bluuebunny/crossref_metadata_2025_split huggingface dataset:
Steady states of active Brownian particles interacting with boundaries
Authors: Wagner Caleb G , Hagan Michael F , Baskaran Aparna 
Published: January 2022

Abstract
An active Brownian particle is a minimal model for a self-propelled colloid in a dissipative environment. Experiments and simulations show that, in the presence of boundaries and obstacles, active Brownian particle systems approach nontrivial nonequilibrium steady states with intriguing phenomenology, such as accumulation at boundaries, ratchet effects, and long-range depletion interactions. Nevertheless, theoretical analysis of these phenomena has proven difficult. Here, we address this theoretical challenge in the context of non-interacting particles in two dimensions, basing our analysis on the steady-state Smoluchowski equation for the one-particle distribution function. Our primary result is an approximation strategy that connects asymptotic solutions of the Smoluchowski equation to boundary conditions. We test this approximation against the exact analytic solution in a 2D planar geometry, as well as numerical solutions in circular and elliptic geometries. We find good agreement so long as the boundary conditions do not vary too rapidly with respect to the persistence length of particle trajectories. Our results are relevant for characterizing long-range flows and depletion interactions in such systems. In particular, our framework shows how such behaviors are connected to the breaking of detailed balance at the boundaries.
First investigation of coherent terahertz radiation at a Super Tau Charm Factory
Authors: Gao W.W. , Lan J.Q. , Zhao F.Y. , Luo Q. 
Published: January 2022

Abstract
The coherent THz radiation with long-short beam operation
mode is discussed at a Super Tau Charm Factory. The beam dynamics,
RF parameters and some important issues are given. Two version of
short bunch length are designed. Results show that the 2.0 mm short
bunch length correspond to the frequency where the radiation power
decreased sharply. The short bunch length should minimized to
smaller than 1.5 mm at this facility to achieve proper coherent
radiation power at THz frequency region.
Present and future land surface and wet bulb temperatures in the Arabian Peninsula
Authors: Safieddine S , Clerbaux C , Clarisse L , Whitburn S , Eltahir E A B 
Published: January 2022

Abstract
The Arabian Peninsula exhibits extreme hot summers and has one of the world’s largest population growths. We use satellite observations and reanalysis as well as climate model projections to analyze morning and evening land surface temperatures (LSTs), to refer to processes at the surface, and wet bulb temperatures (WBTs) to measure human heat stress. We focus on three regions: the Persian Gulf and Gulf of Oman, the inland capital of Saudi Arabia, Riyadh and the irrigated agricultural region in Al-Jouf, Saudi Arabia. This study shows that the time of day is important when studying LST and WBT, with current and future WBT higher in the early summer evenings. It also shows that the effect of humidity brought from waterbodies or through irrigation can significantly increase heat stress. Over the coasts of the Peninsula, humidity decreases LST but increases heat stress via WBT values higher than 25 °C in the evening. Riyadh, located in the heart of the Peninsula has lower WBT of 15 °C–17.5 °C and LST reaching 42.5 °C. Irrigation in the Al-Jouf province decreases LST by up to 10° with respect to its surroundings, while it increases WBT by up to 2.5°. Climate projections over the Arabian Peninsula suggest that global efforts will determine the survivability in this region. The projected increase in LST and WBT are +6 °C and +4 °C, respectively, in the Persian Gulf and Riyadh by the end of the century, posing significant risks on human survivability in the Peninsula unless strict climate mitigation takes place.
Dynamic transitions of the magnetized spherical Couette flow between its base state and the return flow instability
Authors: Ogbonna J , Garcia F , Gundrum T , Seilmayer M , Stefani F 
Published: January 2022

Abstract
The transition between the stable base state of the magnetized spherical Couette (MSC) flow and the return flow instability is experimentally investigated. The experiments are conducted using an MSC setup consisting of insulating spheres with the ratio of the inner to the outer radii r
i/r
o = 0.5, Reynolds number Re = 1000 and Hartmann number Ha ∈ [25, 29]. The transition is characterized by changes in the power spectra of the azimuthal modes in the flow as Ha is dynamically changed. The transition occurs in the interval Ha ∈ [26.5, 27.5]. The evolution of the power spectra of the azimuthal modes exhibits hysteretic effect depending on whether Ha is increased or decreased within the experimental interval. The power spectra in the azimuthal modes m ∈ {3, 4} increases and remains dominant as Ha is increased, while the power spectra in m ∈ {2, 4} are dominant while the flow is time dependent due to return flow instability as Ha is decreased.
Effects of growth time on the material properties of CdTe/CdSe core/shell nanoparticles prepared by a facile wet chemical route
Authors: Kiprotich Sharon , Dejene F B , Onani Martin O 
Published: January 2022

AbstractThis study presents a facile synthetic approach used to prepare CdTe/CdSe core/shell nanoparticles (NPs). The effects of reaction time on the material properties of the CdTe/CdSe NPs are reported. It was realized that the reaction time has significant impact on the CdSe shell growth on the CdTe core. Various techniques were used to characterize the as-prepared CdTe/CdSe NPs. The x-ray diffraction (XRD) was used to study the crystal structure and the possible growth of the CdSe shell on the CdTe core. The results obtained indicated the formation of zinc blende crystal structure which was transformed from a polycrystalline to single crystalline structure. The XRD pattern displayed features that are intermediate between the CdTe and CdSe, a sign of shell formation and not two separate compounds formed. This was also supported by high resolution transmission electron microscope images obtained. The crystallite sizes estimated using Scherrer formula were all less than 3 nm showing that the NPs are in quantum confinement regime. Scanning electron microscope was used to determine the surface topography while the energy x-ray dispersive spectrometer displayed the elemental composition of the as-prepared NPs. SEM and HRTEM images showed uniformly distributed spherical NPs with some agglomerations observed at longer duration of synthesis. The optical properties (photoluminescence (PL) and absorbance) investigated at different reaction times (20, 40, 60 and 80 min) presented novel features which show the formation of a thin CdSe shell on the CdTe core NPs. The PL emission wavelength was dramatically red shifted upon the growth of the CdSe shell on the CdTe core (from 541–615 nm). Other unique features of the as-grown CdTe/CdSe NPs are discussed in detail. The obtained results displayed good material properties of the CdTe/CdSe NPs suitable for use in biomaging applications.
Microstructure and tribological property of a MXene derived from Ti3AlC2
Authors: Liu Fuyan , Liu Fujie , Zhang Rui , Chen Xinhong 
Published: January 2022

Abstract
Ti3C2 layers with a layered two-dimensional structure are synthesized by immersing a precursor Ti3AlC2 with hydrofluoric acid solution. The microstructure of Ti3C2 layers is analyzed by SEM, XRD, Raman and AFM. Additionally, the tribological behavior of Ti3C2 layers is investigated at various loads and sliding speeds by sliding against Si3N4 balls on a UMT-2 tribometer. In comparison, the tribological behavior of Ti3AlC2 at various loads is tested under identical condition. The results indicate that the Ti3C2 layers have been successfully prepared and their thickness mainly distributes in the range of 2.3–3.1 nm. Moreover, the Ti3C2 layers exhibit better tribological behavior than its precursor -Ti3AlC2 in dry sliding. It is expected that the Ti3C2 layers will be applied as a solid lubricant additive for other materials.
Novel fabrication of marizomib-loaded chitosan-coated hydroxyapatite nanocarriers as a promising system for effective treatment of ovarian cancer
Authors: Xu Jia , Liao Meimei , Chen Yi , Chen Lingfeng 
Published: January 2022

Abstract
Cancer therapy might benefit significantly from nanotechnology. These nano-drug delivery systems (NDDS) have been established to improve the therapeutic benefits of anticancer medications by enhancing their bioavailability, degradation, and biocompatibility. One of the most promising NDDS for cancer therapy is high-performance hydroxyapatite (HA) nanoparticles, which have many advantages. The metabolite marizomib inhibits tumor cell growth and progression, functioning as a biochemical inhibitor in many malignancies. However, this substance’s low bioavailability is the most significant problem with its use. In this work, a pH-sensitive biopolymer was employed to encapsulate HA nanoparticles with chitosan to increase marizomib’s (MARI) efficacy and bioavailability. The sol-gel process was used to fabricate HA nanoparticles for this purpose. It was then coated with chitosan before encasing the marizomib drug in the nanocarrier, which was done under controlled circumstances. The newly fabricated nanoparticles effectively kill ovarian A2780 cancer cells and induce apoptosis. The morphological examination of the cancer cells was examined by AO/EB and DAPI staining methods. Further, the cell uptake was measured by the flow cytometry methods, and the result shows the nanoparticles were effectively uptake the cancer cells under different incubation times. In principle, nanoparticles have great potential for future pre-clinical applications in treating ovarian cancer cells and suppressing other types of tumors.
Effects of boron addition on the microstructure and creep properties of a Ni-Fe-based superalloy weld metal alloy
Authors: Xie Wencai , Wu Dong , Lu Shanping 
Published: January 2022

Abstract
The role of boron in the creep properties and grain boundary characteristics in a new Ni-Fe-based weld metal suitable for advanced ultra-supercritical (A-USC) coal-fired power plant applications has been investigated. Ni-Fe-based filler wires without boron and boron-doped (50 ppm wt% boron) were prepared for this study. Boron-doped weld metals exhibited longer rupture lives and lower steady creep rates during the creep rupture tests at 750 °C / 380 MPa and 750 °C / 210 MPa. This study explains the improvement mechanism of boron on creep resistance from the perspective of the effect of boron on M23C6. Boron increased the nucleation rate of M23C6 and participated in the formation of M23(C, B)6 type boron-carbides. After creep deformation, boron still existed stably in the M23(C, B)6. The higher density of discrete M23C6 particles due to boron addition could restrain grain boundary crack propagation and grain boundary sliding, and thereby improve the creep fracture resistance of the GH984G weld metal at 750 °C / (380/ 210 MPa).
Electromagnetic vortex topologies from sparse circular phased arrays
Authors: Wang H , Szekerczes K , Afanasev A 
Published: January 2022

Abstract
Structured vortex waves have numerous applications in optics, plasmonics, radio-wave technologies and acoustics. We present a theoretical study of a method for generating vortex states based on coherent superposition of waves from discrete elements of planar phased arrays, given limitations on an element number. Using Jacobi-Anger expansion, we analyze emerging vortex topologies and derive a constraint for the least number of elements needed to generate a vortex with a given leading-order topological charge.
Beyond structural analysis of molecular enzyme-inhibitor interactions
Authors: Welborn V Vaissier 
Published: January 2022

Abstract
Fast and effective drug discovery processes rely on rational drug design to circumvent the tedious and expensive trial and error approach. However, accurate predictions of new remedies, which are often enzyme inhibitors, require a clear understanding of the nature and function of the key players governing the interaction between the drug candidate and its target. Here, we propose to calculate electric fields to explicitly link structure to function in molecular dynamics simulations, a method that can easily be integrated within the rational drug discovery workflow. By projecting the electric fields onto specific bonds, we can identify the system components that are at the origin of stabilizing intermolecular interactions (covalent and non-covalent) in the active site. This helps to significantly narrow the exploration space when predicting new inhibitors. To illustrate this method, we characterize the binding of the non-covalent inhibitor X77 to the main protease of SARS-CoV-2, a particularly time-sensitive drug discovery problem. With electric field calculations, we were able to identify three key residues (Asn-142, Met-165 and Glu-166), that have functional consequences on X77. This contrasts with the nearly 20 residues reported in previous studies as being in close contact with inhibitors in the active site of the protease. As a result, the search for new non-covalent inhibitors can now be accelerated by techniques that look to optimize the interaction between candidate molecules and these residues.
Two-dimensional materials for artificial synapses: toward a practical application
Authors: Wang I-Ting , Chang Chih-Cheng , Chen Yen-Yu , Su Yi-Shin , Hou Tuo-Hung 
Published: January 2022

Abstract
Combining the emerging two-dimensional materials (2DMs) and neuromorphic computing, 2DM-based synaptic devices (2DM synapse) are highly anticipated research topics with the promise of revolutionizing the present Si-based computing paradigm. Although the development is still in the early stage, the number of 2DM synapses reported has increased exponentially in the past few years. Nevertheless, most of them mainly focus on device-level synaptic emulations, and a practical perspective toward system-level applications is still lacking. In this review article, we discuss several important types of 2DM synapses for neuromorphic computing. Based on the cross-layer device-circuit-algorithm co-optimization strategy, non-ideal properties in 2DM synapses are considered for accelerating deep neural networks, and their impacts on system-level accuracy, power and area are discussed. Finally, a development guide of 2DM synapses is provided toward accurate online training and inference in the future.
Does racism equal prejudice plus power?
Authors: Scott Jordan 
Published: January 2022

Abstract
An increasingly common view is that ‘racism’ can be defined as prejudice plus power. However, this view is ambiguous between two interpretations. The first proposes a descriptive definition, claiming that a prejudice plus power account of ‘racism’ best accounts for our ordinary usage of the term. The second proposes a revisionary definition, claiming that we should adopt a new account of ‘racism’ because doing so will bring pragmatic benefit. In this paper, I argue that the prejudice plus power view is unsatisfying on either interpretation.
In Situ Otoacoustic Emission Monitoring to Assess the Effects of Noise Exposure on Hearing Health
Authors: Nadon Vincent , Voix Jérémie 
Published: January 2022

Abstract
Noise-induced hearing loss (NIHL) is the largest cause of action for indemnity in North American industries despite the widespread implementation of hearing conservation programs. Possible causes behind the onset of NIHL are the intervals between hearing tests which are generally too long and the tests are insufficiently sensitive to detect temporary hearing changes to act and prevent permanent hearing damage. Moreover, current noise regulations might be too lenient as to the permissible maximum noise levels. Short-interval hearing assessment could help to observe temporary changes in hearing health and prevent permanent damage. This study investigates the short-term effects of noise exposure characteristics using repeated measurements of otoacoustic emission (OAE) growth functions and presents the most significant predictors of hearing health changes as observed in sixteen individuals equipped with OAE earpieces. The experimental results of this study show that the impulsiveness and frequency spectrum of the noise level could be a possible cause of the decline in OAE levels. As a consequence, hearing conservation programs should consider taking these noise metrics into account for proper NIHL risk assessment. Such noise exposure and hearing health monitoring could greatly improve hearing conservation practices in the workplace by acting faster and eventually mitigate occupational hearing loss.
cropCSM: designing safe and potent herbicides with graph-based signatures
Authors: Pires Douglas E V , Stubbs Keith A , Mylne Joshua S , Ascher David B 
Published: January 2022

AbstractHerbicides have revolutionised weed management, increased crop yields and improved profitability allowing for an increase in worldwide food security. Their widespread use, however, has also led to a rise in resistance and concerns about their environmental impact. Despite the need for potent and safe herbicidal molecules, no herbicide with a new mode of action has reached the market in 30 years. Although development of computational approaches has proven invaluable to guide rational drug discovery pipelines, leading to higher hit rates and lower attrition due to poor toxicity, little has been done in contrast for herbicide design. To fill this gap, we have developed cropCSM, a computational platform to help identify new, potent, nontoxic and environmentally safe herbicides. By using a knowledge-based approach, we identified physicochemical properties and substructures enriched in safe herbicides. By representing the small molecules as a graph, we leveraged these insights to guide the development of predictive models trained and tested on the largest collected data set of molecules with experimentally characterised herbicidal profiles to date (over 4500 compounds). In addition, we developed six new environmental and human toxicity predictors, spanning five different species to assist in molecule prioritisation. cropCSM was able to correctly identify 97% of herbicides currently available commercially, while predicting toxicity profiles with accuracies of up to 92%. We believe cropCSM will be an essential tool for the enrichment of screening libraries and to guide the development of potent and safe herbicides. We have made the method freely available through a user-friendly webserver at http://biosig.unimelb.edu.au/crop_csm.
‘Trap Life’: The psychosocial underpinnings of street crime in inner-city London
Authors: Reid Ebony 
Published: January 2022

Abstract
This article explores urban men’s involvement in the drug economy, examining the conditions in which they become ‘trapped’ in difficult lifeworlds and identities. Through an ethnographic exploration of what disadvantaged urban men term ‘trap life’, this article demonstrates how different ‘trapper’ identities, enacted to manage economic, social and psychological vulnerability, allows an understanding of the varied motivations to take part in criminality and violence. Whilst the terms ‘dangerous’, ‘pathological’ and ‘criminal’ are deployed to account for street lifestyles, such stereotypical imagery with roots in history, media, political discourse and policing practices, downplays the humanity of men living on the margins of society and neglects their version of reality. Far from being exclusively violent perpetrators, urban men are especially vulnerable as they are trapped in a never-ending existential crisis, which prevents successful transitions into mainstream life. I demonstrate that the issue of violence and the 21st century drug business must be placed in broader psychosocial contexts to provide a better understanding and perhaps one-day inform therapeutic and other practice interventions specifically tailored for those seeking to exit ‘trap life’.
Chagas Disease Prevalence in a Cohort of Neurocysticercosis Patients in a Nonendemic Setting
Authors: McAleese Katherine R , Guzmán Janitzio J , Thumm Lauren , Nutman Thomas B , Showler Adrienne , O’Connell Elise M 
Published: January 2022

Abstract
In a cohort of mostly Central American immigrants with confirmed neurocysticercosis (NCC), 3.1% were confirmed positive for Chagas disease (CD). The majority were diagnosed with NCC before age 50. Entry to care for NCC is an opportunity for early detection and possible treatment for CD in those from endemic areas.
Balance of Power Redux: Nuclear Alliances and the Logic of Extended Deterrence
Authors: Gheorghe Eliza 
Published: January 2022

Abstract
How do unbalanced nuclear alliances provide extended nuclear deterrence (END) to their members? Why have nuclear alliances chosen certain types of END strategy and not others? Existing accounts regard END as a function of the inter-alliance balance of power, regime type, or institutional design. END strategies inspired by theories focused on regime type and institutional design have not yet materialised, while the inter-alliance balance of power does not suffice to explain the choice of END strategy. To elucidate variations in END strategy, this article puts forward an argument centred on the intra-alliance balance of power. Drawing on the history of the US-led and the Soviet-led alliances during the Cold War, namely North Atlantic Treaty Organization and the Warsaw Pact, it shows how the two superpowers changed their approach to defending their allies with nuclear weapons according to quantitative and qualitative shifts in the distribution of power within the alliance.