in two-dimensional Bose–Einstein condensates with attraction
Authors: Yang Jianfu , Yang Jinge
Published: October 2020

In this paper, we study the existence and concentration of normalized solutions to the nonlinear Schrödinger equation −Δu+k2|x|2u+Ωr2|x|2u−2g|u|2u=2ωu in R2 with ∫R2|u|2dx=1, where ω is the Lagrange multiplier, Ωr is the radial trapping frequency, and g > 0. We show that there is a gk*>0 such that the problem has a ground state solution ug if 0<g<gk* and such a solution does not exist if g≥gk*. Furthermore, we study the limiting behavior of ug when g→gk*.
Bilayer liquid-filled compound microlens arrays: A way to compensate aberration
Authors: Gu Tongkai , Wang Lanlan , Mao Mao , Han Jie , Li Rui , Zhang Yajun , Lei Biao , Jiang Weitao , Liu Hongzhong
Published: October 2020

The compound liquid microlens arrays (MLAs) with complementary aberrations possess significant applications in integrated optics and optical imaging systems. We fabricate bilayer liquid-filled compound MLAs by three-dimensional printing, micro-nano imprinting, and microinjection. It is found that the focal length and spherical aberration of the bilayer MLAs are 0.7394 times and 0.728 times that of monolayer MLAs, respectively. The bilayer MLAs with flexible materials have great potential application in high spatial resolution bionic eye for drivable deformation and real-time monitoring.
Transportation of nonlinear radiative heat flux in Al2O3–Cu/H2O hybrid nanofluid subject to dissipation energy: Dual solutions analysis
Authors: Ur Rahman M. Israr , Khan M. Ijaz , Alzahrani Faris , Hobiny Aatef
Published: October 2020

This article examines the flow and transfer of heat created by an exponential shrinking surface containing hybrid nanofluid. Nanoparticles composed of alumina (Al2O3) and copper (Cu) are embedded in water to form Al2O3–Cu/H2O hybrid nanofluid with the mutual impact of magnetohydrodynamics and joule heating. The equations of similarity are obtained from the conducting equation utilizing similarity transformation, and their solutions are obtained through the help of the bvp4c solver using MATLAB software. Outcomes illustrate that there are dual solutions for shrinking strength λ > λc. The critical value λ for the presence of a dual solution decreases for increasing Cu, ∅2, and the Hartman number M. In addition, the skin fraction and the rate of heat transfer increase with increasing ∅2 and M for the first solution. The improvement of the Ecker number, Ec, leads to a decrease in the temperature gradient surface which specifies a reduction in the rate of heat transfer for both solutions when λ < 0 (shrinking sheet).
Shale gas permeability upscaling from the pore-scale
Authors: Germanou Lefki , Ho Minh Tuan , Zhang Yonghao , Wu Lei
Published: October 2020

The effective permeability of large shale samples provides useful insights into shale gas production. However, its determination can only be achieved through upscaling, since the direct pore-scale simulation of gas flows in large rock samples is not feasible due to the high computational cost and absence of pore connectivity in sample images. Although the Brinkman formulation is widely used in the permeability upscaling of conventional rocks, how to choose the effective viscosity in this coarse-scale model is not clear. Moreover, its application in shale rocks, where the rarefaction effects are important so that the conventional Navier–Stokes equations are inadequate, is rare, and its accuracy has not been assessed. This study aims to address the above two problems, by comparing the Brinkman solutions of several two-dimensional and three-dimensional random porous media containing fractures with the fine-scale solutions of the Stokes and Boltzmann equations (for continuum and rarefied gas flows, respectively). It is found that the use of the fluid viscosity in the Brinkman model, instead of the controversial effective viscosity, leads to accurate results for the cases considered. Additionally, the macroscopic quantity in rarefied gas flows in shale rocks is well predicted by the Brinkman model for a wide range of gas rarefaction, since the error is found to be less than 7%, while neglecting the rarefaction effects leads to significant underestimation of effective permeability (up to 90% in the cases studied). Although heterogeneity and anisotropy of the porous medium increase the error of the effective permeability derived from the Brinkman model, generally speaking, the effective permeability extracted from this coarse-scale model compares favorably to its fine-scale counterpart.
Laser emission at 0.89 µm in Nd3+-doped NaYF4 nanocrystalline glass ceramics
Authors: Huang X. Y. , Liu F. T. , Zhang S. Y. , Huang Y. P.
Published: October 2020

Nanocrystalline glass ceramics with different concentrations of Nd3+-doped NaYF4 are prepared by melt quenching. Different characterization methods show that the cubic NaYF4 crystalline phase has been formed. Based on the absorption and emission spectra of samples, the absorption (σabs) and emission (σsem) cross sections of Nd3+ (4I9/2 ↔ 4F3/2) in the NaYF4 nanocrystalline glass ceramics are analyzed. The absorption and emission spectra show typical absorption and emission peaks, suggesting the possibility of concentration quenching. The values of σabs and σsem reach 2.04 × 10−21 cm2 and 1.93 × 10−21 cm2, respectively, which are comparable to those of other glasses, and a positive value of the gain cross section (σg) for 0.89 µm is obtained when the population inversion is chosen as 0.2. The results show that the studied material has promising applications in waveguide lasers and optical amplifiers.
Density functional theory for molecular liquids based on interaction site model and self-consistent integral equations for site–site pair correlation functions
Authors: Yagi Tomoaki , Sato Hirofumi
Published: October 2020

We propose a novel classical density functional theory (DFT) for inhomogeneous polyatomic liquids based on the grand canonical ensemble of a solute–solvent system. Different from the existing DFT for interaction site model developed by Chandler et al. [J. Chem. Phys. 85, 5971 (1986)], the fundamental quantities in the present theory are the radial density distributions around the atomic site of the solute molecule. With this development and the reference interaction site model equation, we provide self-consistent integral equations for calculating the site–site pair correlation function (PCF) and apply it to the structure of the Lennard-Jones dimer, HCl, and H2O molecular fluids. The site–site PCFs obtained from the new scheme agree well with those from Monte Carlo simulation results.
Parameterization of a drug molecule with a halogen σ-hole particle using ffTK: Implementation, testing, and comparison
Authors: Pang Yui Tik , Pavlova Anna , Tajkhorshid Emad , Gumbart James C.
Published: October 2020

Halogen atoms are widely used in drug molecules to improve their binding affinity for the receptor proteins. Many of the examples involve “halogen bonding” between the molecule and the binding site, which is a directional interaction between a halogen atom and a nucleophilic atom. Such an interaction is induced by an electron cloud shift of the halogen atom toward its covalently bonded neighbor to form the σ-bond, leaving a small electrostatic positive region opposite to the bond called the “σ-hole.” To mimic the effect of the σ-hole in the CHARMM non-polarizable force field, recently CGenFF added a positively charged massless particle to halogen atoms, positioned at the opposite side of the carbon–halogen bond. This particle is referred to as a lone pair (LP) particle because it uses the lone pair implementation in the CHARMM force field. Here, we have added support for LP particles to ffTK, an automated force field parameterization toolkit widely distributed as a plugin to the molecular visualization software VMD. We demonstrate the updated optimization process using an example halogenated drug molecule, AT130, which is a capsid assembly modulator targeting the hepatitis B virus. Our results indicate that parameterization with the LP particle significantly improves the accuracy of the electrostatic response of the molecule, especially around the halogen atom. Although the inclusion of the LP particle does not produce a prominent effect on the interactions between the molecule and its target protein, the protein–ligand binding performance is greatly improved by optimization of the parameters.
Computer aided design of stable and efficient OLEDs
Authors: Paterson Leanne , May Falk , Andrienko Denis
Published: October 2020

Organic light emitting diodes (OLEDs) offer a unique alternative to traditional display technologies. Tailored device architecture can offer properties such as flexibility and transparency, presenting unparalleled application possibilities. Commercial advancement of OLEDs is highly anticipated, and continued research is vital for improving device efficiency and lifetime. The performance of an OLED relies on an intricate balance between stability, efficiency, operational driving voltage, and color coordinates, with the aim of optimizing these parameters by employing an appropriate material design. Multiscale simulation techniques can aid with the rational design of these materials, in order to overcome existing shortcomings. For example, extensive research has focused on the emissive layer and the obstacles surrounding blue OLEDs, in particular, the trade-off between stability and efficiency, while preserving blue emission. More generally, due to the vast number of contending organic materials and with experimental pre-screening being notoriously time-consuming, a complementary in silico approach can be considerably beneficial. The ultimate goal of simulations is the prediction of device properties from chemical composition, prior to synthesis. However, various challenges must be overcome to bring this to a realization, some of which are discussed in this Perspective. Computer aided design is becoming an essential component for future OLED developments, and with the field shifting toward machine learning based approaches, in silico pre-screening is the future of material design.