bluuebunny/crossref_metadata_2025 huggingface dataset:
Specific detection of Pyricularia oryzae pathotype Triticum using qPCR and LAMP methods
Authors: Ikeda Ken-ichi , Uchihashi Kaichi , Okuda Itsuki , Xiang Zikai , Nakayashiki Hitoshi
Published: December 2023

Wheat blast is an important disease that affects cross-border food security. The causal pathogen, Pyricularia oryzae (syn. Magnaporthe oryzae) Triticum pathotype (MoT), forms a phylogenetic group distinct from the other P. oryzae pathotypes pathogenic on various gramineous plants. Here we developed MoT-specific primer sets for qPCR and LAMP detection methods, and their amplification specificity and efficiency were tested in comparison with previous reported MoT-specific primers. The amplification efficiency and specificity were affected by the polymerase premix. To evaluate the detection specificity, purified DNA samples of 15 MoT isolates, 89 non-MoT isolates of Pyricularia spp., and crude DNA from wheat plants inoculated with MoT were used. We conclude that the Sp3 primer sets for qPCR and the MoT3L primer sets for LAMP were the best in this research.
Social inequalities in the use of physiotherapy in women diagnosed with breast cancer in Barcelona: DAMA cohort
Authors: Cogollos-de-la-Peña Rocio , Álvarez-Vargas Anaís , Domínguez-Navarro Fernando , Espelt Albert , Fuentes-Aparicio Laura , Puigpinós‑Riera Rosa
Published: December 2023

Purpose

This study aimed to analyze social inequalities in the use and access of physiotherapy service and its clinical and socio-economic determinants in women diagnosed with breast cancer in the hospital network of Barcelona.

Methods

Data from 2235 women belonging to the mixed (prospective and retrospective) DAMA Cohort were analyzed, including demographic, socio-economic, clinical, and breast cancer treatment outcomes. To determine the influence of such variables on access to physiotherapy, different Poisson regression models with robust variance (obtaining Prevalence Ratios and confidence intervals) were estimated.

Results

Although when experiencing different chronic and acute symptoms, only between 20 and 35% of women visited physiotherapist. Two out of 3 women reported to have received insufficient information about medical care and rehabilitation. Age of women, job occupation, education level, having a mutual or private insurance, as well as outcomes related to breast cancer, appear to be factors influencing the access to physiotherapy.

Conclusions

Social and economic inequalities exist on the access to physiotherapy by women diagnosed with breast cancer, which is generally low, and may clearly impact on their functional recovery. Promoting strategies to reduce social bias, as well as improve communication and patient information regarding physiotherapy may be of interest for a better health care in breast cancer diagnosed women.
Value creation in post-pandemic retailing: a conceptual framework and implications
Authors: Imschloss Monika , Schwemmle Martin
Published: December 2023

In the wake of the Covid-19 pandemic, the retail landscape has undergone profound and enduring changes, necessitating a comprehensive examination of its implications for both consumers and retailers. This study provides a systematic analysis of emergent shifts in consumer behavior and the resulting changes in consumer value creation. The authors develop a conceptual framework encompassing five key dimensions that likely will reshape value creation in post-pandemic retailing: hyperfunctional shopping, holistic health, hybrid connectedness, conscious hedonism, and responsible consumption. The authors propose that consumers will prefer retailers that accomplish creating value based on these dimensions through next-level customer experiences rooted in inspiration and social interaction, novel technologies, and innovations in store concepts, services, or retail operations. Critical to successfully delivering next-level customer experiences in this new retail landscape is retailers’ engagement in collaborations—both within the industry and with external partners. Accounting for these developments, this study offers implications for retailing practice and provides a roadmap for future retailing research in five key areas pertaining to the management of responsible, health-related, and digital customer experiences, the management of collaborations for creating next-level customer experiences, and the effective monetization of the evolving dimensions of value creation.
The Diagnostic Value of Whole-Exome Sequencing in a Spectrum of Rare Neurological Disorders Associated with Cerebellar Atrophy
Authors: Ashaat Engy A. , Ahmed Hoda A. , Elaraby Nesma M. , Fayez Alaaeldin , Metwally Ammal M. , Mekkawy Mona K. , Hussen Dalia Farouk , Ashaat Neveen A. , Elhossini Rasha M. , ElAwady Heba Ahmed , Abdelgawad Randa H. A. , Gammal Mona El , Al Kersh Mohamed Ahmed , Saleh Dina Amin
Published: December 2023

Several neurological disorders, neurodevelopmental disorders, and neurodegenerative disorders have a genetic element with various clinical presentations ranging from mild to severe presentation. Neurological disorders are rare multifactorial disorders characterized by dysfunction and degeneration of synapses, neurons, and glial cells which are essential for movement, coordination, muscle strength, sensation, and cognition. The cerebellum might be involved at any time, either during development and maturation or later in life. Herein, we describe a spectrum of NDDs and NDs in seven patients from six Egyptian families. The core clinical and radiological features of our patients included dysmorphic features, neurodevelopmental delay or regression, gait abnormalities, skeletal deformities, visual impairment, seizures, and cerebellar atrophy. Previously unreported clinical phenotypic findings were recorded. Whole-exome sequencing (WES) was performed followed by an in silico analysis of the detected genetic variants’ effect on the protein structure. Three novel variants were identified in three genes MFSD8, AGTPBP1, and APTX, and other previously reported three variants have been detected in “TPP1, AGTPBP1, and PCDHGC4” genes. In this cohort, we described the detailed unique phenotypic characteristics given the identified genetic profile in patients with neurological “neurodevelopmental disorders and neurodegenerative disorders” disorders associated with cerebellar atrophy, hence expanding the mutational spectrum of such disorders.
Barbour's Bruce
Authors: Barbour John
Published: December 2023

Barbour's Bruce  underpins contemporary understanding of Robert Bruce and his achievements, and sets up paradigms of medieval Scottish heroism and chivalry.
Lawyer Roles in Knowledge Work
Authors: Gottschalk Petter , Hamerton Christopher
Published: December 2023

This book provides the first thorough examination of the concept of lawyer roles in knowledge work, offering a detailed comparative exploration and analysis of the globalized legal services industry in terms of individual and corporate professional function. Knowledge management has long been identified by scholars within the business sphere as a key strategic device in the development of complex organizations and developing markets. However, this essential process has been largely ignored within socio-legal studies and professional practice applications as a specific subject for close scrutiny. Lawyer Roles in Knowledge Work seeks to address this anomaly, with Gottschalk and Hamerton recognizing the strong lineage and correlation that exists between the study of knowledge management and contemporary legal practice. Using an interdisciplinary focus which includes illustrative case-studies, the book explores European, North American, and global perspectives as well as models to identify, position, and reveal the forward-looking lawyer as defender, enabler, and investigator. In doing so it revaluates current strategic legal practice and organisational behaviour within the context of changing patterns of business, the workplace, social rules, systems of governance, decision making, social ordering and control.
Social Change in Medieval Iran 132-628 AH (750-1231 AD)
Authors: Kamali Maryam
Published: December 2023

This study contributes to the history of social changes in Iran during the Abbasid Caliphate (AH 132-656, AD 750-1258) by foregrounding the perspective of Persian language historians - from Abu Ali Bal'ami (AH 363, AD 974), the first known Persian historian, to Atamelak Joveyni (AH 623-681, AD 1226-1283), the great historian of the Mongol Era. By applying the insights of Anthony Giddens and the theory of structuration to address the interactions of social agents and structures, this book provides a coherent narrative of social transformation in medieval Iran.
Rotating Alfvén waves in rotating plasmas
Authors: Rax J.-M. , Gueroult R. , Fisch N.J.
Published: December 2023

Angular momentum coupling between a rotating magnetized plasma and torsional Alfvén waves carrying orbital angular momentum (OAM) is examined. It is demonstrated not only that rotation is the source of Fresnel–Faraday rotation – or orbital Faraday rotation effects – for OAM-carrying Alfvén waves, but also that angular momentum from an OAM-carrying Alfvén wave can be transferred to a rotating plasma through the inverse process. For the direct process, the transverse structure angular rotation frequency is derived by considering the dispersion relation for modes with opposite OAM content. For the inverse process, the torque exerted on the plasma is derived as a function of wave and plasma parameters.
New Estimates of Magnitude‐Frequency Distribution and b‐Value Using Relative Magnitudes for the 2011 Prague, Oklahoma Earthquake Sequence
Authors: Gable S. L. , Huang Y.
Published: December 2023

The magnitude‐frequency distribution (MFD) describes the relative proportion of earthquake magnitudes and provides vital information for seismic hazard assessment. The b‐value, derived from the MFD, is commonly used to estimate the probability that a future earthquake will exceed a specified magnitude threshold. Improved MFD and b‐value estimates are of great importance in the central and eastern United States where high volumes of fluid injection have contributed to a significant rise in seismicity over the last decade. In this study, we recalculate the magnitudes of 8,775 events for the 2011 Prague, Oklahoma sequence using a relative magnitude approach that depends only on waveform data to calculate magnitudes. We also compare the distribution of successive magnitude differences to the MFD and show that a combination of the magnitude difference distribution (MDFD) and relative magnitudes yields a reliable estimate of b‐value. Using the MDFD and relative magnitudes, we examine the temporal and spatial variations in the b‐value and show that b‐value ranges between ∼0.6 and 0.85 during the aftershock sequence for at least 5 months after the M 5.7 mainshock, though areas surrounding the northeast part of the sequence experience higher b‐values (0.7–0.85) than the southwestern part of the Meeker‐Prague fault where b‐value is the lowest (0.6–0.7). We also identify a cluster of off‐fault events with the highest b‐values in the catalog (0.85). These new estimates of MFD and b‐value will contribute to understanding of the relations between induced and tectonic earthquake sequences and promote discussion regarding the use of b‐value in induced seismic hazard estimation.
Greedy routing optimisation in hyperbolic networks
Authors: Sulyok Bendegúz , Palla Gergely
Published: December 2023

Finding the optimal embedding of networks into low-dimensional hyperbolic spaces is a challenge that received considerable interest in recent years, with several different approaches proposed in the literature. In general, these methods take advantage of the exponentially growing volume of the hyperbolic space as a function of the radius from the origin, allowing a (roughly) uniform spatial distribution of the nodes even for scale-free small-world networks, where the connection probability between pairs decays with hyperbolic distance. One of the motivations behind hyperbolic embedding is that optimal placement of the nodes in a hyperbolic space is widely thought to enable efficient navigation on top of the network. According to that, one of the measures that can be used to quantify the quality of different embeddings is given by the fraction of successful greedy paths following a simple navigation protocol based on the hyperbolic coordinates. In the present work, we develop an optimisation scheme for this score in the native disk representation of the hyperbolic space. This optimisation algorithm can be either used as an embedding method alone, or it can be applied to improve this score for embeddings obtained from other methods. According to our tests on synthetic and real networks, the proposed optimisation can considerably enhance the success rate of greedy paths in several cases, improving the given embedding from the point of view of navigability.
Association between functional outcomes and psychological variables in persons with spinal cord injury
Authors: Lee Wonha , Jeong SangHyup , Lee Bum-Suk , Lim Jin-cheol , Kim Onyoo
Published: December 2023

We aimed to explore the association of functional outcomes with psychological variables, including depression, anxiety, sleep quality, and suicide risk, in persons with spinal cord injuries (SCIs). The secondary aim was to determine specific functions related to the psychological variables. This retrospective study included 259 persons with SCIs who were admitted to the Korean National Rehabilitation Center between 2019 and 2021. The participants were interviewed by a psychiatrist and completed questionnaires, including the Korean Beck Depression Inventory II (K-BDI-II), Korean Beck Anxiety Index, Insomnia Severity Index, and Mini International Neuropsychiatric Interview. To assess functional outcomes, the Spinal Cord Independence Measure III (SCIM III) and Walking Index for Spinal Cord Injury were determined by a physical therapist. The findings revealed a negative correlation of SCIM III subdivisions 1 and 3 with K-BDI-II. Specifically, feeding and mobility in bed and actions to prevent pressure injuries were functional factors associated with all four psychological variables. Our findings can guide clinicians to focus on improving functional independence and activities of daily living during the management of persons with SCI to prevent psychological consequences. Developing devices that aid in improving functional independence is crucial and may improve psychological problems in such individuals.
Research on vehicle detection based on improved YOLOX_S
Authors: Liu Zhihai , Han Wenyu , Xu Hao , Gong Kesong , Zeng Qingliang , Zhao Xieguang
Published: December 2023

Aiming at the problem of easy misdetection and omission of small targets of long-distance vehicles in detecting vehicles in traffic scenes, an improved YOLOX_S detection model is proposed. Firstly, the redundant part of the original YOLOX_S network structure is clipped using the model compression strategy, which improves the model inference speed while maintaining the detection accuracy; secondly, the Resunit_CA structure is constructed by incorporating the coordinate attention module in the residual structure, which reduces the loss of feature information and improves the attention to the small target features; thirdly, in order to obtain richer small target features, the PAFPN structure tail to add an adaptive feature fusion module, which improves the model detection accuracy; finally, the loss function is optimized in the decoupled head structure, and the Focal Loss loss function is used to alleviate the problem of uneven distribution of positive and negative samples. The experimental results show that compared with the original YOLOX_S model, the improved model proposed in this paper achieves an average detection accuracy of 77.19% on this experimental dataset. However, the detection speed decreases to 29.73 fps, which is still a large room for improvement in detection in real-time. According to the visualization experimental results, it can be seen that the improved model effectively alleviates the problems of small-target missed detection and multi-target occlusion.
C3-epi-25(OH)D3 percentage, not level, may be a potential biomarker to reflect its pathological increase in multiple diseases: a cross-sectional case–control study
Authors: Chen Xiaohong , Tang Jie , Hu Dong , Jiang Wenqiang , Feng Jiafu , Yang Yuwei
Published: December 2023

National surveys in developed countries have examined the presence of C3-epimer of 25-hydroxyvitamin D3 [C3-epi-25(OH)D3]. However, controversy remains regarding its association with disease occurrence due to its high correlation with 25-hydroxyvitamin D3 [25(OH)D3]. This study aims to investigate whether %C3-epi-25(OH)D3 can serve as an indicator for this relationship with various diseases. A total of 3086 healthy participants and 4120 patients were included in this study. We investigated the association between C3-epi-25(OH)D3 and %C3-epi-25(OH)D3 levels with gender, age, and season; compared the performance of C3-epi-25(OH)D3 and %C3-epi-25(OH)D3 across different disease conditions; and explored the correlation between %C3-epi-25(OH)D3 and various diseases. Results indicated that C3-epi-25(OH)D3 varied significantly by gender, age, and season (z/χ2 = 3.765, 10.163, and 150.975, all P < 0.01), while only season for %C3-epi-25(OH)D3 (χ2 = 233.098, P < 0.001). In contrast to the significant decrease in C3-epi-25(OH)D3, %C3-epi-25(OH)D3 showed a significant increase in 8 out of 11 disease categories (z = 3.464 ~ 11.543, all Padj < 0.05). Similar opposite changes were also observed in most of the investigated 32 specific diseases. Moreover, an elevation in %C3-epi-25(OH)D3 was found to be significantly associated with 29 specific diseases both in univariate analysis (OR = 1.16 ~ 2.10, all P < 0.05) and after adjusting for gender, age, and season (OR = 1.15 ~ 1.50, all P < 0.05). However, after further adjustment for 25(OH)D3 levels, the association remained significant only for 15 specific diseases (OR = 1.11 ~ 1.50, all P < 0.05). Seasonal stratification analysis further supports the consistent association of %C3-epi-25(OH)D3 with disease across all or nearly all four seasons. In conclusion, %C3-epi-25(OH)D3 may better reflect the production of C3-epi-25(OH)D3 in disease conditions, thereby offering a more applicable approach to investigate its association with diseases. However, the interpretation of this relationship may be confounded by 25(OH)D3 as a potential covariate.
Remarkable high-temperature ionic thermoelectric performance induced by graphene in gel thermocells
Authors: Han Cheng-Gong , Zhu Yong-Bin , Yang Lijuan , Chen Jiawei , Liu Shengjie , Wang Haoyu , Ma Yingming , Han Dongxue , Niu Li
Published: December 2023

Graphene forms a structure like a “bridge” to link adjacent free water clusters in gels, accelerating ion diffusion and improving ionic thermoelectric performance.
A ddPCR platform based on a microfluidic chip with a dual-function flow-focusing structure for sample-to-result DNA quantification analysis
Authors: Zhang Xiaoliang , Wang Shun , Wang Jinxian , Sun Xiaojie , Xue Jinbing , Wang Zhenya , Yang Tianhang , Weng Liangfei , Wang Bidou , Luo Gangyin
Published: December 2023

A sample-to-result ddPCR platform based on a microfluidic chip with a dual-function flow-focusing structure enabling droplet generation via forward flow and droplet readout via reflux by rotating the rotary valve was developed.
Synthesis, conformational analysis and GalNAc–lectin interactions of a constrained C-glycoside analogue of the TN antigen
Authors: Dourdan Juliette , Rouzier Florian , Huynh Thanh Thao , Bricaud Sullivan , Nourry Arnaud , Guillarme Stéphane
Published: December 2023

Conformational analysis and ligand/protein interaction studies on the original constrained C-glycoside analog of the TN antigen were undertaken.
Characterizing and predicting bluff-body solid fuel ramjet performances via shape design and multi-objective optimization model
Authors: Zhang Ning , Zhao Dan , Shi Jinguang , Huang Hexia , Zhang Yue , Sun Dakun
Published: December 2023

In this work, we propose a rapid optimization approach to examine its application potential for the design and performance prediction and optimization of a solid fuel ramjet (SFRJ) with a bluff body. For this, the shape of the bluff body is parameterized first using the non-uniform rational B-spline method. We then develop a model for predicting SFRJ performances by incorporating both levy motion-gradient descent and support vector regression methods. It is found that a faster prediction is achievable, while the average error is maintained to be less than 5%. We then develop a multi-objective optimization model by considering the full thrust and minimum total pressure loss (TPL). The optimization model is examined using the non-dominated sorting genetic algorithm. A cost parameter is also created to facilitate the tradeoffs between the thrust and TPL in the Pareto front, when different bluff-body design configurations are considered. The present results reveal that an increase in the cost parameter will elevate the turbulence intensity within the SFRJs while drawing the incoming air closer to the fuel surface, resulting in an increase in thrust and regression rate, but the TPL will also increase. When prioritizing the TPL reduction in the design stage, the optimized solution reduces TPL by 50%. Meanwhile, the net thrust is shown to be decreased by less than 3.5%. Furthermore, flow-field investigation reveals that the improved performance of the optimized SFRJ is due to more uniform flow velocity gradients around the bluff body and a reduced rear vortex, resulting in reduced momentum loss. Our proposed optimization approach's robustness has been further confirmed with consistent performances, as the ramjet inlet speed varies over a broad range. It shows that our approach has great potential to be applied for the SFRJ performance prediction and optimization, being operated under various conditions.
Photoelectron spectra of benzene: Can path dependent diabatic surfaces provide unique observables?
Authors: Sah Mantu Kumar , Mukherjee Soumya , Saha Swagato , Naskar Koushik , Adhikari Satrajit
Published: December 2023

While carrying out Beyond Born–Oppenheimer theory based diabatization, the solutions of adiabatic-to-diabatic transformation equations depend on the paths of integration over two-dimensional cross-sections of multi-dimensional space of nuclear degrees of freedom. It is shown that such path-dependent solutions leading to diabatic potential energy surface matrices computed along any two different paths are related through an orthogonal matrix, and thereby, those surface matrices should provide unique observables. While exploring the numerical validity of the theoretical framework, we construct diabatic Hamiltonians for the five low-lying electronic states (X̃2E1g, B̃2E2g, and C̃2A2u) of benzene radical cation (C6H6+) along three different approaches of contour integration over two dimensional nuclear planes constituted by seven non-adiabatically active normal modes. Three different diabatic surface matrices are further employed to generate the photoelectron spectra of the benzene molecule (C6H6). It is interesting to note that the spectral peak positions and intensity patterns for all three cases are almost close to each other and also exhibit very good agreement with the experimental results.
Flow-induced vibrations of ten tandem cylinders at low Reynolds number
Authors: Zhang Luoning , Zhang Zhimeng , Chen Weilin , Srinil Narakorn , Zhu Hongjun , Bao Yan , Ji Chunning
Published: December 2023

Flow-induced vibrations of ten cylinders in tandem arrangement are numerically investigated by using the immersed boundary method with a low Reynolds number (Re = 100). Seven spacing ratios L/D (where L = center–center spacing between tandem cylinders and D = diameter of the cylinder) are selected from 1.1 to 4.0, and the reduced velocity Ur ranges from 2.0 to 13.5 with an increment of 0.5. Small (L/D < 2.0) and large (L/D > 2.0) spacing ranges are identified, both including two types of responses: wake-induced vibration (WIV; Ur = 2.0–9.0∼10.5 for a small L/D and Ur = 2.0–6.0∼6.5 for a large L/D) and wake-induced galloping (WIG; Ur > 9.0∼10.5 for a small L/D and Ur > 6.0∼6.5 for a large L/D). The largest vibration amplitude of each cylinder is obtained in the WIG region for the small L/D condition. The presence of downstream cylinders suppresses the vortex shedding of upstream cylinders and thus postpones the vibration of upstream cylinders at a small Ur, whereas the downstream cylinder enhances the vibration at a larger Ur due to the wake interference. For a small L/D, three flow regimes with the extended-body, reattachment, and co-shedding patterns are successively presented as Ur increases. For a large L/D, four types of flow regimes, namely, EB-2S (the extended-body with “2S” pattern), RT-2S (the reattachment with “2S” pattern), TR-2S (two-row vortex street with “2S” pattern), and CS-VS (co-shedding with variation shedding), are classified. Two new vortex shedding patterns, “2G (two counter-rotating vortices shed from each side per vibration cycle)” and “2C (two co-rotating vortices shed from each side per vibration cycle),” have been identified. In the WIV region, there is only one dominant vibration frequency for upstream cylinders (C1–C7), while a sub-harmonic frequency emerges and dominates C8–C10 when L/D is large. The fluctuating lift force spectra show a broad-band frequency distribution due to the irregular positions of the vortex generation and merging, and the dominant frequency in the WIG region decreases consecutively from C1 to C10.
A two-dimensional Reynolds averaged Navier–Stokes investigation on gap resonance and wave elevation around two side-by-side bodies with motions
Authors: Jiang Zongyu , Tavakoli Sasan , Kujala Pentti , Hirdaris Spyros
Published: December 2023

The coupled dynamics of wave elevation and motions around bodies floating in proximity may be sensitive to radiation and diffraction effects. In this paper, the influence of radiation on wave elevation is examined for two side-by-side boxes subject to forced sway, heave, and roll oscillations in a two-dimensional numerical wave tank. The effects of diffraction on wave elevation and the joint influence of radiation and diffraction are investigated in regular waves assuming free heave motions. Heaving of one or two boxes and single-box sway or roll excites a piston mode of water motions in the proximity gap. Synchronous sway or roll induces sloshing. The close relationship between gap resonance and rapid water exchange in and out of the gap is confirmed. Vortices within the gap drive water exchange and influence the gap wave elevation. Their impact is determined by both spatial and temporal distributions.
Influence mechanism of particle density in a gas−solid fluidized bed
Authors: Zhou Ling , Zhao Zhenjiang , Li Wei , Bai Ling , Agarwal Ramesh K.
Published: December 2023

This paper presents a comprehensive analysis of gas−solid fluidized beds with different particle densities using a coupled computational fluid dynamics−discrete element method. The accuracy of the numerical method is experimentally verified, and the characterization parameters of the gas−solid fluidized bed are evaluated, including velocity distribution, bubble equivalent diameter, dead zone angle, particle force, bed pressure, and mixing index. The effects of five particle densities on the gas−solid fluidized bed were analyzed in detail while contact and drag models were fixed. The predicted results show that an increase in particle density will reduce the distribution of translational and rotational velocities, which will have an inhibitory effect on the bubbles in the bed, with a positive correlation with the angle of the dead zone. It is explained that the main forces on particles during fluidization are contact force, drag force, and pressure gradient force, and the normal contact force is two orders of magnitude larger than the drag force and the pressure gradient force. The phenomenon that the normal contact force is much larger than the tangential contact force is explained. The increase in particle density has an increasing effect on the bed pressure, takes more time to reach a good degree of mixing, and reduces the mixing performance. The study of the effect of particle density on gas−solid fluidized beds can provide theoretical guidance for the structural design as well as theoretical development of subsequent fluidized beds.
Efficient optimization design of flue deflectors through parametric surrogate modeling with physics-informed neural networks
Authors: Cao Zhen , Liu Kai , Luo Kun , Cheng Yuzhou , Fan Jianren
Published: December 2023

In engineering applications, deflectors play a vital role in regulating the uniformity of flow field distribution in the selective catalytic reduction (SCR) system, and their optimal design is a topic of great concern. However, traditional optimal design methods often suffer from insufficient prediction accuracy or too high computational cost. This paper develops and verifies an efficient and robust parametric surrogate model for SCR systems based on the physics-informed neural networks (PINNs) framework. This study comprises three progressive steps. (1) We predicted the flow field distribution in the original flue based on the PINNs framework and compared the results qualitatively and quantitatively with the traditional computational fluid dynamics (CFD) method. The results show that the maximum relative error of velocity is 12.6%, and the relative error is within 5% in most areas. (2) For the optimal design of the deflector in the SCR system, a parametric surrogate model based on the PINNs framework is developed, and the model inputs include not only the coordinate variables but also the position parameters of the deflector. The accuracy and efficiency of this parametric surrogate model are also compared with the traditional CFD method. (3) Based on the parametric surrogate model developed above, the deflector optimal position for the research object of this study is found through two quantitative indicators (uniformity coefficient and flue gas energy loss). The results demonstrate that the parameterized model based on PINNs can reduce the computational time to about 14% compared to traditional methods. Finally, the sensitivity analysis of the deflector position parameters is carried out. Overall, the results of this study demonstrate that the parametric surrogate model based on the PINNs framework is an efficient and robust tool for system optimization, design, and autonomous control.
Drag reduction using riblets downstream of a high Reynolds number inclined forward step flow
Authors: Wang Yeteng , Sun Zhenxu , Ju Shengjun , Guo Dilong , Yin Bo , Pan Boyu , Nan Kaiwei , Yang Guowei
Published: December 2023

Micro-riblet is an efficient passive method for controlling turbulent boundary layers, with the potential to reduce frictional drag. In various applications within the transportation industry, flow separation is a prevalent flow phenomenon. However, the precise drag reduction performance of riblets in the presence of flow separation remains unclear. To address this, an inclined forward step model is proposed to investigate the interaction between riblet and upstream flow separation. The large eddy simulation (LES) method is applied to simulate the flow over geometries with different step angles and riblet positions. The results show riblets still reduce wall frictional resistance when subjected to the upstream flow separation. Remarkably, as the angle of the step increases from 0° to 30°, the drag reduction experiences an increment from 9.5% to 12.6%. From a turbulence statistics standpoint, riblets act to suppress the Reynold stress in the near-wall region and dampen ejection motions, thus weakening momentum exchange. Quadrant analysis reveals that with the augmentation of flow separation, the Q2 motion within the flow field intensifies, subsequently enhancing the riblet-induced drag reduction. Moreover, the position of the riblets has a significant impact on the pressure drag. Riblets close to the point of separation enhance flow separation, altering the surface pressure distribution and thus increasing the resistance. The results reveal that when the riblets are positioned approximately 160 riblet heights away from the step, their effect on the upstream flow separation becomes negligible. The precise performance of riblets under complex flow conditions is important for their practical engineering application.
Mechanism of hydrophobic gating in the acetylcholine receptor channel pore
Authors: Kumari Monika , Khatoon Nadira , Sharma Rachita , Adusumilli Sushanth , Auerbach Anthony , Kashyap Hemant K. , Nayak Tapan K.
Published: December 2023

Neuromuscular acetylcholine receptors (AChRs) are hetero-pentameric, ligand-gated ion channels. The binding of the neurotransmitter acetylcholine (ACh) to two target sites promotes a global conformational change of the receptor that opens the channel and allows ion conduction through the channel pore. Here, by measuring free-energy changes from single-channel current recordings and using molecular dynamics simulations, we elucidate how a constricted hydrophobic region acts as a “gate” to regulate the channel opening in the pore of AChRs. Mutations of gate residues, including those implicated in congenital myasthenia syndrome, lower the permeation barrier of the channel substantially and increase the unliganded gating equilibrium constant (constitutive channel openings). Correlations between hydrophobicity and the observed free-energy changes, supported by calculations of water densities in the wild-type versus mutant channel pores, provide evidence for hydrophobic wetting–dewetting transition at the gate. The analysis of a coupled interaction network provides insight into the molecular mechanism of closed- versus open-state conformational changes at the gate. Studies of the transition state by “phi”(φ)-value analysis indicate that agonist binding serves to stabilize both the transition and the open state. Intersubunit interaction energy measurements and molecular dynamics simulations suggest that channel opening involves tilting of the pore-lining M2 helices, asymmetric outward rotation of amino acid side chains, and wetting transition of the gate region that lowers the barrier to ion permeation and stabilizes the channel open conformation. Our work provides new insight into the hydrophobic gate opening and shows why the gate mutations result in constitutive AChR channel activity.
Large-size gold–aluminum alloy cluster Al12Au60 stabilized by an encapsulating B12 icosahedron: a first-principles study
Authors: Guo Jing-Jing , Liu Peng-Bo , Chen Yi-Sha , Zhao Hui-Yan , Wang Jing , Liu Ying
Published: December 2023

The investigation of novel clusters incorporating gold (Au) has attracted increasing attention due to their intriguing architecture and feasibility of experimental synthesis. In this study, a large-size gold–aluminum alloy cluster with icosahedral B12 as its core, specifically a B12@Al12Au60 cluster, is proposed and demonstrated to have remarkable stability as ascertained through first-principles calculations. The core–shell assembly, B12@Al12Au60, exhibiting I symmetry, is characterized by the incorporation of an icosahedral B12 motif within the outer shell of the Al12Au60 framework. By thorough analysis encompassing vibrational frequency and molecular dynamics simulations, the structural stability of the core–shell B12@Al12Au60 is investigated. The electronic characteristics are probed through adaptive natural density partitioning analysis, revealing the presence of 66 multi-center two-electron σ bonds distributed across the entirety of the core–shell configuration. Furthermore, scrutiny of distinct dimeric configurations composed of core–shell B12@Al12Au60 underscores their relative autonomy and potential prospects for applications within cluster-assembled materials.
Research on the tension of steel cord conveyor belts based on transverse vibration modelling
Authors: Sun Xiaoxia , Xiao Hui , Meng Wenjun
Published: December 2023

The accurate non-contact tension measurement of steel cord conveyor belt, an important load bearing medium, is critical for long distance belt conveyors. It is necessary to establish the relationship between the conveyor belt transverse vibration and the tension, in order to analyse the conveyor belt tension changes through indirect measurement of transverse vibration. The paper analyses the existing models of transverse vibration in conveyor belts, and finds that these models can hardly directly and accurately calculate the tension of the conveyor belt. Therefore, modifications are needed. Firstly, the paper establishes a dynamic model of the belt conveyor and conducts simulation analysis using RecurDyn software. This allows the authors to obtain the belt tension and transverse vibration displacement of the conveyor belt. Fast Fourier transform is employed to determine the vibration frequency, which is used to evaluate the vibration characteristics of conveyor belts under different operating conditions. Then, the paper conducts simulation analysis on the frequency and tension of the belt conveyor with different idler spacing, and performs nonlinear least squares calculation in MATLAB software to modify the coefficients of the transverse vibration model. This process involves nonlinear fitting, resulting in an improved transverse vibration model. Finally, the modified transverse vibration model is compared with the original model. The modified transverse vibration model can more accurately calculate the tension of the conveyor belt based on its vibration frequency. The validity of the modified model is verified by different types of conveyor belts.
Exploring the properties of the
VB−
defect in hBN: optical spin polarization, Rabi oscillations, and coherent nuclei modulation
Authors: Murzakhanov Fadis F , Sadovnikova Margarita A , Gracheva Irina N , Mamin Georgy V , Baibekov Eduard I , Mokhov Evgeniy N
Published: December 2023

Optically active point defects in semiconductors have received great attention in the field of solid-state quantum technologies. Hexagonal boron nitride, with an ultra-wide band gap

E
g

= 6 eV, containing a negatively charged boron vacancy (

V
B
−

) with unique spin, optical, and coherent properties presents a new two-dimensional platform for the implementation of quantum technologies. This work establishes the value of

V
B
−

spin polarization under optical pumping with λ
ext = 532 nm laser using high-frequency (ν
mw = 94 GHz) electron paramagnetic resonance (EPR) spectroscopy. In optimal conditions polarization was found to be P ≈ 38.4%. Our study reveals that Rabi oscillations induced on polarized spin states persist for up to 30–40 μs, which is nearly two orders of magnitude longer than what was previously reported. Analysis of the coherent electron–nuclear interaction through the observed electron spin echo envelope modulation made it possible to detect signals from remote nitrogen and boron nuclei, and to establish a corresponding quadrupole coupling constant C

q
= 180 kHz related to nuclear quadrupole moment of 14N. These results have fundamental importance for understanding the spin properties of boron vacancy.
High-directivity far-field radiation of quantum dot-based single-photon emitter coupled to polymeric circular waveguide resonant grating
Authors: Ngo Gia Long , Le Xuan Phuc , Pham Quang Truong , Hermier Jean-Pierre , Lai Ngoc Diep
Published: December 2023

Solid-state single-photon emitters (SPEs) commonly encounter the limitation of quasi-omnidirectional radiation patterns, which poses challenges in utilizing their emission with conventional optical instruments. In this study, we demonstrate the tailoring of the far-field radiation patterns of SPEs based on colloidal quantum dots (QDs), both theoretically and experimentally, by employing a polymer-based dielectric antenna. We introduce a simple and cost-effective technique, namely low one-photon absorption direct laser writing, to achieve precise coupling of a QD into an all-polymer circular waveguide resonance grating. By optimizing the geometry parameters of the structure using 3D finite-difference time-domain simulations, resonance at the emission wavelength of QDs is achieved in the direction perpendicular to the substrate, resulting in photon streams with remarkably high directivity on both sides of the grating. Theoretical calculations predict beam divergence values below 2°, while experimental measurements using back focal plane imaging yield divergence angles of approximately 8°. Our study contributes to the evaluation of concentric circular grating structures employing low refractive index polymer materials, thereby expanding the possibilities for their application.
Tunable strong magnon-magnon coupling in two-dimensional array of diamond shaped ferromagnetic nanodots
Authors: Majumder Sudip , Choudhury Samiran , Barman Saswati , Otani Yoshichika , Barman Anjan
Published: December 2023

Hybrid magnonics involving coupling between magnons and different quantum particles have been extensively studied during past few years for varied interests including quantum electrodynamics. In such systems, magnons in magnetic materials with high spin density are utilized where the ‘coupling strength’ is collectively enhanced by the square root of the number of spins to overcome the weaker coupling between individual spins and the microwave field. However, achievement of strong magnon-magnon coupling in a confined nanomagnets would be essential for on-chip integration of such hybrid systems. Here, through intensive study of interaction between different magnon modes in a Ni80Fe20 (Py) nanodot array, we demonstrate that the intermodal coupling can approach the strong coupling regime with coupling strength up to 0.82 GHz and cooperativity of 2.51. Micromagnetic Simulations reveal that anticrossing occurs due to change in exchange configuration (symmetry breaking). The coupling strength could be continuously tuned by varying the bias field (H
ext) strength and orientation (ϕ), opening routes for external control over hybrid magnonic systems. These findings could greatly enrich the rapidly evolving field of quantum magnonics.
Volumetric thermo-convective and stratified prandtl fluid magnetized flow over an extended convectively inclined surface with chemically reactive species
Authors: Bilal S , Asadullah  , Pan Kejia , Ramzan Muhammad , Saleel C Ahamed
Published: December 2023

Substantive applications of stratified flows have been observed in various industrial operating systems. Stratified flows driven by gravity differences possess pervasive significance in the performance of nuclear reactors along with the management of safety problems due to pressurized thermal shock and induced water condensation. In addition, thermos-gravitational stratified regimes also play an exclusive role in multiphase processes in diversified engineering disciplines. Therefore, this artifact investigates the thermal and solutally stratified Prandtl fluid flow over an inclined extendable surface with magnetic field aspects. Convective boundary constraints are prescribed at the surface of the sheet and chemical reaction of first-order is also accounted. Firstly, problem formulation is conceded in the form of PDEs which are later transformed into ODEs by employing a similar set of variables. Then these ODEs are solved by employing the shooting method in collaboration with the Runge–Kutta scheme. A comparison of results in a restrictive sense with outcomes attained from an analytical approach to analyze the robustness and accuracy of currently employed schemes is also executed. The results expressing the behavior of the involved parameters on flow distributions are revealed in graphical and tabular formats. It is revealed that the heat and mass flux coefficients increase by up to 41% and 22%, respectively, in the presence of stratification in comparison to the situation when it is absent. The velocity of the fluid is accelerated by uplifting the angle of inclination and buoyancy ratio parameters. By increasing the magnitude of the model flow parameters, the fluid velocity increased. The Prandtl number tends to reduce the temperature and elevate the heat-flux coefficient. The velocity distribution showed a positive trend with the change in the angle of inclination.
Numerical study of a new time-fractional Mpox model using Caputo fractional derivatives
Authors: Venkatesh A , Manivel M , Baranidharan B , Shyamsunder
Published: December 2023

This study examines the new time-fractional model for Mpox, utilizing Caputo fractional derivatives, specifically focusing on pregnant individuals. The fractional variational iteration method (FVIM) is used to compute a numerical solution for this model. The results of the convergence investigation indicate that the solution obtained exhibits positivity and possesses a well-defined limit. The study yielded significant insights into the intricate dynamics of Mpox viral transmission in pregnant women, affirming the dependability and strength of the Caputo fractional variational approach in forecasting the progression of the illness. The novelty lies in demonstrating how fractional derivatives can capture memory effects in the spread of disease; it provides a more enhanced understanding of the dynamics. Moreover, the suggested model incorporates the notion of optimal control inside different mathematical systems, such as the Fornberg-Whitham equation and the Newell-Whitehead-Segel equation. The convergence of the model described in this study offers empirical support that validates the dependability and suitability of the proposed methodology.
Thermal and power performance optimization of cost-effective solar cells using eco-friendly perovskite materials
Authors: Chaudhary Akhilesh Kumar , Verma Sudhanshu , Chauhan R K
Published: December 2023

In this paper, a novel solar cell is proposed that utilizes a Sn-based perovskite (CH3NH3SnI3) absorber layer and a graphene oxide (GO) hole transport layer. The proposed device demonstrates exceptional power conversion efficiency (PCE), fill factor (FF), temperature stability, and environmental sustainability, all while maintaining low cost. Through simulations and analysis using 1D SCAPS, it is shown that the proposed perovskite solar cell (PSC) achieves a PCE of 22.24% and an FF of 83% at 45 °C, with a quantum efficiency exceeding 85% in the visible spectrum. Furthermore, the proposed PSC maintains its performance at high temperatures ranging from 85 °C to 95 °C, in the wake of incorporation of GO and mesoporous carbon. The optimized value of the proposed PSC is then simulated with the inclusion of the microstructural properties in COMSOL Multiphysics and 20.92% PCE is observed. By avoiding toxic Pb-based materials and incorporating Sn-based materials as well as low-cost and scalable elements such as ZnO, GO, and mesoporous carbon, the proposed device minimizes its environmental impact and processing cost. Overall, this proposed PSC shows great promise as a viable option for large-scale solar energy applications.
Propagation of electromagnetic pulses with nonzero area in dissipative media
Authors: Bogatskaya A V , Volkova E A , Popov A M
Published: December 2023

The propagation of ultrashort electromagnetic pulses with a nonzero electric area in dielectric and conducting media is studied in the frame of a unidirectional propagation model. General solutions for the electric pulse area are obtained for different types of media with a linear response to the external field. It is shown that the evolution of the electric area of the pulse is dramatically different for conducting and non-conducting media. In the case of dielectrics, where the current induced by an external field arises from the polarization of bound electrons, the electric pulse area is an invariant of pulse propagation in spite of the dissipation process. For media with free charge carriers (plasma or semiconductors), the electric pulse area decreases with time due to Joule heating of the media by the static component of the field.