bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enhancing Emotional Experience by Building Emotional Virtual Characters in VR Volleyball Games
Authors: Bai Zechen , Yao Naiming , Mishra Nidhi , Chen Hui , Wang Hongan , Magnenat Thalmann Nadia 
Published: May 2021

AbstractVirtual reality (VR) volleyball games can provide an immersive entertainment experience and facilitate users to get familiar with game rules. In real world, players often experience emotions from scores, strokes, passes, and the influence from their teammates or opponents, and so forth. However, seldom studies are carried out for this emotional experience in a virtual environment, as most VR volleyball games mainly concentrate on the game playing, such as body movements. In this article, we propose to enhance emotional experience by building emotional virtual characters in VR volleyball games. The virtual characters cannot only arouse their emotions but also express their facial expressions according to the game situation. Emotion patterns are learned from real‐world volleyball matches. The results demonstrate that our framework has great potential to enhance the user's emotional experience and engagement.
Expedient Hydrofunctionalisation of Carbonyls and Imines Initiated by Phosphacyclohexadienyl Anions
Authors: Margeson Matthew J. , Seeberger Felix , Kelly John A. , Leitl Julia , Coburger Peter , Szlosek Robert , Müller Christian , Wolf Robert 
Published: May 2021

AbstractThe ability of phosphacyclohexadienyl anions [Li(1‐R‐PC5Ph3H2)] [R=Me (1 a),nBu (1 b),tBu (1 c), Ph (1 d) and CH2SiMe3(1 e)] to initiate hydrofunctionalisation reactions was investigated and compared with simple, commercially available compounds, such as LiOtBu, KOtBu andnBuLi. All compounds are expedient catalysts for the hydroboration of a wide scope of substrates, ranging from aldehydes to imines and esters. In the hydroboration of carbon dioxide, however, only our system was observed to efficiently produce the desired methanol equivalents.
LiAlH4‐catalyzed Imine Hydrogenation with Dihydrogen: New DFT Mechanistic Insights
Authors: Qu Zheng‐Wang , Zhu Hui , Grimme Stefan 
Published: May 2021

AbstractRecently, it was found that the widely used stoichiometric reducing reagent LiAlH4 can also be used as a useful catalyst for imine hydrogenation with H2 under relatively mild conditions. In this work, extensive state‐of‐the‐art DFT calculations are conducted to explore the detailed catalytic mechanism. In sharp contrast to the recent proposal involving heterolytic H2‐activation over Al−N amide bonds after multiple imine insertion, our new mechanism highlights the dual role of the Lewis‐acidic lithium cation in frustrated‐Lewis‐pair‐like activation of both imine substrate and H2 when combined with the aluminum‐bound hydride and amide ligands, respectively. Ionic Li−N amide bonds are about 13 kcal/mol more reactive than Al−N amide bonds for H2 activation, thus providing a useful structural feature for rational design of active hydrogenation catalysts.
Hexagonal Cylinder Mesoporous Sorbent for Separation of Uranium Ions from Nitrate Media
Authors: Elshehy Emad A. 
Published: May 2021

AbstractThe synthesis of mesoporous silica monoliths‐based phosphonate groups (SiO2‐DPTS) through immobilization of diethylphosphatoethyltriethoxysilane using the post‐grafting approach to be applied as a sensitive sorbent for selective separation of U(IV) ions from aqueous solutions is described. The designed SiO2‐DPTS sorbent was characterized by Fourier transform infrared, scanning electron and high‐resolution transmission electron microscopy, scanning transmission electron microscopy/energy‐dispersive X‐ray spectroscopy, N2 adsorption‐desorption, and elemental analysis. The adsorption process was studied under different experimental conditions of pH, concentration, and time. The mechanism of interaction of SiO2‐DPTS with U(VI) ions was explored and supported by density functional theory (DFT) calculations. This synthesized sorbent allows highly efficient extraction of U(IV) ions from uranyl leach liquor.
Stochastic Collision Photoelectrochemistry for Light‐Induced Electron Transfer Dynamics
Authors: Ma Hui , Gosh Utpal Kumar , Ying Yi‐Lun , Long Yi‐Tao 
Published: May 2021

AbstractPhotoelectric energy conversion is an attractive approach to achieve a sustainable society. Efficient photoelectrochemical systems rely on photosensitive nanomaterials with high performance which requires an in‐depth understanding of the intrinsic catalytic properties. Stochastic collision photoelectrochemistry (SCPEC) is a newly emerging field of electrochemistry that allows investigating individual entities at one time under illumination, thus satisfying the demand for the characterization of photosensitive nanomaterials at the single‐entity level. In this minireview, we highlight recent exciting progress on SCPEC in terms of photocatalytic mechanisms, light‐induced electron transfer dynamics, and applications. The technical bottlenecks and current available strategies for ultrafast light‐induced electron detection are discussed. We also summarize the simulation models for SCPEC to understand the photo‐induced electron transfer dynamics and recombination kinetics in a semiconductor film.
Catalytic Asymmetric Synthesis of Benzobicyclo[3.2.1]octanes
Authors: Anif Pasha Mohammed , Peraka Swamy , Ramachary Dhevalapally B. 
Published: May 2021

AbstractLawsone aldehydes were directly transformed into the biologically important, unique carbon skeleton of chiral methanobenzo[f]azulenes/methanodibenzo[a,d][7]annulenes in high dr and ee and in very good yields by using quinine‐thiourea‐catalyzed tandem Wittig/intramolecular Michael/intramolecular aldol reactions. This asymmetric catalytic tandem protocol will be highly useful because these final molecules are basic skeletons of important antibiotics.
Design, Synthesis, and Biochemical Evaluation of Alpha‐Amanitin Derivatives Containing Analogs of thetrans‐Hydroxyproline Residue for Potential Use in Antibody‐Drug Conjugates
Authors: Matinkhoo Kaveh , Wong Antonio A. W. L. , Hambira Chido M. , Kato Brandon , Wei Charlie , Müller Christoph , Hechler Torsten , Braun Alexandra , Gallo Francesca , Pahl Andreas , Perrin David M. 
Published: May 2021

AbstractAlpha‐amanitin, an extremely toxic bicyclic octapeptide extracted from the death‐cap mushroom,Amanita phalloides, is a highly selective allosteric inhibitor of RNA polymerase II. Following on growing interest in using this toxin as a payload in antibody‐drug conjugates, herein we report the synthesis and biochemical evaluation of several new derivatives of this toxin to probe the role of thetrans‐hydroxyproline (Hyp), which is known to be critical for toxicity. This structure activity relationship (SAR) study represents the first of its kind to use various Hyp‐analogs to alter the conformational and H‐bonding properties of Hyp in amanitin.
Decavanadate‐based Transition Metal Hybrids as Bifunctional Catalysts for Sulfide Oxidation and C—C Bond Construction
Authors: Huang Xianqiang , Gu Xiaoyu , Qi Yuquan , Zhang Yanru , Shen Guodong , Yang Bingchuan , Duan Wenzeng , Gong Shuwen , Xue Zechun , Chen Yifa 
Published: May 2021

Main observation and conclusionThe development of bifunctional catalysts has drawn much attention in realizing efficient and feasible catalytic systems to meet the diverse demand of potential industrial applications. Design of stable and powerful bifunctional catalysts for various catalysis systems is highly desirable yet largely unmet. Here, three kinds of decavanadate‐based transition metal hybrids (DTMH) (i.e., Co‐DTMH, Ni‐DTMH and Ag‐DTMH) have been successfully synthesized through a pH tuning strategy and further characterized. Specifically, the rare MO5N six‐coordinated transition metal coordination modes have been detected in Co‐DTMH and Ni‐DTMH, while Ag atoms in Ag‐DTMH exhibited three‐ and five‐coordinated geometries with the tuning of specially selected imidazole ligands. Thus‐obtained clusters can serve as powerful bifunctional catalysts for both sulfide oxidation and C—C bond construction. Remarkably, Ag‐DTMH demonstrated excellent heterogeneous bifunctional catalytic properties in the selective oxidation of sulfides and construction of C—C bond (yields up to 99%), which enable successful recycling for three cycles with remained catalytic activities and structure stability. The newly designed decavanadate‐based transition metal hybrids with bifunctional property hold high promise in the practical applications like continuous catalysis or flow bed reactions.
Optimizing VoIP server resources using linear programming model and autoscaling technique: An SDN approach
Authors: Montazerolghaem Ahmadreza 
Published: May 2021

SummaryNowadays, the Voice Over IP (VoIP) technology is an important component of the communications industry as well as a low‐cost alternative to Public Switched Telephone Networks. Communication in VoIP networks consists of two main phases, for example, signaling and media exchange. VoIP servers are responsible for signaling exchange using the Session Initiation Protocol (SIP) as the signaling protocol. The saturation of SIP server resources is one of the issues with the VoIP network, which causes problems such as overload or loss of energy. Resource saturation occurs mainly due to a lack of integrated server resource management. In the traditional VoIP networks, management and routing are distributed among all equipment, including servers. These servers are overloaded during peak times and face energy loss during idle times. Given the importance of this issue, this paper introduces a framework based on Software‐Defined Networking technology for SIP server resource management. The advantage of this framework is to have a global view of all the server resources. In this framework, the resource allocation optimization problem and resource autoscaling are presented to deal with the problems posed. The goal is to maximize total throughput and minimize energy consumption. In this regard, we seek to strike a balance between efficiency and energy. The proposed framework is implemented in the actual testbed. The results show that the proposed framework has succeeded in achieving these goals.
Recent Advances on Diels‐Alder‐Driven Preparation of Bio‐Based Aromatics
Authors: Ravasco Joao M. J. M. , Gomes Rafael F. A. 
Published: May 2021

AbstractThe preparation of high value‐added chemicals from renewable resources is a crucial approach towards a sustainable economy. One prominent alternative to the production of petroleum‐based chemicals from fossil resources is through the sequential Diels‐Alder/aromatization reactions of biomass‐derived furan platforms. This Concept is focused on the recent boom in bio‐based furan DA strategies for aromatization of bio‐based platform chemicals, particularly that of furfurals, ranging from indirect use and activation strategies to recent examples of direct DA reaction of these electron‐withdrawing biomass‐derived furans.
Indoor Organic Photovoltaics for Self‐Sustaining IoT Devices: Progress, Challenges and Practicalization
Authors: Jahandar Muhammad , Kim Soyeon , Lim Dong Chan 
Published: May 2021

AbstractIndoor photovoltaics (IPVs) have great potential to provide a self‐sustaining power source for Internet‐of‐Things (IoT) devices. The rapid growth in demand for low‐power IoT devices for indoor application not only boosts the development of high‐performance IPVs, but also promotes the electronics and semiconductor industry for the design and development of ultra‐low‐power IoT systems. In this Review, the recent progress in IPV technologies, design rules, market trends, and future prospects for highly efficient indoor photovoltaics are discussed. Special attention is given to the progress and development of organic photovoltaics (OPVs), which demonstrate great possibilities for IPVs, owing to their bandgap tunability, high absorbance coefficient, semitransparency, solution processability, and easy large‐area manufacturing on flexible substrates. Highly efficient indoor organic photovoltaics (IOPVs) can be realized through designing efficient donor and acceptor absorber materials that have good spectral responses in the visible region and better energy‐aligned interfacial layers, and through modulation of optical properties. Interfacial engineering, photovoltage losses, device stability, and large‐area organic photovoltaic modules are surveyed to understand the mechanisms of efficient power conversion and challenges for IOPVs under indoor conditions as a self‐sustaining power source for IoT devices. Finally, the prospects for further improve in IOPV device performance and practical aspects of integrating IOPVs in low‐power IoT devices are discussed.
A generalized diode containing bidirectional topology for multilevel inverter with reduced switches and power loss
Authors: Hosseini Montazer Babak , Olamaei Javad , Hosseinpour Majid , Mozafari Babak 
Published: May 2021

AbstractMultilevel inverters (MLIs) have made great strides in utilizing renewable energy and industrial applications compared to conventional two‐level inverters in terms of output voltage quality, smaller size of the output filter, and higher efficiency. This paper describes a new diode containing bidirectional topology for single‐phase MLI. This structure is presented to reduce the count of switches, isolated voltage sources, and drivers that can increase the number of output levels modularly. This converter, despite the use of diodes, can feed bidirectionally the low power factor inductive–resistive loads. The proposed structure has been designed to achieve a higher output voltage levels relative to the number of switches, drivers, and direct current (DC) voltage sources. Three different algorithms have been proposed to determine the values of DC voltage sources. To confirm the superiority of the proposed structure, a detailed comparison has been carried out with other MLI topologies. Then the proposed topology is simulated in Matlab/Simulink environment using the nearest level modulation technique. Finally, experimental results are presented to confirm the performance of the designed structure in symmetric and asymmetric topologies.
Optimal design of shock ignition target in order to stop generated hot electrons within the cold fuel
Authors: Pourhosseini Seddigheh , Ghasemizad Abbas , Rezaei Somayeh , Jafari Mohammad J. 
Published: May 2021

AbstractGeneration of hot electrons (HEs) within ignitor pulse interaction with pre‐compressed fuel is an important challenge in the shock ignition approach. Target optimization in order to prevent the destructive effects of HE is the main goal of the present work. In the first stage, the spectrum of electron energy generated during the interaction of ignitor pulse at different widths with the HiPER pre‐compressed target has been estimated by applying particle simulation tool. Then, by changing the thickness of the cold fuel in the range of 185–225 μm, the corresponding areal densities are calculated using 1D hydrodynamic simulations. Finally, in order to assess the energy fusion yield, the iso‐gain curves are obtained for different ignitor time windows as well as target thicknesses. Simulation results indicate that by decreasing the baseline, target thickness leads to a 17–70% increase in the fuel areal density. Subsequently, it has been demonstrated that by properly adjusting the parameters of ignitor pulse launch time and its width and employing a target with areal density high enough to stop the HEs, energy gain above 140 can be achieved. Optimal areas for shell thickness and ignitor time window are identified.
Malignant plasmacytes in bone marrow detected by flow cytometry as a predictor for the risk stratification system of multiple myeloma
Authors: Tian MengYue , Liu ZhaoYun , Han Mei , Liu Hui , Xiang Chenhuan , Mi Fu , Deng Ling , Meng Nanhao , Fu Rong 
Published: May 2021

AbstractBackgroundMultiple myeloma (MM) is a clonal disorder characterized by the proliferation of plasma cells and their accumulation within the bone marrow (BM). The flow cytometric analysis is an essential method for the hematological diseases because of high sensitivity.AimsThis study evaluates the indication role of malignant plasmacytes (PCs) in BM detected by flow cytometry for the risk stratification of MM.MethodsWhole BM samples from 92 newly diagnosed MM patients were included in the study. We collected 106cells each sample by flow cytometry. Then we analyzed the correlation between the malignant PCs in BM and the characteristics of patients.ResultsIn this study, patients were stratified according to different baseline characteristics and the median ratio of the malignant PCs were compared. The significant statistical differences (p < 0.05) were: Hb < 100 g/L versus ≥100 g/L; β2‐microglobulin <3.5 mg/dL versus 3.5–5.5 mg/dL versus >5.5 mg/dL; LDH > 250 U/L versus LDH 250 U/L; ISS I versus ISS II versus ISS III; R‐ISS I versus II versus III. The detailed data are showed in Table 2. The significant correlations were observed between the malignant PCs in BM and (Figure 1): plasma cell of biopsy, hemoglobin, β2‐microglobulin, lactate dehydrogenase (LDH), creatinine. “Double hit” or “triple hit” are defined as containing any two or three of the high risk cytogenetic abnormalities (t(4;14), t(14;16), t(14;20); del17q; TP53 mutation; 1q21 gain) by mSMAR. “Double or triple hit” had independently unfavorable significance for overall survival. As expected, the malignant PCs of “double or triple hit” group is significantly higher than the group B (one high risk genetic factor) and the group A (normal cytogenetic) (p < 0.0001 andp < 0.019).ConclusionMultiparametric flow cytometry is a highly sensitive method to identify and quantify malignant PCs. And the ratio of malignant PCs detected by MFC showed strongly correlation with the severity of the pathology of MM. Malignant PCs in BM detected by flow cytometry could be regarded as a predictor for the risk stratification system of MM. Thus, it should be considered applying in the routine evaluation of MM at diagnosis and after therapy.
Socio‐cognitive processing in people with eating disorders: Computerized tests of mentalizing, empathy and imitation skills
Authors: Corsi Elisa , Cardi Valentina , Sowden Sophie , Coll Michel‐Pierre , Cascino Giammarco , Ricca Valdo , Treasure Janet , Bird Geoffrey , Monteleone Alessio Maria 
Published: May 2021

AbstractObjectiveEating disorders are psychiatric illnesses characterized by extreme eating behaviors, such as sustained food restriction or loss of control over eating. Symptoms are thought to be maintained by a variety of mechanisms, one of which may be the socio‐cognitive impairments associated with eating disorders. While some previous work has addressed socio‐cognitive impairments in eating disorders, this work has relied mostly on self‐report data.MethodHere we employed computerized tests of (a) mentalizing (ability to infer the mental states of others); (b) empathy (the degree to which the emotional states of others can be identified and the degree to which the states of others impact one's own emotional state); and (c) imitation (the degree to which observation of another's actions prompts the performance of those actions); in a group of 78 women with an eating disorder and a matched control group of 66 healthy women.ResultsPeople with eating disorders showed both hyper‐ and hypo‐mentalizing and reduced accuracy of emotional and cognitive mental state inference. They displayed less imitation of observed actions, but no differences in empathy compared to healthy controls. Although anxiety and depressive symptoms had significant effects on mentalizing, most of the observed inter‐group differences persisted.DiscussionWomen with eating disorders have difficulties mentalizing and imitating observed actions despite intact non‐social automatic imitation, compared to healthy controls. These findings provide an indication that intervention modules to strengthen specific areas of social cognition might be helpful to improve patients' social skills.
Prognosis and outcome determinants after heart failure diagnosis in patients who underwent aortic valvular intervention
Authors: Kontogeorgos Silvana , Thunström Erik , Pivodic Aldina , Dahlström Ulf , Fu Michael 
Published: May 2021

AbstractAimsTo study clinical phenotype, prognosis for all‐cause and cardiovascular (CV) mortality and predictive factors in patients with incident heart failure (HF) after aortic valvular intervention (AVI) for aortic stenosis (AS).Methods and resultsIn this retrospective, observational study we included patients from the Swedish Heart Failure Registry (SwedeHF) recorded 2003–2016, with AS diagnosis and AVI before HF diagnosis. The AS diagnosis was established according to International Classification of Diseases 10th revision (ICD‐10) codes, thus without information concerning clinical or echocardiographical data on the aortic valve disease. The patients were divided into two subgroups: left ventricular ejection fraction (LVEF) ≥ 50% (AS‐HFpEF) and <50% (AS‐HFrEF). We individually matched three controls with HF from the SwedeHF without AS (control group) for each patient. Baseline characteristics, co‐morbidities, survival status and outcomes were obtained by linking the SwedeHF with two other Swedish registries. We used Kaplan–Meier curves to present time to all‐cause mortality, cumulative incidence function for time to CV mortality and Cox proportional hazards model to evaluate the relative difference between AS‐HFrEF and AS‐HFpEF and AS‐HF and controls. The crude all‐cause mortality was 49.0%, CV mortality 27.9% in AS‐HF patients, respectively 44.7% and 26.6% in matched controls. The adjusted risk for all‐cause mortality and CV mortality was similar in HF, regardless of LVEF vs. controls. No significant difference in factors predicting higher all‐cause mortality was observed in AS‐HFrEF vs. AS‐HFpEF, except for diabetes (only in AS‐HFrEF), with statistically significant interaction predicting death between the two groups.ConclusionsIn this nationwide SwedeHF study, we characterized incident HF population after AVI. We found no significant differences in all‐cause and CV mortality compared with general HF population. They had virtually the same predictors for mortality, regardless of LVEF.
Molecularly Imprinted Electrochemical Sensor for the Detection of Organophosphorus Pesticide Profenofos
Authors: Radi Abd‐Elgawad , Oreba Reham , Elshafey Reda 
Published: May 2021

AbstractThe presence of profenofos (PFF) in food has been strictly limited by legislation due to its genotoxic and toxic effects on health. It is therefore very important to establish simple and rapid analytical methods to detect traces of this insecticide. A reusable molecularly imprinted polypyrrole MIP(O‐PPy) on a glassy carbon electrode (GCE) has been developed to measure PFF. The PPy was polymerized by cyclic voltammetry (CV) in the presence of template molecules (PFF) in an acidic solution on a GCE. The various experimental parameters such as film thickness, analyte/monomer ratio, and removal/rebinding requirements were examined and optimized. The signal of the redox probe (ferrocyanide/ferrocyanide) was used for the electrochemical detections. All steps of the sensor manufacturing, removal/rebinding of template molecules, and response to different PFF concentrations were tested by cyclic voltammetry (CV), differential pulse voltammetry (DPV), and electrochemical impedance spectroscopy (EIS). The MIP sensor was able to detect PFF in the linear ranges of 1.0×10−9 to 1.0×10−6 M and 1.0×10−9 to 5.0×10−6 M, with detection limits, a signal‐to‐noise ratio (S/N) of three was used to estimate LOD, of about 1 nM using DPV and EIS, respectively. The MIP (PPy) GCE provided excellent PFF recognition performance and was successfully used to quantify PFF in sweet pepper samples, yielding recoveries not greater than 108 %.