bluuebunny/crossref_metadata_2025 huggingface dataset:
CsPbBr3 perovskite quantum dot decorated ZIF-8 MOF: a selective dual recognition fluorometric visual probe for 4-nitroaniline and rhodamine blue
Authors: Ahmed Shahnaz , Mohanta Dambarudhar , Baruah kankana , Dolui Swapan Kumar
Published: November 2023

Stable and fluorescent ZIF-8 confined CsPbBr3 perovskite were synthesized to act as a dual functional luminescent probe for the sensing of 4-nitroaniline and rhodamine blue dye. The paper sensor shows visual recognition ability of the analytes.
Iron-optimized oxygen vacancy concentration to strengthen the electrocatalytic ability of the urea oxidation reaction
Authors: Zhang Yingzhen , Zhang Wei , Lei Yonggang , Huang Jianying , Lin Zhiqun , Lai Yuekun
Published: November 2023

The moss-like Fe–Ni(OH)2@NiSe2 catalyst shows good catalytic ability for nucleophiles (e.g., ammonia, methanol and urea). Notably, the electrocatalytic activity for the urea oxidation reaction is the best, and it shows good electrochemical stability.
Phenylalanine-based fibrillar systems
Authors: Kuila Soumen , Dey Sukantha , Singh Pijush , Shrivastava Akash , Nanda Jayanta
Published: November 2023

In this feature article, we discuss the formation of long-range, ordered, amyloid-like fibrils from native phenylalanine molecules in aqueous and organic media and the inhibition of toxic fibrils by using various potent therapeutic agents.
Post-cationic modification of a porphyrin-based conjugated microporous polymer for enhanced removal performance of bisphenol A
Authors: Zhou Shiyuan , Luo Xiaobo , Zhang Yan , Liu Yuxi , Wang Xin , Hao Xiaoqiong , Zhang Ye , Wang Danfeng , Gu Peiyang , Liu Guangfeng
Published: November 2023

A conjugated microporous polymer photocatalyst with super hydrophilicity was synthesized for efficiently removing bisphenol A and its derivatives under visible light irradiation.
Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation
Authors: Gebbia Jonathan F. , Aristizabal Andrés Henao , Negrier Philippe , Aguilà David , Tamarit Josep Lluis , Pardo Luis Carlos
Published: November 2023

Molecular dynamics simulations of PCNB reveals a homogeneous two-processes dynamics: fast reorientational attempts and a (meta) stable rattling motion. The results agree with those of dielectric spectroscopy and synchrotron diffraction experiments.
The photophysical properties of sulfone-based TADF emitters in relation to their structural properties
Authors: Hepguler Aslıhan , Ulukan Pelin , Catak Saron
Published: November 2023

In this work, thermally activated delayed fluorescence (TADF) properties of a series of emitters with sulfone-based acceptor moieties was studied by density functional theory (DFT) methods.
The curvature effect on the distribution behavior of nonpolar atoms in nano-confined space
Authors: Li Mingqian , Wang Dan , Wang Lifeng
Published: November 2023

The chemical and physical properties of nonpolar atoms are obviously affected by confinement.
Virus-mimicking nanosystems: from design to biomedical applications
Authors: Liu Hao-Yang , Li Xiao , Wang Zhi-Gang , Liu Shu-Lin
Published: November 2023

This review highlights the design principles and strategies of virus-mimicking nanosystems as well as their current status and challenges in biomedical applications.
Simultaneous determination of Cd, Pb, Cu and Zn as total and labile fractions in soil using a small-sized electrothermal vaporization capacitively coupled plasma microtorch optical emission spectrometer after diffusive gradients in thin-film passive accumulation
Authors: Angyus Simion Bogdan , Senila Marin , Covaci Eniko , Ponta Michaela , Frentiu Maria , Frentiu Tiberiu
Published: November 2023

A sensitive and free interference method for the determination of total and labile fractions of Cd, Pb, Cu and Zn in soil after DGT passive accumulation and detection by optical emission spectrometry with an Ar microplasma was validated.
A colorimetric aptasensor based on NH2-MIL-88B for highly selective detection of trace oxytetracycline in water
Authors: Lu Yuhao , Wang Tao , Tang Chengshun , Niu Qijian , You Tianyan
Published: November 2023

A schematic illustration of the preparation process of NH2-MIL-88B@Apt and the colorimetric detection process of OTC.
Design and photovoltaic studies of W@TiO2/rGO nanocomposites with polymer gel electrolyte
Authors: Pawar Prakash S. , Koyale Pramod A. , Ghodake Vijay S. , Mulik Swapnajit V. , Kapdi Yash G. , Soni Saurabh S. , Mullani Navaj B. , Delekar Sagar D.
Published: November 2023

Designing the tungsten(vi) ion-doped TiO2/rGO nanocomposites (TR NCs) via a single-step in situ wet chemical route for Co2+/Co3+-based PEO–PEG polymer gel electrolyte-assisted D–π–A carbazole dye (SK3) sensitized solar cells (DSSCs).
A new entry towards diastereomeric C1,C2,C3-functionalized [3]ferrocenophanes using a solid state mediated double 1,4-Michael addition type ring closing approach
Authors: Halder Biplob , Barik Tulasi , Chatterjee Saurav
Published: November 2023

First known diastereomeric tri-functionalized carba[3]ferrocenophanes with two stereogenic centres using a double Michael addition approach and their sensing capabilities.
Structural insights into the diverse prenylating capabilities of DMATS prenyltransferases
Authors: Miller Evan T. , Tsodikov Oleg V. , Garneau-Tsodikova Sylvie
Published: November 2023

This review unpacks the accumulated knowledge of the structural bases of the unique properties and capabilities of DMATS-type prenyltransferases (PTs) that make them promising biocatalysts.
Tunable covalent benzo-heterocyclic rings constructed using two-dimensional conjugated polymers for visible-light-driven water splitting
Authors: Wang Cong , Zhao Ying-Nan , Lang Zhong-Ling , Li Yang-Guang , Su Zhong-Min , Tan Hua-Qiao
Published: November 2023

Eight 2D conjugated polymers (CPs) were designed and constructed by covalently linking diacetylene and benzene-derived molecular linkers with a periodic strategy, among which CP-4 is identified as the best photocatalyst toward OWS.
Crystalline restacking of 2D-materials from their nanosheets suspensions
Authors: Cherni Lina , El Rifaii Karin , Wensink Henricus H. , Chevrier Sarah M. , Goldmann Claire , Michot Laurent J. , Davidson Patrick , Gabriel Jean-Christophe P.
Published: November 2023

We report a highly ordered restacking of the 2D phosphatoantimonic materials H3(1−x)M3xSb3P2O14, (where M = Li, Na, K, Rb, Cs and 0 ≤ x ≤ 1), from their nanosheets dispersed in colloidal suspension, induced by a simple pH change using alkaline bases.
A three-component reaction of cyclobutanone oxime esters, sulfur dioxide and N-alkyl-N-methacryloyl benzamides
Authors: Ye Shengqing , Zhuang Chen , Lv Jiajing , Zhang Chao , Chen Qi , Wu Zhiyuan , Wu Jie , Xia Hongguang
Published: November 2023

A three-component reaction of cyclobutanone oxime esters, DABCO·(SO2)2 and N-alkyl-N-methacryloyl benzamides was developed for the generation of sulfonyl-containing isoquinoline-1,3-(2H,4H)-diones.
An efficient biosensor using a functionalized microneedle of Cu2O-based CoCu-LDH for glucose detection
Authors: Zhu Jialei , Wang Fuqin , Chen Jiaying , Liu Chang
Published: November 2023

Cauliflower-type Cu2O NPs cluster was directly modified on the tip surface of the ANE by electrochemical deposition, and then this pre-formed cuprous basis was used to further prepare the neatly arranged CoCu-LDH nanosheets.
Results from the operation of an efficient and flexible large-scale biogas methanation system
Authors: Moioli Emanuele , Senn Patrick , Østrup Simon , Hütter Christoph
Published: November 2023

This study reports a comprehensive analysis of the operation of a biogas methanation system with a total 240 kW SNG output.
The UMIST Database for Astrochemistry 2022
Authors: Millar T. J. , Walsh C. , Van de Sande M. , Markwick A. J.
Published: November 2023

Context. Detailed astrochemical models are a key component to interpret the observations of interstellar and circumstellar molecules since they allow important physical properties of the gas and its evolutionary history to be deduced.

Aims. We update one of the most widely used astrochemical databases to reflect advances in experimental and theoretical estimates of rate coefficients and to respond to the large increase in the number of molecules detected in space since our last release in 2013.

Methods. We present the sixth release of the UMIST Database for Astrochemistry (UDfA), a major expansion of the gas-phase chemistry that describes the synthesis of interstellar and circumstellar molecules. Since our last release, we have undertaken a major review of the literature which has increased the number of reactions by over 40% to a total of 8767 and increased the number of species by over 55% to 737. We have made a particular attempt to include many of the new species detected in space over the past decade, including those from the QUIJOTE and GOTHAM surveys, as well as providing references to the original data sources.

Results. We use the database to investigate the gas-phase chemistries appropriate to both O-rich and C-rich conditions in TMC-1 and to the circumstellar envelope of the C-rich AGB star IRC+10216 and identify successes and failures of gas-phase only models.

Conclusions. This update is a significant improvement to the UDfA database. For both the dark cloud and C-rich circumstellar envelope models, calculations match around 60% of the abundances of observed species to within an order of magnitude. There are a number of detected species, however, that are not included in the model either because their gas-phase chemistry is unknown or because they are likely formed via surface reactions on icy grains. Future laboratory and theoretical work is needed to include such species in reaction networks.
MUSE observations of the giant low surface brightness galaxy Malin 1: Numerous HII regions, star formation rate, metallicity, and dust attenuation
Authors: Junais  , Weilbacher P. M. , Epinat B. , Boissier S. , Galaz G. , Johnston E. J. , Puzia T. H. , Amram P. , Małek K.
Published: November 2023

Context. Giant low surface brightness (GLSB) galaxies are an extreme class of objects with very faint and extended gas-rich disks. Malin 1 is the largest GLSB galaxy known to date and one of the largest individual spiral galaxies observed so far, but the properties and formation mechanisms of its giant disk are still poorly understood.

Aims. We used VLT/MUSE IFU spectroscopic observations of Malin 1 to measure the star formation rate (SFR), dust attenuation, and gas metallicity within this intriguing galaxy.

Methods. We performed a penalized pixel fitting modeling to extract emission line fluxes such as Hα, Hβ, [N II]6583 and [O III]5007 along the central region as well as from the extended disk of Malin 1.

Results. Our observations reveal for the first time strong Hα emission distributed across numerous regions throughout the extended disk of Malin 1. The emission extends to radial distances of ∼100 kpc, which indicates recent star formation activity. We made an estimate of the dust attenuation in the disk of Malin 1 using the Balmer decrement and found that Malin 1 has a mean Hα attenuation of 0.36 mag. We observe a steep decline in the radial distribution of the SFR surface density (ΣSFR) within the inner 20 kpc, followed by a shallow decline in the extended disk. We estimated the gas phase metallicity in Malin 1. We also found for the first time that the metallicity shows a steep gradient from solar metallicity to subsolar values in the inner 20 kpc of the galaxy, followed by a flattening of the metallicity in the extended disk with a relatively high value of ∼0.6 Z⊙. We found that the normalized abundance gradient of the inner disk of Malin 1 is similar to the values found in normal galaxies. However, the normalized gradient observed in the outer disk can be considered extreme when compared to other disk galaxies. A comparison of the SFR surface density and gas surface density shows that unlike normal disk galaxies or other low surface brightness galaxies, the outer disk of Malin 1 exhibits a relatively low star formation efficiency based on atomic gas-mass estimates, which may be mildly exacerbated by the vanishing upper molecular gas-mass limits found by recent CO studies.

Conclusions. With the detection of emission lines in a large part of the extended disk of Malin 1, this work sheds light on the star formation processes in this unique galaxy, highlighting its extended star-forming disk, dust attenuation, almost flat metallicity distribution in the outer disk, and exceptionally low star formation efficiency. Together with previous results, our findings contribute to a more detailed understanding of the formation of the giant disk of Malin 1, and they also constrain possible proposed scenarios of the nature of GLSB galaxies in general.
Study of the optical to X-ray broad emission lines of Mrk 110
Authors: Juráňová A. , Costantini E. , Di Gesu L. , Ebrero J. , Kaastra J. , Korista K. , Kriss G. A. , Mehdipour M. , Piconcelli E. , Rogantini D.
Published: November 2023

Aims. In order to shed light on the characteristics of the broad line region (BLR) in a narrow-line Seyfert 1 galaxy, we present an analysis of X-ray, UV, and optical spectroscopic observations of the broad emission lines in Mrk 110.

Methods. For the broad-band modelling of the emission-line luminosity, we adopt the “locally optimally emitting cloud” approach, which allows us to place constraints on the gas radial and density distribution. By exploring additional environmental effects, we investigate the possible scenarios resulting in the observed spectra.

Results. We find that the photoionised gas in Mrk 110 responsible for the UV emission can fully account for the observed low-ionisation X-ray lines. The overall ionisation of the gas is lower, and one radial power-law distribution with a high integrated covering fraction Cf ≈ 0.5 provides an acceptable description of the emission lines spanning from X-rays to the optical band. The BLR is likely more compact than the broad-line Seyfert 1s studied so far, extending from ∼1016 to ∼1018 cm, and limited by the dust sublimation radius at the outer edge. Despite the large colour excess predicted by the Balmer ratio, the best fit suggests E(B − V)≈0.03 for both the ionising luminosity and the BLR, indicating that extinction might be uniform over a range of viewing angles. While the adopted data-modelling technique does not allow us to place constraints on the geometry of the BLR, we show that the addition of models with a clumpy, equatorial, wind-like structure may lead to a better description of the observed spectra.
Lanthanum phosphate as catalyst in the reaction of 5-HMF formation
Authors: Ulfindrayani Ika F. , Zulys Agustino , Kurniawan Fredy , A’yuni Qurrota , Pardi Hilfi , Murwani Irmina K.
Published: November 2023

Lanthanum phosphate (LP) has been synthesized by sol-gel method at room temperature. The synthesized catalyst was characterized by X-ray diffraction (XRD), Fourier Transform Infrared (FTIR), pyridine adsorption FTIR, N2 adsorption-desorption and SEM-EDX. The XRD results show that LP has a hexagonal structure. The FTIR spectra of LP showed O=P-O bending vibrations, P-O vibrations (from phosphate tetrahedral distortion), P-O symmetrical strain vibrations and PO43- bending vibrations, each of which was characterized by the appearance of a peak at 613, 530-620, 950 and 538-621 cm-1. The presence of the OH functional group was indicated by a peak at 3450-3700 cm-1, which was strengthened by the H-O-H bending vibration that appeared at 1629 cm-1. The surface area, pore volume and pore diameter of LP are 51.04 m2/g, 0.21 cm3/g and 13.31 nm, respectively. SEM image showed that agglomerated solids with irregular shapes were obtained from the synthesis. Catalytic testing indicates that the acidity of the catalyst has main role in the formation of 5-HMF.
Conditions of Megabenthos on Coral Reef Ecosystem in Seribu Islands National Park, Jakarta, Indonesia
Authors: Kurniawan Dedy , Putra Risandi Dwirama , Siringoringo Rikoh Manogar , Sari Ni Wayan Purnama , Abrar Muhammad , Jumsurizal Jumsurizal , Febrianto Try , Hasnarika Hasnarika
Published: November 2023

Seribu Islands National Park is located off the north coast of Jakarta and consists of 110 islands. This study aims to determine the distribution and density of megabenthos in coral reef ecosystems in the Seribu Islands National Park. This research was conducted in November 2021 in the Seribu Islands National Park waters. Megabenthos observations were carried out using the Benthos Belt Transect method, a development of the Belt Transect Method for monitoring megabenthos combined with the Reef Check Benthos method. Based on observations in the waters of the Seribu Islands National Park, five types of megabenthos were found, including clams (Tridacnasp.), lola (Trochussp.), Crown-of-torns starfish (Acanthaster planci), drupella (Drupellasp.), and sea urchins (Diademasp.). The highest density of megabenthos was found on Kayuangin Genteng Island, with a density of 8,786 ind/ha, while the lowest was on Peteloran Barat Island, with 429 ind/ha. Based on the type of megabenthos at all observation stations, the most abundant megabenthos found wasDiademasp., with a density of 43,397 ind/ha. In comparison, the least wasAcanthaster planciof 214 ind/ha. Megabenthos in the Seribu Islands National Park waters are in various conditions.
Investigation of III-V GaP solar cell on silicon substrate
Authors: Boyer-Richard Soline , Fan Fei , Beck Alexandre , Levallois Christophe , Tavernier Karine , Rohel Tony , Bernard Rozenn , Létoublon Antoine , Cornet Charles , Durand Olivier
Published: November 2023

The best solar conversion efficiencies have been reached thanks to multijunction solar based on III-V semiconductors on GaAs or Ge substrates. While displaying high conversion efficiencies, these solar cells suffer from the high cost of such substrates. To benefit from both the low cost and technological maturity of silicon cells, III-V tandem cells on silicon seem a good compromise to overpass the theoretical efficiency limit of the Si single cells. To study the GaP/Si interface effect on the solar cell characteristic, a GaP n-i-p solar cell has been grown on silicon substrate. Two types of electrical contacts configurations have been processed: a top-top configuration in which the current does not see the GaP/Si interface and the top-bottom configuration where the electric current crosses the interface. A comparison of dark I-V, I-V under solar illumination, and EQE measurements on both configurations is performed. The top-bottom contacts configuration shows an EQE a little bit lower than the top-top contact one, likely due to lower carrier diffusion length or recombination at the lower interface. However, the result on the EQE of the top-bottom configuration is encouraging for the future development of the GaP-based/Si tandem solar cells, and any other tandem cell on silicon using GaP as an intermediate selective contact.
Thermal model in digital twin of vertical PV system helps to explain unexpected yield gains
Authors: Carr Anna J. , Liu Ji , Binani Ashish , Cesar Kay , Van Aken Bas B.
Published: November 2023

The business case of novel integrated applications of solar energy is often regarded as a straightforward extrapolation of standard solar parks. But when the design of the solar park is remarkably different from typical solar parks, the operating conditions of the PV panels could also be changed. We have applied the digital twin to an R&D location with nine rows of eight bifacial PV panels in a vertical east/west orientation with varying row-row distances. We simulated the in-plane irradiances, based on measured GHI, which turned out to be in good agreement with observations of in-plane irradiances. But, using default free-standing PV heat transfer coefficients, the modelled module temperatures were too high and the simulated module powers too low. Applying an in-house developed method, we found that the heat transfer coefficient Uc is nearly double, and the vertically placed modules operate at a much lower temperature. The adjusted value for Uc leads to a 2.5% higher annual energy yield and higher performance ratio, partially offsetting the energy loss due to the less than optimal configuration. In conclusion, the digital twin increased the understanding of the vertical PV system and support future decision making, for instance for the application of vertical PV in combination with agriculture, where the low ground coverage ratio of vertical PV matches well with the needs from the agricultural sector.
Double Aneuploidy of Down Syndrome (Trisomy 21) and Jacobs Syndrome (Trisomy XYY) with Complete Tracheal Rings Deformity: Case Report and Literature Review
Authors: Adeleke Omoloro , Elmufti Hussein , Zhang Jie , Jagadesan Bhuvaneshwari , Harsono Mimily
Published: November 2023

Down syndrome (DS, trisomy 21) with an extra copy of chromosome 21 is one of the most common aneuploidies in humans. Jacobs syndrome or XYY syndrome (trisomy XYY) with an extra copy of sex chromosome Y is a rare sex chromosome trisomy in males. Double aneuploidy (DA) with an extra copy of chromosome 21 and sex chromosome Y is an extremely rare occurrence. Most trisomy 21 results from nondisjunction during maternal oocyte meiosis-I, whereas trisomy XYY is results from nondisjunction during paternal spermatocyte meiosis-I. We present a case of natural conception premature newborn of 30.4 weeks gestational age who had a DS facial phenotype with extensive syndactyly on both hands and feet. Other multisystem congenital anomalies were discovered, including mal-aligned perimembranous ventricular septal defect, bicuspid aortic valve, Dandy–Walker malformation's tetra-ventriculomegaly, and a rare complete tracheal rings deformity (CTRD) with trachea stenosis. Prenatal amniocentesis and postnatal chromosomal karyotyping analysis detected 48, XYY, + 21 nontranslocation trisomy 21, and free-lying Y chromosome without translocation. The existence of DA is rarely reported in literature reviews. In this review, we will discuss the characteristics of DS and Jacobs syndrome as well as the associated multiorgan malformation including the rare lethal CTRD.
Mobile social media as a vehicle of health communication: a multimodal discourse analysis of WeChat official account posts during the COVID-19 crisis
Authors: Wu Ying Qi , Gong Jiankun
Published: November 2023

The utilization of mobile communication can significantly enhance the availability and accessibility of public health information. To this end, various mobile social media platforms are recognized as multimodal discourses that can serve as powerful instruments in disseminating health-related information to a wider audience, thereby allowing for greater reach and improved health outcomes. This study retrospectively examined Malaysia’s third wave of COVID-19 to decipher the visual representation of this epidemiological crisis on mobile social media. A qualitative research approach was utilized, underpinned by the visual framing concept of Coleman (2010) and the visual actor-network of van Leeuwen (2008), to analyze 280 images from a popular and Chinese WeChat official account called Weimalaysia. The analysis revealed that visuals on this WeChat official account highlight specific contents and features of COVID-19 in Malaysia during the third wave. However, no visual misinformation regarding intolerance elements was identified. The initial findings of this study demonstrate the importance of visuals as a crucial resource in public health communication. Additionally, the results underscore the significance of WeChat official accounts as a novel mobile social media platform for conveying health-related information during the public health crisis.
A small global village: the effects of collectivist, tight and Confucian cultures on the spread of COVID-19
Authors: Liu Ming , Wu Haomin , Lin Bingxuan , Zhang Jingxia
Published: November 2023

While previous studies have emphasised several important factors associated with the spread of COVID-19 and strategies to reduce transmission, few studies have focused on the social and cultural factors that may influence its spread. This study analyses the spread of COVID-19 from a cross-country/region cultural perspective and finds that countries and regions with a collectivistic, Confucian or tight (restrictive) culture experience a lower spread rate of COVID-19. The results are robust to controlling for several factors, including population, age structure, gross domestic product (GDP) per capita, previous SARS occurrence, smoking prevalence, and religion. A one standard deviation increase in the collectivism score is associated with a 1.38% reduction of the weekly growth rate of COVID-19 cases. More importantly, the effect of culture on the spread of COVID-19 becomes stronger during national or regional lockdowns. Corroborating these main results, supporting analyses find a significant effect of culture on national and regional COVID-19 death rates. These findings suggest that to manage the ongoing surges in COVID-19 outbreaks, governments should implement public health policies that emphasise the ideas of common interest, personal responsibility and strong cultural norms, and sense of community, as this pandemic has revealed that people all live together in a small global village.

Why did Korea, Japan & Taiwan have so few deaths? I see face-covering and the Confucian idea of common good as key. –Michael Levitt, the Nobel Prize Laureate (2020)
Analysis of a two-layer energy balance model: Long time behavior and greenhouse effect
Authors: Cannarsa P. , Lucarini V. , Martinez P. , Urbani C. , Vancostenoble J.
Published: November 2023

We study a two-layer energy balance model that allows for vertical exchanges between a surface layer and the atmosphere. The evolution equations of the surface temperature and the atmospheric temperature are coupled by the emission of infrared radiation by one level, that emission being partly captured by the other layer, and the effect of all non-radiative vertical exchanges of energy. Therefore, an essential parameter is the absorptivity of the atmosphere, denoted εa. The value of εa depends critically on greenhouse gases: increasing concentrations of CO2 and CH4 lead to a more opaque atmosphere with higher values of ϵa. First, we prove that global existence of solutions of the system holds if and only if εa∈(0,2) and blow up in finite time occurs if εa>2. (Note that the physical range of values for εa is (0,1].) Next, we explain the long time dynamics for εa∈(0,2), and we prove that all solutions converge to some equilibrium point. Finally, motivated by the physical context, we study the dependence of the equilibrium points with respect to the involved parameters, and we prove, in particular, that the surface temperature increases monotonically with respect to εa. This is the key mathematical manifestation of the greenhouse effect.
Hearing shapes viap-adic Laplacians
Authors: Bradley Patrick Erik , Ledezma Ángel Morán
Published: November 2023

For a finite graph, a spectral curve is constructed as the zero set of a two-variate polynomial with integer coefficients coming from p-adic diffusion on the graph. It is shown that certain spectral curves can distinguish non-isomorphic pairs of isospectral graphs, and can even reconstruct the graph. This allows the graph reconstruction from the spectrum of the associated p-adic Laplacian operator. As an application to p-adic geometry, it is shown that the reduction graph of a Mumford curve and the product reduction graph of a p-adic analytic torus can be recovered from the spectrum of such operators.
Queue-aware computation offloading for UAV-assisted edge computing in wind farm routine inspection
Authors: Han Yinghua , Xu Qinqin , Zhao Qiang , Si Fangyuan
Published: November 2023

Integration of unmanned aerial vehicles (UAVs) and edge computing into the wind farm routine inspection provides a promising approach to enhancing inspection effectiveness and decreasing operation maintenance costs. In light of the finite battery power and computational capacity of UAVs, a dynamic queue-aware UAV-assisted edge computing inspection wind farm framework is investigated with the goal of minimizing the long-term energy consumption of UAVs. The Lyapunov optimization theory is utilized to decouple the long-term stochastic optimization problem into four short-term deterministic subproblems, including the task splitting, the UAV-side computing resource allocation, the task offloading, and the edge server-side computing resource allocation. Furthermore, a Lyapunov optimization-based dynamic queue-aware computation offloading algorithm (LODQCO) is presented to optimize task offloading and resource allocation jointly. The optimal UAV-side computing resource is determined by a closed form formula, and then the optimal task offloading decision is tackled by applying the classical interior point method. Finally, the edge server-side computing resource is addressed via a linear optimization CPLEX solver. Based on simulation results, LODQCO is superior to the benchmark algorithms with respect to the energy consumption, queue backlogs, and queuing delays.
A tutorial on the Bayesian statistical approach to inverse problems
Authors: Waqar Faaiq G. , Patel Swati , Simon Cory M.
Published: November 2023

Inverse problems are ubiquitous in science and engineering. Two categories of inverse problems concerning a physical system are (1) estimate parameters in a model of the system from observed input–output pairs and (2) given a model of the system, reconstruct the input to it that caused some observed output. Applied inverse problems are challenging because a solution may (i) not exist, (ii) not be unique, or (iii) be sensitive to measurement noise contaminating the data. Bayesian statistical inversion (BSI) is an approach to tackle ill-posed and/or ill-conditioned inverse problems. Advantageously, BSI provides a “solution” that (i) quantifies uncertainty by assigning a probability to each possible value of the unknown parameter/input and (ii) incorporates prior information and beliefs about the parameter/input. Herein, we provide a tutorial of BSI for inverse problems by way of illustrative examples dealing with heat transfer from ambient air to a cold lime fruit. First, we use BSI to infer a parameter in a dynamic model of the lime temperature from measurements of the lime temperature over time. Second, we use BSI to reconstruct the initial condition of the lime from a measurement of its temperature later in time. We demonstrate the incorporation of prior information, visualize the posterior distributions of the parameter/initial condition, and show posterior samples of lime temperature trajectories from the model. Our Tutorial aims to reach a wide range of scientists and engineers.
A computational modeling on two-dimensional laminar flow and thermal characteristics through a strongly bent square channel
Authors: Adhikari Sreedham Chandra , Hasan Mohammad Sanjeed , Rouf Rifat Ara , Lorenzini Giulio , Mondal Rabindra Nath
Published: November 2023

In order to have a precise knowledge on how pressure gradients and buoyancy force affect fluid flow and energy distribution in a bending channel, it is important to perform a comprehensive study on flow characteristics and heat transfer mechanisms that trigger out the transition of fluids into a turbulent state, subject to a sustained pressure gradient. The present paper explores a computational modeling on two-dimensional fluid flow and thermal characteristics in a bent square channel of strong curvature. The Newton–Raphson (N-R) iteration method is applied to obtain a bifurcation structure depending on the pressure-driven force, the Dean number (De), covering 0 < De ≤ 5000. As a consequence, four branches of asymmetric steady solutions are identified for each of the cases of the Grashof number, Gn (=1000, 1500, and 2000), where only the first branch is found to exhibit asymmetric two-vortex solutions while the remaining branches encompass two- to four-vortex solutions. The similarity and disparity in the branching structure are also demonstrated. Then, adopting the Adam–Bashforth (A-B) method together with Crank–Nicholson (C-N) formula, the unsteady solutions (US) have been explored, validated by power spectrum density (PSD) and phase space Within the realm of US, two- and three-vortex solutions are found and these solutions exhibit transitions from steady to chaotic behavior profoundly. Effects of the Grashof number with convective heat transfer (CHT) are also compared. By analyzing the Nusselt number (Nu), it is observed that in case of highly chaotic flow, CHT experiences substantial enhancement. This intensified CHT arises from increased turbulence and mixing, facilitating more efficient thermal energy exchange under such chaotic flow conditions.
Gaussian approximation potentials: Theory, software implementation and application examples
Authors: Klawohn Sascha , Darby James P. , Kermode James R. , Csányi Gábor , Caro Miguel A. , Bartók Albert P.
Published: November 2023

Gaussian Approximation Potentials (GAPs) are a class of Machine Learned Interatomic Potentials routinely used to model materials and molecular systems on the atomic scale. The software implementation provides the means for both fitting models using ab initio data and using the resulting potentials in atomic simulations. Details of the GAP theory, algorithms and software are presented, together with detailed usage examples to help new and existing users. We review some recent developments to the GAP framework, including Message Passing Interface parallelisation of the fitting code enabling its use on thousands of central processing unit cores and compression of descriptors to eliminate the poor scaling with the number of different chemical elements.
Application of the van der Pauw method for electrical conductivity measurements at high temperatures using an insulating compressing ring
Authors: Bowen Michael S. , Cann David P. , Woodside C. Rigel
Published: November 2023

High quality data on the high temperature electrical properties of ceramics, particularly oxides, is of great value for material selection, design, and modeling for a broad range of emerging applications. Utilizing the mismatch in the coefficient of thermal expansion between two materials, a purely mechanical method for establishing electrical contact in the van der Pauw geometry to measure the bulk resistivity of ceramic disks at high temperatures is presented. Measurements of a reference material, 20 mol. % Gd-doped cerium oxide, are presented up to 1000 °C. The viability of electrical measurements up to a maximum temperature of 1600 °C is also considered. Measurements are performed using multiple techniques and compared to literature values finding excellent agreement. The approach described in this work enables the van der Pauw method to be applied to many ceramic materials over a wide range of temperatures and environments.
Molecular dynamics study of the mechanical properties of drug loaded model systems: A comparison of a polymersome with a bilayer
Authors: Grillo Damián A. , Albano Juan M. R. , Valladares T. Rufino E. , Mocskos Esteban E. , Facelli Julio C. , Pickholz Mónica , Ferraro Marta B.
Published: November 2023

In this work we implement a new methodology to study structural and mechanical properties of systems having spherical and planar symmetries throughout Molecular Dynamics simulations. This methodology is applied here to a drug delivery system based in polymersomes, as an example. The chosen model drug was the local anesthetic prilocaine due to previous parameterization within the used coarse grain scheme. In our approach, mass density profiles (MDPs) are used to obtain key structural parameters of the systems, and pressure profiles are used to estimate the curvature elastic parameters. The calculation of pressure profiles and radial MPDs required the development of specific methods, which were implemented in an in-house built version of the GROMACS 2018 code. The methodology presented in this work is applied to characterize poly(ethylene oxide)-poly(butadiene) polymersomes and bilayers loaded with the model drug prilocaine. Our results show that structural properties of the polymersome membrane could be obtained from bilayer simulations, with significantly lower computational cost compared to whole polymersome simulations, but the bilayer simulations are insufficient to get insights on their mechanical aspects, since the elastic parameters are canceled out for the complete bilayer (as consequence of the symmetry). The simulations of entire polymersomes, although more complex, offer a complementary approach to get insights on the mechanical behavior of the systems.
A perspective on stretchable ionic thermoelectric supercapacitors for wearable applications: Present and challenges
Authors: Park Tae Hyun
Published: November 2023

The conversion of sustainable heat sources from the human body into electricity is a promising strategy for self-powered temperature monitoring and power supplies in wearable electronics. Recently, ionic thermoelectrics (i-TEs) have gained considerable attention because of their Seebeck coefficients (mV K−1), which are orders of magnitude larger than those of conventional electronic TEs (e-TEs). In particular, i-TE supercapacitors (ITESCs) based on thermodiffusion under a temperature gradient in redox-free electrolytes exhibit Seebeck coefficients larger than 10 mV K−1. This characteristic solves the requirement for numerous pairs of p/n type TE legs to achieve sufficient output voltage, thereby substantially minimizing device complexity. Therefore, the development of stretchable and wearable ITESCs capable of harvesting human-generated thermal energy is beneficial for future wearable platforms. From this perspective, recent studies have been summarized on stretchable i-TE electrolytes, which hold considerable potential for use in wearable ITESCs and sensors. Furthermore, the challenges of recent ITESCs have been presented, and the perspectives for the development of fully stretchable ITESCs have been provided for future wearable applications.
Direct observation of exceptional points in photonic crystal by cross-polarization imaging in momentum space
Authors: Nguyen Viet Anh , Le Viet Hoang , Sarelli Eirini , Malgrey Loïc , Luu Dang-Khue , Chu Ha Linh , Vu Truong Tuan , Tong Cong Quang , Vu Dinh Lam , Seassal Christian , Le-Van Quynh , Nguyen Hai Son
Published: November 2023

This study explores exceptional points (EPs) in photonic crystals (PhCs) and introduces an experimental technique for their single-shot observation. Exceptional points are spectral singularities found in non-Hermitian systems, such as leaky PhC slabs. However, directly observing EPs in PhC systems using regular reflectivity spectroscopy is a considerable challenge due to interference between guided resonances and background signals. In this work, we present a simple, nondestructive technique that employs crossed polarizations to directly observe EPs in momentum-resolved resonant scattering. This approach effectively suppresses the background signal, enabling exclusive probing of the guided resonances where EPs manifest. Our results demonstrate the formation of EPs in both energy-momentum mapping and isofrequency imaging. All experimental findings align seamlessly with numerical simulations and analytical models. Our approach holds great potential as a robust tool for studying non-Hermitian physics in the PhC platform.
Tuning of exchange bias by regulating the microstructural parameters in Ni81Fe19 (5, 8, 11, 14, 17, and 20 nm)/Ir7Mn93(10 nm) bilayers probed using magnetoresistance
Authors: Kedia Sanjay Kumar , Sharma Nikita , Pandey Lalit , Chaudhary Sujeet
Published: November 2023

The investigation and tunning of positive exchange bias (PEB) and negative exchange bias (NEB) are reported at room temperature (RT) and low temperature (20 K), respectively, in a series of top-pinned Ni81Fe19(tFM = 5, 8, 11, 14, 17, and 20 nm)/Ir7Mn93(10 nm) polycrystalline heterostructure thin films grown in the presence of a 1 kOe in situ magnetic field by systematically controlling the microstructural parameters such as thickness, roughness, and crystallite/grain size. On decreasing the thickness (roughness) of NiFe from 20 nm (0.49 nm) to 5 nm (0.28 nm), an enhancement in PEB and NEB is observed from +12 to +22 Oe and −300 to −556 Oe at RT and 20 K, respectively. It is observed that both exchange bias and coercivity substantially depend on the atomic scale roughness of the interface width (NiFe/IrMn). The representative plane-view of transmission electron microscopy (TEM) measurements revealed the enhanced antiferromagnet (AF) grain size on decreasing the thickness of ferromagnetic, whereas cross-sectional TEM studies exhibited the sharp interfaces in the bilayer samples after magnetic annealing. A unique correlation between the training mechanism and the degree of asymmetry is established. Further, the training measurement data are fitted with various theoretical models that support the fact that not only interfacial but also bulk AF spins play a vital role in the exchange bias. Thus, the present study reveals the microstructural insights by varying the thickness of NiFe to address the unresolved issues of the EB by directly correlating it with interface roughness and the crystallite/grain size of AF in it, probed using the magnetoresistance technique.
Transcriptome analysis showed the metabolic pathway of differentially expressed genes (DEGs) in resistant and susceptible soybean (Glycine max) to sclerotinia stem rot (SSR) and candidate gene mining
Authors: Sun Dongming , Li Ruiqiong , Ma Jinglin , Qu Shuo , Yuan Ming , Yang Zhenhong , Zhou Changjun , Xu Junrong , Zhan Yuhang , Zhao Xue , Han Yingpeng , Teng Weili
Published: November 2023

Context Sclerotinia stem rot (SSR) is one of the diseases that seriously affect soybean yield, leading to heavy losses all over the world. A well-known SSR resistant variety is ‘Maple Arrow’. Aims In this study, transcriptome sequencing analysis of resistant variety ‘Maple Arrow’ and susceptible variety ‘Hefeng25’ was conducted to understand the resistance mechanism of resistant and susceptible soybean varieties to SSR and to look for candidate genes. Methods RNA sequencing of Maple Arrow and Hefeng25 generated 75.09 GB and 64.97 GB clean readings, respectively. In total, 417 differentially expressed genes (DEGs) were found among the different comparable groups. Gene ontology enrichment, Kyoto Encyclopedia of Genes and Genomes analysis and haplotype analysis were performed for genes with different expression levels in Maple Arrow and Hefeng25. Key results It was found that DEGs from Maple Arrow and Hefeng25 were involved in the regulation of ‘oxidation–reduction process’, ‘regulation of transcription’, ‘amino acid metabolism’, ‘methylation’ and ‘membrane’, ‘integral component of membrane’ and ‘epidermal growth-factor receptor substrate 15’. In total, 31 haplotypes of 12 genes were screened out with significant or extremely significant differences among soybeans with different levels of SSR resistance. Conclusions These genes may be involved in the relevant pathways of soybean sclerotiniose. Implications To provide excellent gene resources for further disease-resistance breeding.
Reimagining infrastructure for a biodiverse future
Authors: van Rees Charles B. , Hernández-Abrams Darixa D. , Shudtz Matthew , Lammers Roderick , Byers James , Bledsoe Brian P. , Bilskie Matthew V. , Calabria Jon , Chambers Matthew , Dolatowski Emily , Ferreira Susana , Naslund Laura , Nelson Donald R. , Nibbelink Nathan , Suedel Burton , Tritinger Amanda , Woodson C. Brock , McKay S. Kyle , Wenger Seth J.
Published: November 2023

Civil infrastructure will be essential to face the interlinked existential threats of climate change and rising resource demands while ensuring a livable Anthropocene for all. However, conventional infrastructure planning largely neglects the contributions and maintenance of Earth’s ecological life support systems, which provide irreplaceable services supporting human well-being. The stability and performance of these services depend on biodiversity, but conventional infrastructure practices, narrowly focused on controlling natural capital, have inadvertently degraded biodiversity while perpetuating social inequities. Here, we envision a new infrastructure paradigm wherein biodiversity and ecosystem services are a central objective of civil engineering. In particular, we reimagine infrastructure practice such that 1) ecosystem integrity and species conservation are explicit objectives from the outset of project planning; 2) infrastructure practices integrate biodiversity into diverse project portfolios along a spectrum from conventional to nature-based solutions and natural habitats; 3) ecosystem functions reinforce and enhance the performance and lifespan of infrastructure assets; and 4) civil engineering promotes environmental justice by counteracting legacies of social inequity in infrastructure development and nature conservation. This vision calls for a fundamental rethinking of the standards, practices, and mission of infrastructure development agencies and a broadening of scope for conservation science. We critically examine the legal and professional precedents for this paradigm shift, as well as the moral and economic imperatives for manifesting equitable infrastructure planning that mainstreams biodiversity and nature’s benefits to people. Finally, we set an applied research agenda for supporting this vision and highlight financial, professional, and policy pathways for achieving it.
Elevational homogenization of mountain parasitoids across six decades
Authors: Di Marco Moreno , Santini Luca , Corcos Daria , Tschorsnig Hans-Peter , Cerretti Pierfilippo
Published: November 2023

Elevational gradients are characterized by strong environmental changes within small geographical distances, providing important insights on the response of biological communities to climate change. Mountain biodiversity is particularly sensitive to climate change, given the limited capacity to colonize new areas and the competition from upshifting lowland species. Knowledge on the impact of climate change on mountain insect communities is patchy, but elevation is known to influence parasitic interactions which control insect communities and functions within ecosystems. We analyzed a European dataset of bristle flies, a parasitoid group which regulates insect herbivory in both managed and natural ecosystems. Our dataset spans six decades and multiple elevational bands, and we found marked elevational homogenization in the host specialization of bristle fly species through time. The proportion of specialized parasitoids has increased by ca. 70% at low elevations, from 17 to 29%, and has decreased by ca. 20% at high elevations, from 48 to 37%. As a result, the strong elevational gradient in bristle fly specialization observed in the 1960s has become much flatter over time. As climate warming is predicted to accelerate, the disappearance of specialized parasitoids from high elevations might become even faster. This parasitoid homogenization can reshape the ecological function of mountain insect communities, increasing the risk of herbivory outbreak at high elevations. Our results add to the mounting evidence that symbiotic species might be especially at risk from climate change: Monitoring the effects of these changes is urgently needed to define effective conservation strategies for mountain biodiversity.