bluuebunny/crossref_metadata_2025 huggingface dataset:
Sustainable synthesis and advanced optimization of Prosopis juliflora biomass catalyst for efficient biodiesel production and environmental impact assessment
Authors: Rao Thota S S Bhaskara , Gnanaprakasam Manikandaraja , Manimaran Rajayokkiam , Balasubramanian Dhinesh , Kale Utku , Kilikevičius Artūras
Published: February 2025

The present research focuses on developing an innovative biochar-based heterogeneous catalyst from Prosopis Juliflora biomass waste using response surface methodology and genetic algorithm (GA) to optimize pyrolysis parameters, achieving a 46.31% PJBC yield from 60 mg of biomass at 790 °C for 60 min. The pyrolyzed PJBC is characterized using SEM, FTIR, XRD, EDX, BET, XPS analyses, and physico-chemical measurements to confirm its catalytic activity. Now, the newly synthesized PJBC serves as an efficient catalyst for waste Trichosanthes cucumerina seed biodiesel (WTSB) production from waste Trichosanthes cucumerina seed bio-oil through trans-esterification, achieving a maximum yield of 97.42%. Also, the WTSB exhibits excellent physico-chemical properties that meet most of the ASTM D6751 standards for biodiesel and closely align with the characteristics of conventional diesel fuel. Therefore, this research utilized neat WTSB and WTSB/diesel blends (WTSB25, WTSB50, and WTSB75) in a direct injection (DI) diesel engine at variable load settings. Among all WTSB blends, the WTSB25 blend showed closer variations of 1.65% lower BTE and 9.29% higher BSEC when compared to conventional diesel fuel readings. Its peak in-cylinder pressure and heat release rate were similar to those of diesel fuel at 100% engine load. Emission analysis indicated that the WTSB25 reduced specific HC, CO, and smoke opacity emissions by 8.39%, 13.97%, and 4.18%, respectively. However, specific NO emissions increased slightly by 3.05% compared to diesel fuel. Thus, WTSB25 is validated as a viable diesel alternative requiring no significant engine modifications. The environmental impact, lifecycle and economic feasibility are also discussed.
Trichromacy is insufficient for mate detection in a mimetic butterfly
Authors: Dang Andrew , Bernard Gary D. , Yuan Furong , Macias-Muñoz Aide , Hill Ryan I. , Lawrence J. P. , Rangel Olguin Aline Giselle , Luis-Martínez Armando , Mullen Sean P. , Llorente-Bousquets Jorge , Briscoe Adriana D.
Published: February 2025

Color vision is thought to play a key role in the evolution of animal coloration, while achromatic vision is rarely considered as a mechanism for species recognition. Here we test the hypothesis that brightness vision rather than color vision helps Adelpha fessonia butterflies identify potential mates while their co-mimetic wing coloration is indiscriminable to avian predators. We examine the trichromatic visual system of A. fessonia and characterize its photoreceptors using RNA-seq, eyeshine, epi-microspectrophotometry, and optophysiology. We model the discriminability of its wing color patches in relation to those of its co-mimic, A. basiloides, through A. fessonia and avian eyes. Visual modeling suggests that neither A. fessonia nor avian predators can readily distinguish the co-mimics’ coloration using chromatic or achromatic vision under natural conditions. These results suggest that mimetic colors are well-matched to visual systems to maintain mimicry, and that mate avoidance between these two look-alike species relies on other cues.
Alliaceae vegetable consumption and sarcopenia: findings from the TCLSIH cohort study
Authors: Wang Xuena , Geng Hao , Li Jiaoyang , Meng Ge , Wu Hongmei , Gu Yeqing , Huang Jian , Huo Junsheng , Zhang Bing , Ding Gangqiang , Niu Kaijun
Published: February 2025

Regular intake of Alliaceae family vegetables, particularly garlic and onions, demonstrates significant potential in reducing sarcopenia risk among elderly populations, suggesting their protective role in preventing age-related muscle degeneration.
Reaction development: a student's checklist
Authors: Tyler Jasper L. , Trauner Dirk , Glorius Frank
Published: February 2025

So you've discovered a reaction. This review discusses the key areas involved in developing new reactions and provides a handy checklist guide to help maximise the potential of your novel transformation.
Achieving 19.6% efficiency in organic photovoltaics through guest-polymer assisted morphological fibrillization
Authors: Li Zhenye , Xie Jiefeng , Wang Wenquan , Yang Zhiyuan , Kan Lixuan , Zhang Ming , Wang Zaiyu , Yang Wenyu , Peng Feng , Zhong Wenkai , Ying Lei
Published: February 2025

A versatile guest-polymer-assisted morphological fibrillization strategy is introduced to substantially enhance the performance of organic photovoltaics.
Stepwise kinetics of the early-stage nucleation in chiral perovskites via ab initio molecular dynamics and free-energy calculations
Authors: Fortino Mariagrazia , Schifino Gioacchino , Salvalaglio Matteo , Pietropaolo Adriana
Published: February 2025

This study examines the early-stage nucleation of chiral perovskites, uncovering a stepwise kinetic mechanism across timescales from picoseconds to microseconds.
Design, analysis, and application of metal–organic framework derived carbons
Authors: Powell Joshua A. , Yang Yihao , Zhou Hong-Cai
Published: February 2025

MOF-derived carbons are a class of porous material that combine the stability of porous carbon with the functionality and versatility of MOFs. This review describes the systematic design, characterization, and application of these materials.
Temperature response of defect photoluminescence in locally functionalized single-walled carbon nanotubes
Authors: Hamano Ryo , Niidome Yoshiaki , Tanaka Naoki , Shiraki Tomohiro , Fujigaya Tsuyohiko
Published: February 2025

Near-infrared emission from low-density defects in single-walled carbon nanotubes (SWCNTs) functions as a highly sensitive thermometer, with its sensitivity varying depending on factors such as the defect structure and the length of the SWCNTs.
Ethanol-assisted synthesis of titanium-rich TS-1 zeolite: a new hexa-coordinated Ti site for efficient propylene epoxidation
Authors: Hao Dapeng , Li Xintong , He Guangyuan , Bai Risheng , Bai Yang , Zhang Tianjun , Bai Lisu , Li Jialiang , Zhang Qiang , Mei Donghai , Feng Zhaochi , Yu Jihong
Published: February 2025

This work introduces an ethanol-assisted synthesis strategy that facilitates the incorporation of a new hexa-coordinated Ti species into TS-1 zeolite that is highly active in the propylene epoxidation reaction.
Nitrogen-deficient porous g-C3N4 derived from an HMTA-regulated supramolecular precursor for enhanced photocatalytic H2 evolution
Authors: Mao Liuhao , Chen Kailin , Jiang Yuzhou , Kang Xing , Zhang Yazhou , Cheng Cheng , Chen Yu , Shi Jinwen
Published: February 2025

N-defect-rich porous g-C3N4 is derived from an HMTA-regulated supramolecular precursor for enhanced photocatalytic H2-production performance.
Pd3Se10: a semiconducting cluster-based material
Authors: Irvine Cullen T. , Wang Chenguang , Yu Bowen , Song Tianze , Reifsnyder Alexander , Khalifa Yehia , Windl Wolfgang , McComb David W. , Goldberger Joshua E.
Published: February 2025

Finding the right combination of conditions to synthesize and characterize new semiconducting superatomic crystals requires strategy, perseverance, and a little bit of luck.
Incorrect Statements and Citing Errors Regarding the Effect of Ankyloglossia on Speech in Cordray et al., 2023
Authors: Kummer Ann W.
Published: February 2025

Purpose:

There is a great deal of misinformation among professionals about the effect (or lack thereof) of ankyloglossia on speech. Consequently, many children undergo unnecessary frenotomy procedures that do not improve their speech and may cause unnecessary complications. This letter points out several erroneous statements in Cordray et al. (2023) about the effect of ankyloglossia on speech. In addition, it identifies articles that were incorrectly cited to support these statements. This letter also reveals significant errors of omission, including the results of the systematic review from the Agency for Healthcare Research and Quality, which found that there is insufficient evidence to conclude that ankyloglossia affects speech. Another omission was the consensus statement from the American Academy of Otolaryngology–Head and Neck Surgery Consensus Report, which states that ankyloglossia does not typically affect speech. Finally, this letter details the reasons why ankyloglossia is highly unlikely to affect speech.

Conclusion:

Contrary to statements made in Cordray et al. (2023), there is no evidence that ankyloglossia affects speech production, and therefore, it is highly unlikely to be the cause of a speech sound disorder. This is because even with severe restriction of tongue tip movement, a compensation (or alternative method of production) can be used to produce lingual phonemes with the same acoustic output.
A state‐variable‐preserving method for the efficient modelling of inverter‐based resources in parallel EMT simulation
Authors: Wang Qiguo , Xu Jin , Wang Keyou , Li Guojie , Feng Zhenyuan
Published: February 2025

The aggregation models of renewable energy power stations are difficult to apply to the stability research of the fault inside the station or the oscillation analysis between the station and the grid‐side system, and the high dimensional characteristics of their detailed model will pose an enormous challenge to the simulation efficiency. To alleviate the contradiction between accuracy and efficiency, this paper proposes a state‐variable‐preserving method to efficiently model inverter‐based resources and a node tearing method to realize parallel simulation of the renewable energy power station consisting of inverter‐based resources. The state‐variable‐preserving model uses discrete state space expression to eliminate the internal nodes on the basis of preserving the original variables of the generation unit and reduces the solving scale of the generation station. The node tearing method reduces the solving complexity of the associated variables, which is more consistent with the topology characteristic that different power generation clusters are interconnected by the same bus. In the case study, the results of numerical accuracy analysis and numerical stability analysis of a photovoltaic power plant verify the reliability of the proposed method, and its simulation efficiency is verified by changing the scale of the photovoltaic power plant.
Dynamic smart contracts framework on Ethereum private blockchain for real estate management
Authors: Jamshed Huma , Waheed Urooj , Iqbal Shahid , Faheem Muhammad , Ashraf Muhammad Waqar , Mansoor Yusra
Published: February 2025

Blockchain technology enables the recording of information in an immutable manner, making it extremely difficult or nearly impossible to alter, hack, or manipulate. Its adoption is expected to enhance long‐term economic sustainability across various industries, including real estate. Traditional real estate transactions typically involve third‐party intermediaries to record and validate informal transactions. However, blockchain technology has the potential to revolutionize the real estate sector by transforming how properties are bought and sold. Features such as efficiency, transparency, process automation through smart contracts, robust consensus mechanisms, and enhanced security measures can reshape the real estate landscape by increasing efficiency and reducing costs. This paper explores the challenges currently faced by the real estate industry and reviews the literature on the disruptive impact of blockchain technology in this sector. A conceptual framework for a private blockchain is proposed based on the Ethereum platform, utilizing proof of authority as the consensus mechanism, specifically designed for property transactions. The proposed model integrates self‐sovereign identity for secure and decentralized identity management, incorporates digital wallets for transaction management, and leverages smart contracts to automate processes. This approach enhances transparency in digital transactions, thereby fostering greater trust between users and service provider.
The effectiveness of FAT‐Net in chest X‐ray segmentation
Authors: Khorasani Maedeh Sadat , Babapour Mofrad Farshid
Published: February 2025

Objective: The segmentation of lung images is intricate due to the varied forms and distortions caused by the disease. One of the standard tools for checking and diagnosing lung diseases is CXR images. In this regard, the effectiveness of the FAT‐Net network for automatic segmentation of lung CXR images was investigated. To our knowledge, research has yet to employ the proposed network to segment lung CXR images.

Materials and methods: The suggested network's performance was compared to two pre‐existing networks, Attention U‐Net and SegNet. Evaluations were performed on two public datasets named Montgomery and Shenzhen. After preprocessing the data, all three models were trained and evaluated.

Results: The accuracy and Dice obtained for the proposed network are 98.12 and 96.10, respectively, and the average IOU index, which dominates the Attention U‐Net and SegNet networks, shows the stability and the suggested network outperforms previous networks reported in the literature for lung image segmentation and is more robust than the other two networks.

Conclusion: According to the evaluations performed on the Montgomery and Shenzhen datasets, the proposed network has provided more accurate and reliable segmentation for lung CXR images by mastering the two networks above.
The Effect of Electronic Health Record and Immunization Information System Interoperability on Medical Practice Vaccination Workflow
Authors: Dombkowski Kevin J. , Patel Pooja N. , Peng Hannah K. , Cowan Anne E.
Published: February 2025

Background Interoperability between electronic health records (EHR) and immunization information systems (IIS) may positively influence data quality, affecting timeliness, completeness, and accuracy of these data. However, the extent to which EHR/IIS interoperability may influence the day-to-day vaccination workflow and related recordkeeping tasks performed at medical practices is unclear.

Objective This study aimed to assess how EHR/IIS interoperability may influence the vaccination workflow at medical practices and to identify related impacts on clinical and administrative activities.

Methods We identified practices (family medicine, pediatrics, internal medicine, local health departments) from the Michigan Care Improvement Registry (MCIR), the statewide IIS in Michigan, representing each of the three HL7 interoperability levels (non-HL7, unidirectional, bidirectional). We conducted semi-structured interviews to assess how practices interact with the MCIR throughout the vaccination workflow. Transcripts were reviewed and coded to characterize practices' use of EHRs, MCIR, and other related technologies across the vaccination workflow.

Results Practices completed Phase 1 (n = 45) and Phase 2 (n = 42) interviews, representing a range of medical specialties, geographic locations, and sizes. HL7 connectivity expanded among the participating practices; by the conclusion of the study, all practices had initiated at least unidirectional HL7 capability. Providers and staff relied heavily upon both their EHRs and MCIR throughout a wide range of vaccination-related activities. Most practices relied on MCIR as their primary source of vaccination history information, and nearly all practices also reported use of paper forms, documentation, and other summaries throughout the vaccination workflow.

Conclusion Practices employed both their EHRs and IIS throughout the entire vaccination workflow, although the use of each relied heavily on paper-based processes. While benefits of adopting EHR/IIS interoperability were reported by practices, this may require staff to learn and implement new workflow processes that can be time consuming and may introduce new challenges.
Welche Relevanz hat Advance Care Planning für die pädiatrische Intensivstation?
Authors: Keller Simone
Published: February 2025

Advance Care Planning hat in der Palliative Care einen hohen Stellenwert. Dabei werden Wünsche und Bedürfnisse von Patienten und deren Familien erfasst, Therapieziele und Maßnahmen für den Krankheitsverlauf und das Lebensende frühzeitig diskutiert und festgehalten. Bei der Betreuung von kritisch kranken Kindern auf der Intensivstation sind Kommunikation und Entscheidungsfindungsprozesse von großer Wichtigkeit, und sie stellen hohe Anforderungen an das Behandlungsteam. Der folgende Beitrag zeigt den Nutzen und die positiven Aspekte von Advance Care Planning, auch für das Setting der Intensivstation.
Performance measures for small-bowel endoscopy: a European Society of Gastrointestinal Endoscopy (ESGE) Quality Improvement Initiative – Update 2025
Authors: Sidhu Reena , Shiha Mohamed G. , Carretero Cristina , Koulaouzidis Anastasios , Dray Xavier , Mussetto Alessandro , Keuchel Martin , Spada Cristiano , Despott Edward J. , Chetcuti Zammit Stefania , McNamara Deirdre , Rondonotti Emanuele , Sabino João , Ferlitsch Monika ,   External Voting Panel
Published: February 2025

Quality markers and patient experience are being implemented to ensure standardization of practice across gastrointestinal (GI) endoscopy procedures. The set benchmarks ensure high quality procedures are delivered and linked to measurable outcomes.

There has been an increase in the demand for small-bowel endoscopy. In 2019, the European Society of Gastrointestinal Endoscopy (ESGE) embarked on setting performance measures for small-bowel endoscopy. This included major (key) and minor performance indicators for both small-bowel capsule endoscopy (SBCE) and device-assisted enteroscopy (DAE). These suggested quality indicators cover all procedure domains, from patient selection and preparation, to intraprocedural aspects such as pathology identification, appropriate management, the patient experience, and post-procedure complications. Since 2019, there has been an increase in published studies looking at different aspects of small-bowel endoscopy, including real-world data. This paper provides an update on the 2019 performance measures, considering the latest literature.
Challenges and Opportunities for Implementing Green Chemistry in Nigerian Universities: Educational and Policy Perspectives
Authors: Akinsipo Oyesolape Basirat , Anselm Oluwaseun Hannah
Published: February 2025

This study examines green chemistry's emergence in Nigerian universities through analysis of perspectives from an 8-member focus group of experts in nanochemistry, green chemistry, and chemistry education. The 6-hour discussion evaluates awareness levels, implementation barriers, and future prospects. While participants recognize green chemistry's importance, several challenges impede its adoption in developing nations, primarily funding constraints, resource limitations, and insufficient awareness. The study identifies key advancement areas: incorporating AI and advanced material science, fostering academic-industrial partnerships, and implementing systematic curriculum reforms. Recommendations emphasize comprehensive green chemistry education, enhanced international collaboration, and improved sustainable chemical practice policies. The research highlights green chemistry's role in addressing 21st-century challenges like climate change, pollution, and resource scarcity, while emphasizing the need for context-appropriate solutions in developing regions. Success in implementing green chemistry principles requires coordinated efforts from academia, industry, and government. Special emphasis is placed on developing human capital in developing nations and facilitating knowledge exchange through international research collaborations. These findings underscore the importance of tailored approaches to green chemistry implementation in developing countries while maintaining global cooperation.
CsCF3B(OMe)3: A Versatile Nucleophilic Source of the Trifluoromethyl Anion
Authors: Dupeux Aurélien , Durant Andrew G. , Rabeda Karolina , Lautens Mark , Mirabi Bijan , Marchese Austin D. , Algera Russell F. , Monfette Sebastien , Roosen Philipp C.
Published: February 2025

We have identified cesium trimethoxy(trifluoromethyl)borate [CsCF3B(OMe)3] as a nucleophilic source for the trifluoromethylation of carbonyl compounds. A differentiating characteristic of CsCF3B(OMe)3 is its heightened reactivity in ethereal solvents compared to its potassium analogue, which is typically employed in dimethylformamide. Also, in contrast to the extensively studied Ruppert–Prakash reagent (TMSCF3), CsCF3B(OMe)3 does not require the addition of an exogenous activator. Described herein, we detail the synthesis of CsCF3B(OMe)3 and demonstrate its efficacy in trifluoromethylation across various scaffolds, including methyl ketones, isatin derivatives, and 1,2-acyclic dicarbonyls.
Sputter epitaxy of ScAlN films on GaN high electron mobility transistor structures
Authors: Okuda Tomoya , Ota Shunsuke , Kawahara Takahiko , Makiyama Kozo , Nakata Ken , Maeda Takuya , Kobayashi Atsushi
Published: February 2025

ScAlN has emerged as a promising material for GaN-based high electron mobility transistors (HEMTs) due to its unique piezoelectric and ferroelectric properties, which can significantly enhance electronic performance. This study investigated the epitaxial growth of ScAlN films on AlGaN/GaN HEMT structures using a sputtering method, focusing on the structural and electrical characteristics of the heterostructures. ScAlN films with varying Sc compositions (5%–20%) were grown on AlGaN/AlN/GaN/SiC template substrates. High-resolution x-ray diffraction and reciprocal space mapping revealed the coherent growth of ScAlN, and the increase in the c-axis lattice constant increases with Sc composition. Hall effect measurements of the Sc0.06Al0.94N/AlGaN/AlN/GaN HEMT structures showed an increase in sheet carrier density compared to structures prior to the growth of ScAlN, highlighting its potential for improved electrical performance. These findings underscore the value of ScAlN as a barrier layer material of GaN HEMTs, enhancing device efficiency and output power.
Prediction of induced fluxes in reverse nonequilibrium molecular dynamics
Authors: Oishi Tatsuma , Koide Yusuke , Ishida Takato , Masubuchi Yuichi , Uneyama Takashi
Published: February 2025

Reverse nonequilibrium molecular dynamics (RNEMD) simulations impose a flux by swapping the velocities of two particles. This method allows for the calculation of transport coefficients, such as thermal conductivity and viscosity. The relation between the induced fluxes and the control parameters of RNEMD (such as the time interval between successive swap events) is not clear. Thus, trial-and-error is required to realize the desired fluxes in RNEMD simulations. In this study, we develop a theoretical framework using extreme value statistics to estimate the relation between the time interval and the resulting induced fluxes. Our RNEMD simulations, conducted with varying time intervals, confirm that the theoretical predictions are quantitatively consistent with the simulation results when the time interval exceeds the momentum relaxation time. Our RNEMD simulations also show that our theoretical predictions, which are valid for a large number of particles for swap candidates, work well even for a relatively small number of particles for swap candidates. These findings demonstrate that the induced fluxes can be reliably estimated, providing a valuable tool for selecting appropriate RNEMD parameters for simulations.
The first step of cyanine dye self-assembly: Dimerization
Authors: Espinoza Cangahuala Mónica K. , Krishnaswamy Sundar Raj , Kuevda Alexey V. , Pshenichnikov Maxim S. , Jansen Thomas L. C.
Published: February 2025

Self-assembling amphiphilic cyanine dyes, such as C8S3, are promising candidates for energy storage and optoelectronic applications due to their efficient energy transport properties. C8S3 is known to self-assemble in water into double-walled J-aggregates. Thus far, the molecular self-assembly steps remain shrouded in mystery. Here, we employ a multiscale approach to unravel the first self-assembly step: dimerization. Our multiscale approach combines molecular dynamics simulations with quantum chemistry calculations to obtain a Frenkel exciton Hamiltonian, which we then use in spectral calculations to determine the absorption and two-dimensional electronic spectra of C8S3 monomer and dimer systems. We model these systems solvated in both water and methanol, validating our model with experiments in methanol solution. Our theoretical results predict a measurable anisotropy decay upon dimerization, which is experimentally confirmed. Our approach provides a tool for the experimental probing of dimerization. Moreover, molecular dynamics simulations reveal that the dimer conformation is characterized by the interaction between the hydrophobic aliphatic tails rather than the π–π stacking previously reported for other cyanine dyes. Our results pave the way for future research into the mechanism of molecular self-assembly in similar light-harvesting complexes, offering valuable insights for understanding and optimizing self-assembly processes for various (nano)technological applications.
Phase noise measurement by zero-crossing analysis with a double recorder setup in the radio frequency range
Authors: Takeuchi Makoto , Saito Haruo
Published: February 2025

The phase noise of low-noise oscillators is conventionally measured by the cross-spectrum method (CSM), which has a complicated setup. We developed an alternative method called zero-crossing analysis with a double recorder setup (ZCA-DRS) that has a much simpler configuration, which we previously demonstrated to measure phase noise in the audible frequency range. In this study, we conducted experiments using ZCA-DRS to measure phase noise in the radio frequency range. A temperature-compensated crystal oscillator was used to generate a periodic signal at 27 MHz. The results demonstrated that the obtained single-sideband spectrum was almost the same as that obtained by CSM. The measurement sensitivity was limited by the jitter of the internal clock and the noise of the analog-to-digital converter. Thus, ZCA-DRS can be used as an alternative to CSM for phase noise measurement in the radio frequency range.
Reevaluating infrared spectroscopic signatures of polaron trapping in a chemically doped conducting polymer
Authors: Umar Abdul Rashid , Grieco Christopher
Published: February 2025

Charge conductivity in conducting polymers is typically improved by increasing carrier density via chemical oxidation. However, the resulting electrostatic stabilization of the carriers by the dopant ions, combined with their nanostructural environment, are both known to crucially affect charge trapping. Although the effects of charge–ion electrostatic interactions on carrier trapping have been well-characterized using conventional infrared (IR) spectroscopy, the impacts of the polymer chain ordering and energetic environment are difficult to disentangle. In this study, we examine the limitations of conventional IR absorption spectroscopy and introduce a complementary spectroscopic approach capable of discerning polaron trapping more generally. To do so, we investigated films of poly(3-hexylthiophene-2,5-diyl) (P3HT) chemically doped using four different oxidants, of which each preferentially dopes the amorphous and crystalline (lamellar) phases to varying extents. Using this model system, we observed counterintuitive shifts in the polaron IR absorption band, indicating that IR spectroscopy is a clear reporter of trapping only when the carriers exclusively reside in the lamellar phase and in the absence of bipolarons or coupled polarons. Alternatively, we found that polaron excited state dynamics, probed using ultrafast near-infrared transient absorption spectroscopy, more clearly report on charge trapping. This study demonstrates near-infrared transient absorption spectroscopy as a complementary tool for probing charge trapping in conducting polymers when doping induces carriers in different nanostructural environments.
Highly efficient (31%) of rubidium-based halide perovskite solar cell using SCAPS-1D simulation
Authors: Sakib Nure Alam , Ahammed Rezvi , Tarekuzzaman Md. , Al-Dmour Hmoud , Rasheduzzaman Md. , Sakib Md. Nazmus , Moazzam Hossen M. , Hasan Md. Zahid
Published: February 2025

Perovskite solar cells (PSCs) have emerged as potential substitutes to conventional photovoltaic devices due to their outstanding performance, affordability, and simplicity of construction. This study focuses on optimizing rubidium-based halide perovskite solar cells using numerical simulation tools, specifically SCAPS-1D (Solar Cell Capacitance Simulator), with rubidium germanium bromide (RbGeBr3) as the absorber material. The aim is to improve both efficiency and durability, addressing challenges in creating sustainable and cost-effective photovoltaic technologies. The performance of the proposed solar cell configuration was evaluated by examining various parameters such as the thickness of the absorber, the thickness of the electron transport layer and hole transport layer (HTL), defect densities, temperature, etc. Various hole transport layer materials, including Copper Barium Tin Sulfide (CBTS), Copper Iodide (CuI), PEDOT: PSS, and Spiro-MeOTAD, were analyzed to evaluate their impact on open-circuit voltage, short-circuit current, fill factor, and power conversion efficiency. The findings indicate significant potential for RbGeBr3-based solar cells, with the CBTS HTL yielding the highest efficiency. Among the structures, the ITO/WS2/RbGeBr3/CBTS/Au structure was found to be optimal, achieving a power conversion efficiency of 31.48%, a current density of 26.27 mA/cm2, a voltage of 1.39 V, and a fill factor of 85.76%. This research provides valuable insights for designing and optimizing future perovskite solar cells, contributing to the advancement of renewable and sustainable energy technologies.
Strain-modulated gas sensing properties of As6/Sb6 lateral heterostructures by first-principles calculations
Authors: She Anqi , Pu Shuangshuang , Wang Xiaohua , Wang Dengkui , Fang Dan , Yan Hao , Li Jinhua , Fang Xuan
Published: February 2025

Two-dimensional materials used for gas-sensing can be classified as donors or acceptors based on the different directions of electronic transfer. Meanwhile, external strain, by disrupting the balance of forces between the electrons, significantly impacts the electron transfer process between the material and gas molecules, thereby altering the gas-sensing properties. In this paper, single-layer As6/Sb6 lateral heterojunctions (LHSs) with armchair or zigzag (ZZ) interfaces have been constructed. The NO2 molecule and NH3 molecule are adsorbed on these LHSs, making LHSs act as donors or acceptors, respectively. The adsorption properties before and after applying different types of strain are calculated by first principles. Notably, the compressive strain exacerbates the structural deformation of all LHSs. In addition, the compressive strain promotes the charge transfer for NO2 sensing but hinders the charge transfer for NH3 sensing. The adsorption energy and charge transfer of NO2 adsorbed on As6/Sb6 ZZ-LHSs with compression strain are the largest, indicating the great potential for NO2 sensing. This work lays the foundation for designing and predicting high gas-sensitivity gas sensing materials.
Multiscale pore structure characteristics of deep marine shale and its control on the gas transport mode
Authors: He Shijie , Li Pingping , Jiang Zhenxue , Tang Xianglu
Published: February 2025

Deep marine shale has undergone intricate geological evolution, with pore development at the nanoscale. Consequently, quantifying the impact of the pore structure on gas is challenging. In this paper, the microscopic space structure of deep shale was quantified, and the correlation between the pore structure and the mode of gas transport was established. This study focused on the Silurian Longmaxi Formation shale, using experimental testing and fractal dimension methods to quantify pore characteristics and control factors at multiscale, and establishing the relationship between pore structure and gas transport mechanism. The results indicated that the main lithofacies are organic-rich siliceous shale and organic-rich mixed shale. The preservation of pores by siliceous minerals and high pressure is the key to the high-quality reservoir. Based on gas transport mechanisms, there are five types of gas transport modes: surface adsorption-diffusion, Knudsen diffusion, Fick diffusion, slip flow, and continuous flow. The critical pore size was 1.2, 4.34, 15, and 180 nm, respectively. Compared to shallow shale, the abundance of micropores and mesopores in deep shale is greater, and the contribution of microfractures to shallow shale gas transport is crucial. In conclusion, favorable exploration in targeting organic-rich siliceous shale with low D1 and high D2, as well as organic-rich mixed shale segments with high D1 and high D2. Specifically, within hydrocarbon-rich basins located below 3500 m, it is recommended to search for overpressure regions with weak structural deformation. This research establishes a basis for the exploration and geological principles of deep marine shale.
Pressure-tuned biexciton emission in CH3NH3PbBr3 perovskite quantum dots
Authors: Li Haining , Zhang Haiwa , Zhang Peng , Zhang Guozhao , Shi Han , Wang Qinglin , Li Yinwei , Liu Cailong
Published: February 2025

Pressure-induced evolution of the bandgap, structural phase transitions, and changes in exciton effects can significantly modulate the luminescent properties of lead halide perovskites (LHPs) quantum dots (QDs). Previous studies have indicated that CH3NH3PbBr3 (MAPbBr3) QDs, as a typical low-dimensional LHP material, and their photoluminescence (PL) at ambient conditions are mainly attributed to the radiative recombination of the initially generated excitons upon light absorption and the excitons involving surface states, while the existence of biexciton radiative recombination remains unclear. In this work, we confirm the existence of biexciton radiative recombination in MAPbBr3 QDs at ambient conditions through experimental measurements of excitation-intensity-dependent PL and time-resolved PL (TRPL) spectra at ambient conditions as well as temperature-dependent PL spectra (80–260 K) at ambient pressure. We also establish that the PL of MAPbBr3 QDs primarily originates from the combined effects of three excitons radiative recombination physical processes: biexcitons, initially generated excitons upon light absorption, and excitons involving surface states. Furthermore, through in situ high-pressure PL, absorption, and TRPL spectroscopy measurements, we reveal that the recombination lifetimes and the relative contributions of these three excitons in MAPbBr3 QDs are all subject to alteration in response to the pressure-induced bandgap evolution and the structural phase transitions, thereby modulating their PL emission characteristics.
Multi-response optimization of FSW parameters for Al–Mg–Zn alloys using Box–Behnken design and gray relational analysis and comparative study with ANFIS technique
Authors: Rao T. Venkateswara , Vara Prasad Adina Srinivasa , Sri M. Naga Swapna , Anusha P. , Gupta Deepak , Vijayakumar S. , Pydi Hari Prasadarao , Cheepurupalli Nageswararao
Published: February 2025

In this study, cast Al–Mg–Zn and aging Al–Mg–Zn alloys were joined using the friction stir welding technique, with the welding parameters being the rotational speed of the tool, welding speed, tilt angle, and D/d ratio. The effects of these input parameters on output responses such as ultimate tensile strength, elongation percentage, hardness, and wear rate were investigated using Box–Behnken experimental design. Multi-response optimization was performed using the Box–Behnken Design (BBD) combined with Gray Relational Analysis (GRA). A rotational speed of 1200 rpm, welding speed of 100 mm/min, tilt angle of 1.5°, and D/d ratio of 2.25 were found to significantly enhance the mechanical properties and wear resistance. Furthermore, the Adaptive Neuro-Fuzzy Inference System (ANFIS) model was developed to predict outcomes based on the gray relational coefficient grades, leveraging its architecture to improve prediction accuracy. Finally, a comparative analysis was conducted between the BBD-GRA methods and the ANFIS technique. Results indicated that the ANFIS model was highly effective for predicting output parameters, achieving superior precision and accuracy with fewer iterative calculations. By selecting an appropriate ANFIS structure, the model’s performance is better than that of the BBD-GRA method.
Microlevel structural poverty estimates for southern and eastern Africa
Authors: Tennant Elizabeth , Ru Yating , Sheng Peizan , Matteson David S. , Barrett Christopher B.
Published: February 2025

For many countries in the Global South traditional poverty estimates are available only infrequently and at coarse spatial resolutions, if at all. This limits decision-makers’ and analysts’ ability to target humanitarian and development interventions and makes it difficult to study relationships between poverty and other natural and human phenomena at finer spatial scales. Advances in Earth observation and machine learning-based methods have proven capable of generating more granular estimates of relative asset wealth indices. They have been less successful in predicting the consumption-based poverty measures most commonly used by decision-makers, those tied to national and international poverty lines. For a study area including four countries in southern and eastern Africa, we pilot a two-step approach that combines Earth observation, accessible machine learning methods, and asset-based structural poverty measurement to address this gap. This structural poverty approach to machine learning-based poverty estimation preserves the interpretability and policy-relevance of consumption-based poverty measures, while allowing us to explain 72 to 78% of cluster-level variation in a pooled model and 40 to 54% even when predicting out-of-country.
Deep learning–driven bacterial cytological profiling to determine antimicrobial mechanisms in
Mycobacterium tuberculosis
Authors: Quach Diana , Sharp Marc , Ahmed Sara , Ames Lauren , Bhagwat Amala , Deshpande Aditi , Parish Tanya , Pogliano Joe , Sugie Joseph
Published: February 2025

Tuberculosis (TB), caused by
Mycobacterium tuberculosis
, remains a significant global health threat, affecting an estimated 10.6 million people in 2022. The emergence of multidrug resistant and extensively drug resistant strains necessitates the development of novel and effective drugs. Accelerating the determination of mechanisms of action (MOAs) for these drugs is crucial for advancing TB treatment. This study introduces MycoBCP, a unique adaptation of bacterial cytological profiling (BCP) tailored to
M. tuberculosis
, utilizing the application of convolutional neural networks (CNNs) within BCP to overcome challenges posed by traditional image analysis techniques. Using MycoBCP, we analyzed the morphological effects of various antimicrobial compounds on
M. tuberculosis
, capturing broad patterns rather than relying on precise cell segmentation. This approach circumvented issues such as cell clumping and uneven staining, which are prevalent in
M. tuberculosis
. In a blind test, MycoBCP accurately identified the MOA for 96% of the compounds, with a single misclassification of rifabutin, which was incorrectly categorized as affecting translation rather than transcription. The similar morphologies resulting from transcription and translation inhibition indicate a need for further refinement to distinguish them more effectively. Application of MycoBCP to a series of antitubercular agents successfully identified known MOAs and revealed unique effects, demonstrating its utility in early drug discovery and development. Our findings underscore the potential of CNN-based BCP to enhance the accuracy and efficiency of MOA determination, particularly for challenging pathogens like
M. tuberculosis
. MycoBCP represents a significant advancement in TB drug development, offering a robust and adaptable method for high-throughput screening of antimicrobial compounds.
Top-performing girls are more impactful peer role models than boys, teachers say
Authors: Goulas Sofoklis , Megalokonomou Rigissa , Sotirakopoulos Panagiotis
Published: February 2025

We examine teachers’ perceptions toward top-performing students and their role model influence on others in an online survey-based experiment. We randomly expose teachers to profiles of top-performing students and inquire whether they consider the profiled top performers to be influential role models. These profiles varied by gender and field of study (STEM or Non-STEM). Our findings show that teachers perceive top-performing girls as more influential peer role models compared to top-performing boys (

β
̂

=
0.289

;

P
<
0.001

). We also investigate the qualities teachers perceive top performers who are successful role models to have. We show that teachers associate a greater sense of learning autonomy and sense of being an example with top-performing girls compared to top-performing boys. Estimated effects are more pronounced among teachers with children and teachers in urban areas. Administrative data from a representative sample show limited observed differences between top-performing boys’ and girls’ educational outcomes that could justify the differences in teachers’ gender perceptions. These findings carry significant implications for education, as teachers play a crucial role in the cultivation of positive externalities between students.
Mec1-mediated Atg9 phosphorylation regulates the PAS recruitment of Atg9 vesicles upon energy stress
Authors: Fan Siyu , Dong Shuling , Yao Weijing , Zhang Yi , Fan Mingzhu , Feng Shan , Wu Choufei , Zhang Liqin , Yi Cong
Published: February 2025

Mec1 plays an essential role in both the DNA damage response and glucose starvation–induced autophagy. We recently reported that Mec1 regulates glucose starvation–induced autophagy through its direct binding to Atg13. However, the role of Mec1’s kinase activity in autophagy remains unclear. In this study, we demonstrate that the kinase activity of Mec1 is required for glucose starvation–induced autophagy by regulating the phagophore assembly site (PAS) recruitment of Atg9 vesicles. Mechanistic and functional analyses identified Atg9 as a direct phosphorylation substrate of Mec1, with phosphorylation occurring at the S35, T203, and T243 sites. Mutations at these sites reduce the association of Atg9 with Atg17, Atg23, and Atg27, thereby impairing the PAS recruitment of Atg9 vesicles. Notably, we found that the Mec1–Atg13 binding is a prerequisite for the phosphorylation of Atg9 by Mec1. Furthermore, Mec1-mediated phosphorylation of Atg9 is also crucial for the PAS recruitment of Atg9 vesicles in response to DNA damage. We thus propose that Mec1’s kinase activity regulates the PAS recruitment of Atg9 vesicles by phosphorylating Atg9 in response to energy stress and DNA damage.
Analysis of the Chinese passive/disposal combined-occurrence constructions
Authors: Chen Yue
Published: February 2025

This study uses Bei-Ba constructions as a case study to investigate the Chinese passive/disposal combined-occurrence constructions. By comparing the synchrony and diachrony of the Bei-Ba constructions, it is found that while ancient Bei-Ba constructions have four different types, contemporary Bei-Ba constructions expanded to include a new type (Type III). The reason why Type III Bei-Ba constructions emerged is twofold: the expansion of the scenario in which Bei-Ba constructions reside provides the possibility for the emergence of Type III Bei-Ba constructions; the need for expressing negation leads to the necessity of the emergence of Type III Bei-Ba constructions. Although contemporary Bei-Ba constructions developed a new type, the general tendency of the Bei-Ba constructions is a decrement in both type and token frequency. This process of decrement cannot be avoided by Bei-Ba constructions, because: (1) they are less competitive than similar constructions on the Information Processing Time; (2) their lower frequency further results in their decrement. Theoretically, this study has shed light on the decrement of constructions and uncovered that the two determinants are the principle of economy and frequency.
Simulation data driven time–frequency fusion 1D convolutional neural network with multiscale attention for bearing fault diagnosis
Authors: Chen Yufei , Shi Juanjuan , Hu Jimin , Shen Changqing , Huang Weiguo , Zhu Zhongkui
Published: February 2025

This paper presents a bearing fault diagnosis model based on a simulated data-driven time-domain and frequency-domain feature fusion using a one-dimensional convolutional neural network (1D CNN). The proposed simulation data-driven time–frequency feature fusion 1D CNN multiscale attention (TFF-MSA) model solves the problem of insufficient generalization ability due to the scarcity of experimental data through the simulation data of the dynamic model of bearings, and accurately classifies the bearing faults in a strong noise environment. Traditional 1D CNN-based bearing fault diagnosis models often focused on either time-domain signals or frequency-domain spectra. The proposed model incorporates a parallel 1D CNN structure that simultaneously extracts features from both the time and frequency domains. These multi-domain features are then fused to capture comprehensive information from the bearing vibration signals. Specifically, to enhance the extraction of time-domain features, we introduce the pyramid attention module to mine multiscale features. Meanwhile, in the frequency-domain feature extraction, a specific fault feature frequency weighting method, allowing the proposed model to extract specific fault-related frequencies from the signals, is also proposed. Experimental results demonstrate that the proposed model which is only driven by simulated signals from dynamic model achieves an average diagnostic accuracy of 94%.
Research on TiO2 surface nanomanipulation to improve the thermal insulation performance of polypropylene films
Authors: Wang Chunxin , Xie Jun , Liu Qi , Liu Yaxuan , Xie Qing
Published: February 2025

According to the problems of poor insulation and local temperature rise of polypropylene film, a new nano-filler was studied, and the mechanism of improving insulation and thermal conductivity was analyzed. TiO2 with high dielectric constant is combined with Al2O3 with excellent thermal conductivity in the form of a core–shell structure. TiO2 increases the dielectric constant of polypropylene films, and shell Al2O3 introduces high thermal conductivity and assumes the role of dielectric buffer layer. Compared with pure PP, the breakdown voltage of PP/TiO2 is increased by 6.05%, the thermal diffusivty coefficient is increased by 110.67%, the breakdown voltage of PP/TiO2@Al2O3 is increased by 37.05%, and the thermal diffusivity coefficient is increased by 266.85%. Experimental and simulation results show that TiO2 introduces low-density traps, TiO2@Al2O3 introduces high-density deep traps, and Al2O3 modifies the surface defects of high-dielectric nanoparticles and increases the equivalent interface region. Based on the analysis of the experimental results with different mass fractions, this paper proposes the optimal filling ratio of the new core–shell, which provides a new method for the composite dielectric to improve the insulation and thermal conductivity at the same time.