bluuebunny/crossref_metadata_2025 huggingface dataset:
SMILES-based QSAR and molecular docking studies of chalcone analogues as potential anti-colon cancer
Authors: Askarzade Abolfazl , Ahmadi Shahin , Almasirad Ali
Published: February 2025

QSAR modeling was applied to predict the anti-colon activity (against HT-29) of 193 chalcone derivatives using the Monte Carlo method, based on the index of ideality correlation (IIC) target function. The models were constructed using CORAL software, which employed optimal descriptors combining SMILES notation and hydrogen-suppressed molecular graphs (HSG). Among the developed models, Split #2 was identified as the best-performing model, with R2_validation = 0.90, IIC_validation = 0.81, and Q2_validation = 0.89. The mechanistic interpretation of the models, utilizing enhancing/reducing promoters, demonstrated that the models are capable of accurately predicting the pIC50 values of other chalcone derivatives with high robustness and precision. Based on these promoters, ten new compounds were selected from the ChEMBL database for pIC50 prediction, and molecular docking was performed using the protein with PDB ID:1SA0.
MF59-based lipid nanocarriers for paclitaxel delivery: optimization and anticancer evaluation
Authors: Attar Marzieh , Tash Shamsabadi Fatemeh , Soltani Alireza , Joghataei Mohammad Taghi , khandoozi Seyed Reza , Teimourian Shahram , Shahbazi Majid , Erfani-Moghadam Vahid
Published: February 2025

Breast cancer is the most common invasive cancer in women worldwide, necessitating innovative therapeutic strategies to enhance treatment efficacy and safety. This study focuses on the development and optimization of novel paclitaxel (PTX)-loaded nanostructured lipid carriers (NLCs) that incorporate components of MF59, an oil-in-water emulsion adjuvant approved for use in influenza vaccines and known for its safety in humans. The formulation of these NLCs is designed to overcome significant challenges in PTX delivery, particularly its poor solubility and the side effects associated with traditional formulations containing Cremophor EL. We prepared two sets of NLC formulations using different liquid-to-solid lipid ratios through hot melt ultrasonication. Characterization of the selected formulations, NLCPre and NLCLec, was conducted using dynamic light scattering (DLS), scanning electron microscopy (SEM), Fourier-transform infrared (FT-IR) spectroscopy, and ultraviolet-visible (UV-Vis) spectroscopy. The mean diameters were 120.6 ± 36.4 nm and 112 ± 41.7 nm, with encapsulation efficiencies (EE) of 85% and 82%, and drug loading (DL) of 4.25% and 4.1%, respectively for NLCPre and NLCLec. In vitro cytotoxicity assays demonstrated that these MF59-based NLCs effectively target MCF-7 (Michigan Cancer Foundation) breast cancer cells while minimizing toxicity to normal HDF (human dermal fibroblasts) cells, thus enhancing the therapeutic index of PTX and offering promising clinical implications for breast cancer treatment.
Revealing the molecular interplay of coverage, wettability, and capacitive response at the Pt(111)-water solution interface under bias
Authors: Raffone Federico , Khatib Rémi , Sulpizi Marialore , Cucinotta Clotilde
Published: February 2025

While electrified interfaces are crucial for electrocatalysis and corrosion, their molecular morphology remains largely unknown. Through highly realistic ab initio molecular dynamics simulations of the Pt(111)-water solution interface in reducing conditions, we reveal a deep interconnection among electrode coverage, wettability, capacitive response, and catalytic activity. We identify computationally the experimentally hypothesised states for adsorbed hydrogen on Pt, HUPD and HOPD, revealing their role in governing interfacial water reorientation and hydrogen evolution. The transition between these two H states with increasing potential, induces a shift from a hydrophobic to a hydrophilic interface and correlates with a change in the primary electrode screening mechanism. This results in a slope change in differential capacitance, marking the onset of the experimentally observed peak around the potential of zero charge. Our work produces crucial insights for advancing electrocatalytic energy conversion, developing deep understanding of electrified interfaces.
Perceptual and semantic maps in individual humans share structural features that predict creative abilities
Authors: Seiler Johannes P.-H. , Elpelt Jonas , Ghobadi Aida , Kaschube Matthias , Rumpel Simon
Published: February 2025

Building perceptual and associative links between internal representations is a fundamental neural process, allowing individuals to structure their knowledge about the world and combine it to enable efficient and creative behavior. In this context, the representational similarity between pairs of represented entities is thought to reflect their associative linkage at different levels of sensory processing, ranging from lower-order perceptual levels up to higher-order semantic levels. While recently specific structural features of semantic representational maps were linked with creative abilities of individual humans, it remains unclear if these features are also shared on lower level, perceptual maps. Here, we address this question by presenting 148 human participants with psychophysical scaling tasks, using two sets of independent and qualitatively distinct stimuli, to probe representational map structures in the lower-order auditory and the higher-order semantic domain. We quantify individual representational features with graph-theoretical measures and demonstrate a robust correlation of representational structures in the perceptual auditory and semantic modality. We delineate these shared representational features to predict multiple verbal standard measures of creativity, observing that both, semantic and auditory features, reflect creative abilities. Our findings indicate that the general, modality-overarching representational geometry of an individual is a relevant underpinning of creative thought.
The structure of basal body inner junctions from Tetrahymena revealed by electron cryo-tomography
Authors: Li Sam , Fernandez Jose-Jesus , Ruehle Marisa D , Howard-Till Rachel A , Fabritius Amy , Pearson Chad G , Agard David A , Winey Mark E
Published: February 2025

The cilium is a microtubule-based eukaryotic organelle critical for many cellular functions. Its assembly initiates at a basal body and continues as an axoneme that projects out of the cell to form a functional cilium. This assembly process is tightly regulated. However, our knowledge of the molecular architecture and the mechanism of assembly is limited. By applying cryo-electron tomography, we obtained structures of the inner junction in three regions of the cilium from Tetrahymena: the proximal, the central core of the basal body, and the axoneme. We identified several protein components in the basal body. While a few proteins are distributed throughout the entire length of the organelle, many are restricted to specific regions, forming intricate local interaction networks in the inner junction and bolstering local structural stability. By examining the inner junction in a POC1 knockout mutant, we found the triplet microtubule was destabilized, resulting in a defective structure. Surprisingly, several axoneme-specific components were found to “infiltrate” into the mutant basal body. Our findings provide molecular insight into cilium assembly at the inner junctions, underscoring its precise spatial regulation.
Recent advancements in synthesis of cyclic oligosaccharides
Authors: Endo Hirofumi , Sun Yu-Cong , Sasaki Norihiko , Nokami Toshiki
Published: February 2025

The development of synthetic methods for chemical glycosylation enables the synthesis of various oligosaccharides, including nonnatural cyclic oligosaccharides.
Evolution of Silicate Coordination in Architected Amorphous and Crystalline Magnesium Silicates during Carbon Mineralization
Authors: Gao Xun , Ochonma Prince , Prasad Divya , Mahadik Mahadeo , Kuzmenko Ivan , Ilavsky Jan , Gadikota Greeshma
Published: February 2025

Advancing durable solutions for carbon storage and removal at the gigaton scale to produce solid carbonates via carbon mineralization requires harnessing earth abundant magnesium silicate resources. Calibrated insights linking the...
Gut microbe-skin axis on a chip for reproducing the inflammatory crosstalk
Authors: Ko ByoungHo , Son Jimin , Won Jong-In , Kang Bo Mi , Choi Chong Won , Kim Raehyun , Sung Jong Hwan
Published: February 2025

The gut-skin axis has emerged as a crucial mediator of skin diseases, with mounting evidence highlighting the influence of gut microbiota on skin health. However, investigating these mechanisms has been...
MXene-derived Potassium Titanate Nanoribbons Decorated Electrode Architecture for Detection of Ciprofloxacin: A Multipurpose Sensing Platform Development
Authors: Chakravorty Arghya , Das Sudip , Appu Mini Aarcha , Awasthi Shikha , Pandey Sarvesh Kumar , Raghavan Vimala
Published: February 2025

Recent studies have highlighted the promise of MXene-derived titanate nanoribbons (KTNR) as electrode materials for electrochemical sensing applications. This work investigates the electrochemical activity of potassium titanate nanoribbons synthesized from...
Ultraviolet durable and recyclable radiative cooling covering for efficient building energy savings
Authors: Song Shan Shan , Hou Congyu , Yang An , Wei Lishi , Liu Hongzhi , Xie Di , Song Yongming
Published: February 2025

Passive radiative cooling (PRC) is a zero-energy thermal management technology for efficient building energy savings. The polymer-based porous films are promising PRC materials, but their low ultraviolet (UV) durability and...
Enhanced electrochemical sensing of methyl parathion using AgNPs@IL/GO nanocomposites in aqueous matrices
Authors: Weheabby Saddam , Liu Ziyuan , Pašti Igor A. , Rajić Vladimir , Vidotti Marcio , Kanoun Olfa
Published: February 2025

A high-performance electrochemical sensor for methyl parathion (MP) detection was developed using silver nanoparticles (AgNPs) integrated with graphene oxide/ionic liquid (GO/IL) on a screen-printed electrode (AgNPs@GO/IL@SPCE) for enhanced sensitivity and stability.
The molecular complexity of terpene biosynthesis in red algae: current state and future perspectives
Authors: Peixoto Wanessa Francesconi Stida , Pereira Renato Crespo , Azevedo Esthfanny dos Santos Souza , dos Santos Fernando Martins , Coutinho Ricardo , de Oliveira Louisi Souza
Published: February 2025

In this article, we review the key processes contributing to the chemical diversity of terpenes in red algae. We present knowledge gaps and perspectives for heterologous biosynthesis.
The cytochalasans: potent fungal natural products with application from bench to bedside
Authors: Tammam Mohamed A. , Pereira Florbela , Skellam Elizabeth , Bidula Stefan , Ganesan A. , El-Demerdash Amr
Published: February 2025

Cytochalasans are fungal natural products with diverse structures and biomedical potential. This review explores their diversity, biosynthesis, pharmacokinetics, drug-likeness, and therapeutic potential.
Alkyne dichotomy and hydrogen migration in binuclear cyclopentadienylmetal alkyne complexes
Authors: Li Huidong , Luo Jinfeng , Chen Haoyu , Lu Ruilin , Hu Yucheng , Wang Huijie , Wang Yanshu , Fan Qunchao , King R. Bruce , Schaefer Henry F.
Published: February 2025

Low-energy (Me2N)2C2M2(C5H5)2 (M = Ni, Co, Fe) structures have central Mn2C2 tetrahedrane units or separate bridging Me2NC carbyne units. However, low-energy (Me2NC2Me)M2(C5H5)2 and Me2C2M2(C5H5)2 structures exhibit hydrogen migration from the methyl substituent.
Unlocking the Reactivity of the C-In Bond: Alkyl Indium Reagents as a Source of Radicals Under Photocatalytic Conditions
Authors: Gladkov Anton , Levin Vitalij V. , Cheboksarov Demian , Dilman Alexander
Published: February 2025

Generation of organic radicals from organometallic compounds is a key step in metallaphotoredox cross-coupling reactions. The ability of organoindium compounds to serve as sources of alkyl radicals under light promoted...
Reinforcement learning selects multimodal locomotion strategies for bioinspired microswimmers
Authors: Liu Yangzhe , Wang Zhao , Tsang Alan Cheng Hou
Published: February 2025

Natural microswimmers exhibit multimodal locomotion strategies to achieve versatile navigation tasks such as finding nutrient sources, avoiding danger and migrating to new habitats. These multimodal locomotion strategies typically involve complex...
The importance of shape: flakes and spheres in recyclable conductive pastes for printed electronics
Authors: van Impelen David , Perius Dominik , González-García Lola , Kraus Tobias
Published: February 2025

Weakly sintered flakes have a higher recycling yield than spheres due to a higher sintered porosity of the printed structures.
A medium-entropy garnet-type oxide as a solid electrolyte with enhanced air stability for Li-ion batteries
Authors: Kuo Chun-Han , Huang Po-Yen , Wang Ai-Yin , Liu Hao-Yu , Cheng Hsu-Chen , Lee Chih-Heng , Hsing Cheng-Rong , Chen Shu-Yu , Yeh Chien-Hao , Chen Hsiang-Jung , Chen Huaican , Yin Wen , Wu Jianyuan , Pao Chih-Wen , Kan Wang Hay , Chen Hsin-Yi Tiffany , Chen Han-Yi
Published: February 2025

A novel medium-entropy garnet Li6.5La3Zr0.5Ta0.5Nb0.5Y0.5O12 (LLZTNYO) was synthesized via a solid-phase method. LLZTNYO exhibited high Li-ion conductivity (1.87 × 10−4 S cm−1 ) and maintained for 30 days in an air without decay.
The effect of lithium content on the discharge and electrochemical performance of Mg–Li–Zn–Y alloys for primary Mg–air batteries
Authors: Cheng Xu , Sun Beibei , Wei Tingting , Dong Jiemin , Cao Xin , Zhang Jiaxin , Zhang Yanhua , Wang Tao , Liu Yanhui , Zhong Feng , Liang Ming , Li Jianfeng
Published: February 2025

In this work, the microstructure, corrosion resistance, and discharge performance of two hot-extruded Mg alloys with different lithium contents were thoroughly investigated.
La2(CN2)3 – the missing link of rare-earth carbodiimides, prepared through an efficient synthetic route and its Ce3+ activated photoluminescence
Authors: Schneiderhan Philipp , Bayat Elaheh , Ströbele Markus , Enseling David , Jüstel Thomas , Meyer H.-Jürgen
Published: February 2025

The characterization of La2(CN2)3 and the luminescence of La2(CN2)3:Ce3+ are reported. This finding completes the series of rare-earth carbodiimdes with three distinct crystal structures and coordination numbers of cations.
Steric hindrance of phenanthroline diamides permits to reach a hundredfold increase of Am(III) extraction efficiency
Authors: Avagyan Nane , Zonov Roman , Lemport Pavel S. , Evsiunina Mariia V. , Matveev Petr I. , Roznyatovsky Vitaly Alexandrovich , Averin Alexei , Kalle Paulina , Tafeenko Viktor , Soloveva Svetlana , Nelyubina Yulia V. , Petrov Vladimir G. , Ustynyuk Yuri , Nenajdenko Valentine
Published: February 2025

Three novel 1,10-phenanthroline-2,9-dicarboxamides (DAPhen) were prepared and investigated in detail. The presence of alkyl groups in ortho-positions of aryl substituent in the ligand amide functions results in completely inhibited rotation...
Comparative Study of Bimetallic Cu/Co MOF Synthesis Strategies and Their Electrochemical Features
Authors: Tamtam Mohan Rao , Wang Rui , Koutavarapu Ravindranadh , Choi Gyu Sang , Shim Jaesool , To Hoai Nguyen , Nam Nguyen Dang
Published: February 2025

In this work, three distinct synthetic procedures—step-by-step (CC-1), single-step (CC-2), and simple mixing (CC-3)—were utilized to investigate their effects on the formation of heterostructures in bimetallic Cu/Co-MOFs. The resulting MOF...
Correction: Construction of an autocatalytic reaction cycle in neutral medium for synthesis of life-sustaining sugars
Authors: Tabata Hiro , Chikatani Genta , Nishijima Hiroaki , Harada Takashi , Miyake Rika , Kato Souichiro , Igarashi Kensuke , Mukouyama Yoshiharu , Shirai Soichi , Waki Minoru , Hase Yoko , Nakanishi Shuji
Published: February 2025

Correction for ‘Construction of an autocatalytic reaction cycle in neutral medium for synthesis of life-sustaining sugars’ by Hiro Tabata et al., Chem. Sci., 2023, 14, 13475–13484, https://doi.org/10.1039/D3SC03377E.
Helical pitch and thickness-dependent opto-mechanical response in cholesteric liquid crystal elastomers
Authors: Phillips Alexis T. , Hoang Jonathan D. , White Timothy J.
Published: February 2025

The optomechanical response of CLCE is dependent on the number of helical rotations within the optical axis.
Bacterial cellulose/reduced graphene oxide bilayer films for moist-electric power generation
Authors: Li Xinye , Zhang Rui , Ai Xin , Tang Ping , Wang Hai , Bin Yuezhen
Published: February 2025

The moist-electric working mechanism and high-power output of a bacterial cellulose/reduced graphene oxide bilayer film.
Computer-Delivered Morphology-Focused Vocabulary Instruction: A Pilot Study
Authors: Wood Carla , Torres-Chavarro Michelle , Tibi Sana , Schatschneider Christopher , Ke Fengfeng
Published: February 2025

Purpose:

This study aimed to examine the effects of a computer-delivered morphology instruction on morphological knowledge (MK) of students in third grade and test whether the treatment had similar effects across students who differed in their initial MK performance.

Method:

We employed a randomized trial with randomization blocked within classrooms. Students (
N
= 263) in 14 third-grade classrooms in three schools were randomly assigned to a 6-week treatment or a wait-list comparison group that received business-as-usual instruction. The modules provided explicit instruction on derivational morphemes, roots and bases, and the meanings of derived words. Students assigned to treatment received individual log-ins to access the online program within their classrooms at least 3 times a week for 15–20 min per session. MK outcomes based on the Morphological Awareness Test for Reading and Spelling were assessed at the student level, using a gain score multilevel model approach to examine treatment effects.

Results:

The treatment had significant positive effects on MK skills for students in the treatment condition with an effect size of 0.33 for affix identification and 0.24 for suffix choice. Students with low MK performance at pretest demonstrated similar gains from the treatment as students who were high performing at the onset of the study.

Conclusions:

Computer-delivered supplemental instruction that includes explicit instruction on derivational morphology is associated with positive effects on students' MK. This finding has practical implications for minimizing the burden on teachers for implementation and enhancing language and literacy outcomes of students.

Supplemental Material:

https://doi.org/10.23641/asha.28439768
Sun-as-a-star analysis of simulated solar flares
Authors: Yu H. C. , Hong J. , Ding M. D.
Published: February 2025

Context. Stellar flares have an impact on habitable planets. To relate the observations of the Sun with those of stars, one needs to use a Sun-as-a-star analysis, that is, to degrade the resolution of the Sun to a single point. With the data of the Sun-as-a-star observations, a simulation of solar flares is required to provide a systemic clue for the Sun-as-a-star study.

Aims. We aim to explore how the Sun-as-a-star spectrum varies with the flare magnitude and location based on a grid of solar flare models.

Methods. Using 1D radiative hydrodynamics modeling and multi-thread flare assumption, we obtained the spectrum of a typical flare with an enhancement of chromospheric lines.

Results. The Sun-as-a-star spectrum of the Hα line shows enhanced and shifted components, which are highly dependent on the flare magnitude and location. The equivalent width ΔEW is a good indicator of energy release. The bisector method can be used to diagnose the sign of the line-of-sight velocity in the flaring atmosphere. For both Hα and Hβ lines, the Sun-as-a-star spectrum of a limb flare tends to be wider and shows a dip in the line center. In particular, we propose two quantities to diagnose the magnitude and location of the stellar flares. Besides this, caution must be taken when calculating the radiation energy, since the astrophysical flux-to-energy conversion ratio is dependent on the flare location.
A Layered Approach For Improved Cloud Storage Security And Protection Of Access Policy
Authors: Venkata Rama Lakshmi Gundala , Radha Marepalli , Sandhya G. , Ambika K. , Durga Bhavani T.
Published: February 2025

Information technology provides a service called cloud computing, which offers many beneficial functions. But there are a lot of problems and drawbacks with cloud computing, the most significant of which is the uncertainty and possible danger presented by the privacy and security restrictions. According to reports, there are reportedly fewer real-time cloud apps made exclusively for businesses than there are for consumers. This is allegedly due to concerns about security. When dealing with suppliers that have a questionable reputation, it is essential to ensure that the cloud management and service provider rigorously adheres to the highest standards of security and privacy. This study recommends enhancing the security protocols for sensitive data in cloud computing by using multi-layer encryption methods. The security and privacy of data kept on a cloud server may be greatly improved by using the layer-wise encryption technique. As a consequence, there is an improvement in security for both the cloud provider and the data owner. Users are essentially prevented from accessing the data by this encryption method unless the data owner specifically grants permission. The advanced encryption standard (AES) symmetric encryption method and the Rivest-Shamir Adleman (RSA) asymmetric encryption method are among the suggested approaches. Users who want to receive messages in the symmetric encryption process must exchange a special, unique key. On the other hand, asymmetric encryption encrypts and decrypts communications as they are being sent using both a private key and a public key. Then, a viability analysis is carried out for the two encryption algorithms previously mentioned, which are responsible for protecting the confidentiality and integrity of the data related to the other techniques.
Design And Development of Dimension Based Automatic Product Sorting System Using Image Processing Technology
Authors: Juliet A. Vimala , Swapna N. , Naidu B. Appala , Kinnara Bhavani
Published: February 2025

This research presents a novel automated product sorting system tailored for industrial applications, utilizing image processing technology, pneumatic actuators, and a Raspberry Pi platform. In contrast to traditional sorting methods, this approach focuses on classifying products based on their dimensions specifically length and width into small and large categories. A high-resolution camera (12 MP) captures the product images, which are processed using advanced image processing algorithms, achieving dimension measurements with an accuracy of 0.1 cm for small products and 0.2 cm for large products. The integration of image processing with pneumatic mechanisms ensures precise and efficient sorting, overcoming the limitations of existing systems. The system’s performance is further optimized with a sorting time of approximately 1.5 seconds per product. This innovative solution provides a scalable and adaptable framework for industries requiring reliable, dimension-specific product classification, offering improvements in both operational efficiency and cost-effectiveness.
Dynamic Graph-Based Clustering for Non-Stationary Spatio-Temporal Event Prediction
Authors: Vasavi M. , Murugan A. , Sharma K. Venkatesh
Published: February 2025

Cascading spatial temporal pattern mining is the process of getting event as a partial order set of getting space and time in one order pair. The order pairs are disjoint and unique with location constraint. In this article the crime data set and represented the ordered pairs as nodes. The event that occurred next is taken as edge from one node to another node. Graph terminology as homogeneous and heterogeneous with kinds of problems are solved. Representation of Graph gives us the crime data analysis with location wise and helps us to predict the next occurrence instance. An alternate way of modeling the objects in data sets is to represent those using graphs. Frequent pattern discovery of events and occurrence is by sub graphs from entire data sets. Experiment with data events points and occurrence evaluation of the performance of a pattern using data sets.
Empowering Software Development with Machine Learning
Authors: Sateesh Nayani , Suryanarayana S.V. , Rani Rella Usha , Sunanda S.
Published: February 2025

Machine learning (ML) has emerged as a transformative technology across various domains, including software development. This paper delves into the significant roles ML plays in enhancing and optimizing the software development lifecycle (SDLC). By integrating ML into different phases of software development—requirements analysis, design, coding, testing, and maintenance—developers can achieve higher efficiency, better quality, and more innovative solutions. This paper provides a comprehensive review of current trends, applications, challenges, and future directions of ML in software development.
Comprehensive Analysis of Energy Demand Prediction Using Advanced Machine Learning Techniques
Authors: Manohar V. Joshi , Murthy Gagan , Royal Nayani Poornachandan , Binu Basil , Patil Tejaswini
Published: February 2025

Energy prediction plays a critical role in maximizing energy usage, reducing costs, and improving the effectiveness of power systems. Machine learning (ML) techniques are increasingly potent for analyzing intricate patterns in energy consumption and providing precise forecasts—both crucial for effective energy management. This study examines the application of ML in forecasting energy usage, focusing on two techniques: Long Short-Term Memory (LSTM) and Support Vector Machines (SVM). LSTM models, known for their ability to capture complex patterns, are evaluated for time-series energy data prediction. SVM, a supervised learning algorithm, is analyzed for its performance in energy forecasting under varying data conditions. The study compares the predictive accuracy, computational efficiency, and generalization capabilities of these models using metrics like R2, RMSE, and MAE. Results indicate that LSTM excels with large datasets and non-linear patterns, while SVM is effective for smaller datasets with sensitivity to outliers. This analysis provides insights into selecting appropriate models for specific data characteristics and prediction requirements.
Comparative Study of Regenerative Braking Impact on Various Battery Technologies for Electric Vehicles Using MATLAB Simulations
Authors: N Bhoopal , Jayasai Bhaskar , Chary Shivaram , Swarupa M. Lakshmi , Krishnaveni B.
Published: February 2025

The integration of regenerative braking systems in electric vehicles (EVs) has become a focal point in the pursuit of enhancing energy efficiency and sustainability. This paper presents a comprehensive MATLAB simulation study that investigates the impact of regenerative braking on the performance and lifespan of four distinct battery technologies: Lithium-Ion, Lead-Acid, Nickel-Cadmium, and Nickel-Metal-Hydride and guides which battery best for EV application. The simulation framework employs realistic driving scenarios to emulate the dynamic conditions encountered by EVs in everyday usage. Through a systematic analysis, we evaluate the effectiveness of regenerative braking in terms of energy recovery and its influence on the charging and discharging characteristics of each battery type. The results of the simulation are presented, providing valuable insights into the comparative performance of the different battery chemistries under the influence of regenerative braking and at different weather conditions.
Electric Cargo Tricycle-A New Mobility
Authors: Mastanamma Y. , Laxman B. , Babu J. Ramesh , Nireekshan N. , Saidulu E.
Published: February 2025

An electric cargo tricycle combines electric assistance with a cargo-carrying design to enhance load-carrying capability and sustainability for short-distance transport. An efficient replacement such as Electric Cargo Tricycle (ECT) will definitely reduce the dependency on conventional automobiles. This design presents an electric cargo tricycle intended for urban logistics, with emphasis on efficiency, maneuverability, and environmental sustainability. The tricycle incorporates an electric motor to assist pedal power, enhancing ease of use and reducing physical strain for users over various terrains. Equipped with a sturdy cargo compartment, it supports the transport of heavy loads up to 250 kilograms. The ECT consists of an electric motor, controller, battery, a drive system and steering controls, and a power supply. This can be used for carrying loads such as E-logistics products and Garbage. A three-wheel configuration offers improved balance and stability, compared to two-wheeled cargo bikes. The two wheels at the rear provide enhanced support for cargo weight, while the single front wheel allows for precise steering. It includes both pedal-assist and throttle options to suit different user preferences. This cargo vehicle can also be used in Industrial purposes for carrying goods and equipment’s within the industry. The tricycle features an LCD display mounted on the handlebars, displaying battery level, speed.
Protection and Monitoring of Smart Grids with IoT
Authors: Rao Ganney Poornachandra , Krishna Puvvula Venkata Rama , Adithya K. Sai , Avinash B. Sai
Published: February 2025

In recent years, the demand for electricity has peaked due to the increase in the number of electrical devices, gadgets, and industrial appliances. This sudden change in load causes load shedding problems due to unpredictability and lack of real-time monitoring, which may be resolved in IoT. In this paper, IoT is incorporated for monitoring parameters in the electrical grid and overcurrent and undervoltage protection. The distribution load parameters can be monitored through the IoT using current and voltage sensors. Protection is done using relays. The smart grid is one of the aspects of the smart city model, which includes energy consumption monitoring and protection systems via IoT. A user can monitor energy consumption in watts via a webpage by entering a channel ID for the load. The Wi-Fi unit performs IoT operations by providing load energy data to a webpage that can be viewed using any Android mobile device’s channel ID.
Enhanced control approach for air pressure regulation in supply manifold of PEM fuel cell
Authors: Kashyap A. Adithya , Chiluka Suresh Kumar , Goud Ediga Chandramohan , Chandra K. Vijay , Amjad Shaik
Published: February 2025

The paper aims to design of effective control strategy for regulation and control of supply mainfold pressure to the Proton Exchange Membrane (PEM) fuel cell cathode electrode using Smith Predictor control structure. A fractional/non-integer filter cascaded with a fractional order Proportional Integral (FOPI) is suggested for the enhanced implementation of PEM fuel cell by controlling the supply manifold pressure. The system performance under nominal and perturbed conditions is analyzed by using error indices i.e. Integral Absolute Error (IAE), Integral Square Error (ISE) and Total Variance. From the process response and performance indices, it is evident that the suggested method offers enhanced setpoint tracking and disturbance rejection. Simulation studies are carried out in MATLAB software.
Calculation of electric field and magnetic field in a 245 kV GIS
Authors: Venkatesh Vavilala , Rao K. Srinibas , J.V.G. Rama Rao
Published: February 2025

In India, the implementation of Gas Insulated Substation (GIS) has been accelerated for two decades. In the case of GIS, the electric and magnetic field estimation is very important because of the shorter distances of bus bars and line sections. Several others have given the estimation of electric and magnetic fields by solving nonlinear differential equations using numerical techniques. In this paper, the advanced simulation tools ELECNET and MAGNET have been used to estimate these fields. A typical 245k V GIS is considered for Modeling and simulation. The four important locations, XLPE cable termination, gas-to-air bushing, bus link, and current transformer (CT) position, have been considered. The resultant fields were obtained. These values are compared with Electric and Magnetic field measurements at the same substation. For these measurements, a Gauss meter and an E-field meter were used. These meters are calibrated per IEEE 644-1994 and IEEE 644-2019. The measured values are in good agreement with the simulation results. Hence, the triangular grid model and Modeling are dependable for further simulations. The results show that the bus link and CT position fields are higher than those of other locations.
Optimizing Pressure Regulation for Energy Efficiency in Pneumatic Transport Systems for Sustainable Industrial Practices
Authors: Ergashev Jamoliddin , Sharipov Khayrullo , Khoziev Mukhsiddin
Published: February 2025

To maximize the effectiveness and dependability of material conveyance systems, this research explores the differential management of pressure variations in pneumatic transport systems and machinery. Cotton and other materials are moved through pipes using pneumatic transport, which relies on a regulated air flow. Pressure control is important to ensuring a reliable and efficient transport process. The research looks at a number of techniques for managing pressure changes, including system feedback mechanisms, valve adjustments, and changes to the airflow rate. A thorough study of pressure regulation strategies addresses important issues such as saving system stability, reducing energy usage, and avoiding material obstructions. Experimental data is used to show the impact of different pressure control strategies on the performance of pneumatic transport systems and machinery, providing insights into achieving optimal pressure differentials for enhanced system efficiency and reduced operational expenses. This research contributes to advancing the understanding and implementation of pressure regulation in pneumatic transport systems, with potential applications in industries such as cotton material handling and automated manufacturing
Effects of the RF bias power of ICP etching on the electrical properties of n-type Ohmic contact on high-Al-fraction AlGaN
Authors: Guo X. Q. , Xu F. J. , Lang J. , Wang J. M. , Zhang L. S. , Ji C. , Ji C. Z. , Zhang Z. Y. , Tan F. Y. , Wu Y. , Kang X. N. , Yang X. L. , Tang N. , Wang X. Q. , Ge W. K. , Shen B.
Published: February 2025

The effects of the radio frequency (RF) bias power of inductively coupled plasma etching on the electrical properties of n-type Ohmic contact have been investigated. By reducing the RF bias power, a high-quality n-type Ohmic contact has been achieved on n-Al0.70Ga0.30N, with a specific contact resistivity of 1.2 × 10−4 Ω cm2. It is confirmed that low-power etching introduces fewer acceptor-state defects on the etched surface, which not only reduces the compensation for electrons but also reduces the degree of oxidation on the etched surface, providing favorable conditions for improving the electrical properties of metal–semiconductor contacts.
Plasmonic properties of gold nanoparticle arrays fabricated using a sequential dewetting process
Authors: Farmer Gavin , Shymkiv Dmitrii , Krokhin Arkadii , Littler Chris , Syllaios A. J. , Philipose Usha
Published: February 2025

A scalable, cost-effective technique to fabricate ordered gold nanoparticle arrays with fine control over nanoparticle size and interparticle distance is presented. The array is grown in the pores of an anodic aluminum oxide membrane by the solid-state dewetting process. Control over the nanoparticle size and spacing between particles was achieved by sequential metal deposition and annealing processes, yielding nanoparticles with diameters (D) ranging from 50 to 70 nm and corresponding interparticle distances ranging from 12 to 30 nm. The advantage of this technique is that the nanoparticle size, spherical shape, and hexagonal close-packed ordering of the array can be precisely controlled, allowing for fine tuning of the plasmonic absorption properties. The important parameters that determine the size, shape, and distribution of nanoparticles in the array are the template morphology (dimple geometry) and the thickness of the evaporated metal layer. Above a certain critical film thickness, the nanoparticles coalesce to form nano-islands. The significance of this work is that it provides a reliable technique to assemble metal nanoparticles into high density arrays, with good control over particle shape and distribution. Such arrays can be used to generate highly concentrated electromagnetic fields for plasmonic sensor applications.
Efficient quantum frequency conversion of ultra-violet single photons from a trapped ytterbium ion
Authors: Yu Seungwoo , Lee Kyungmin , Park Sumin , Kim Kyunghye , Goo Junhong , Park Jeonghyun , Kim Taehyun
Published: February 2025

Ion trap system is a leading candidate for quantum information science benefitting from its long coherence time, high-fidelity gate operations. In addition, the ion photon entanglement provides a versatile tool to realize quantum networks by generating an ideal pair of a stationary memory qubit and a flying communication qubit. Rapid developments in nonlinear quantum frequency conversion techniques have enhanced the potential for constructing a trapped ion quantum network via optical fiber connections. The generation of long-distance entanglement has been demonstrated with ions such as Ca+ and Ba+, which emit photons in visible or near-infrared range naturally. On the other hand, as the qubit-native photons reside in ultra-violet (UV) spectrum, the Yb+ ion has not been considered as a strong competitor for telecommunication qubits despite extensive research on it. Here, we demonstrate an efficient difference-frequency conversion of UV photons, emitted from a trapped Yb+ ion, into a visible range. We provide experimental evidence that confirms the converted photons are radiated from the Yb+ ion. Our results provide a crucial step toward realizing a long-distance trapped ion quantum network based on Yb+ ions through quantum frequency conversion.
Density fluctuations, solvation thermodynamics, and coexistence curves in grand canonical molecular dynamics simulations
Authors: Sevilla Mauricio , Baptista Luis A. , Kremer Kurt , Cortes-Huerto Robinson
Published: February 2025

Fluid transport across nanometric channels induced by electric, pressure, and concentration gradients is ubiquitous in biological systems and fosters various applications. In this context, computer simulation setups with well-defined open-boundary equilibrium starting states are essential in understanding and assisting experimental studies. However, open-boundary computational methods are scarce and do not typically satisfy all the equilibrium conditions imposed by reality. Namely, in the absence of external gradients, (1) the system of interest (SoI) must be at thermodynamic and chemical equilibrium with an infinite reservoir of particles; (2) the fluctuations of the SoI in equilibrium should sample the grand canonical ensemble; (3) the local solvation thermodynamics, which is extremely sensitive to finite-size effects due to solvent depletion, should be correctly described. This point is particularly relevant for out-of-equilibrium systems; and (4) finally, the method should be robust enough to deal with phase transitions and coexistence conditions in the SoI. In this study, we demonstrate with prototypical liquid systems embedded into a reservoir of ideal gas particles that the adaptive resolution simulation (AdResS) method, coupled with particle insertion/deletion steps (AdResS+PI), satisfies all these requirements. Therefore, the AdResS+PI setup is suitable for performing grand canonical and stationary non-equilibrium simulations of open systems.
Electric field-induced domain structures in ferroelectric AlScN thin films
Authors: Wolff Niklas , Grieb Tim , Schönweger Georg , Krause Florian F. , Streicher Isabel , Leone Stefano , Rosenauer Andreas , Fichtner Simon , Kienle Lorenz
Published: February 2025

The analog switching properties of wurtzite-type ferroelectrics hold unforeseen potential for future-generation electronic devices, such as neuromorphic memory concepts based on memristive devices. However, investigative studies expanding our detailed knowledge on the physical properties of the ferroelectric domain walls and the modulation of large-scale domain patterns are still very limited. Up to date, the exact atomic configuration of the electric field-induced domain walls has not been identified due to its inclined and wedge-shaped three-dimensional nature. With this contribution, we provide direct experimental evidence on the atomic configuration of electric field-induced vertical inversion domain walls in ferroelectric Al0.85Sc0.15N thin films using advanced scanning transmission electron microscopy techniques. Despite their overall inclined character, the structure of vertical inversion domain walls can be atomically sharp and exhibit laterally facing metal(M)- and nitrogen(N)-polar dimers consistent with low-energy configurations predicted for the Al1−xScxN system. Although nanoscale regions with extended superposition structures are examined, this observation makes it rather unlikely that domain walls in the investigated system are necessarily stabilized by nonpolar supercells. Moreover, by the examination of electric field dependent domain patterns, we evidence the surprising stabilization of N-polar spike domains at the top electrode interface after electrical backswitching to the M-polar state and observed forward growth in the film volume from these residual domains. These results strengthen recent advancements on the realization of memristive devices given the possibility to modulate the density of charged domain walls enabling multi-bit memory operations.
N-doped MoS2 nanoflowers for the ultrasonic-vibration-driven high piezoelectric catalytic degradation
Authors: Kong Dezheng , Wu Rong , Chen Yutong , Yue Jianyong , Zhang Chen
Published: February 2025

In this study, N-doped few-layer MoS2 piezocatalysts were successfully prepared by a one-pot hydrothermal method with urea as a nitrogen source. Benefiting from the optimized proportion of minority layers at edge positions and higher conductivity by N doping, the optimal N-doped few-layer MoS2 (120 mg of added urea) sample showed the optimal piezocatalytic activity for Rhodamine B (RhB) and levofloxacin (LEV), reaching 84.6 and 73.1% with the reaction kinetic rate constant of 0.020 86 and 0.017 05 min−1, respectively. In addition, the generation of superoxide radicals (·O2−) from the 120-MoS2 sample was determined to be greater than that from the 0-MoS2 sample in the piezocatalyst process by free radical scavenging experiments and electron paramagnetic resonance tests. Based on experimental data, a potential mechanism has been proposed to explain the enhanced piezocatalyst performance of N-doped few-layer MoS2. This research sheds new light on the development of efficient, cost-effective MoS2 piezoelectric catalysts through the doping of non-metallic dopants.
Effects of amino-acid functionalization and pH value on temperature-dependent water dynamics in silica confinement
Authors: Steinrücken Elisa , Diehl Lukas , Wissel Till , Buntkowsky Gerd , Varol H. Samet , Andrieu-Brunsen Annette , Vogel Michael
Published: February 2025

2H nuclear magnetic resonance (NMR) field-cycling relaxometry and broadband dielectric spectroscopy (BDS) studies show that water dynamics in silica pores with similar diameters (∼6 nm) strongly depend on the functionalization of the inner surfaces. In all studied confinements, we observe two prominent changes in the temperature dependence of water reorientation. Specifically, the activation energy of Ea ∼ 0.3 eV in the fully liquid state more than triples to Ea ∼ 1.0 eV upon partial crystallization at Tm ∼ 258 K. Furthermore, in the partially crystallized state, the liquid fraction shows a dynamical crossover at ∼185 K, where the common low-temperature behavior of confined water with Ea = 0.4–0.5 eV is established. However, the correlation times of water reorientation are up to two orders of magnitude longer in amino-acid functionalized silica pores than in pristine ones. Comparing the results for different functional groups, NMR and BDS consistently show that the slowdown is strongest for basic lysine followed by neutral alanine and, finally, acidic glutamic acid. Based on this order, one may speculate that the changed dynamics are a consequence of different pH values of water in confinements with different functional groups. Although pH measurements confirm that the pH value strongly depends on the amino-acid functionalization, this speculation must be rejected due to the observation that water with very different pH values does not show diverse reorientation dynamics when enclosed in identical pores.
Electro-mechanical-carrier coupling behaviors of piezoelectric semiconductor fibers with p–n junctions under pull-out loading
Authors: Ren Cai , Liu Chao , Wang Kaifa , Wang Baolin
Published: February 2025

Due to their unique properties between carrier redistribution and built-in electric potential induced by external stress, piezoelectric semiconductor (PS) fibers are widely used in intelligent structures. In this paper, electromechanical coupling behaviors of PN junctions in segmented PS fiber under pull-out loading are analytically investigated. Based on the shear-lag model, the stress transfer relationship between the PS fiber and the elastic matrix is established. Closed form solutions of fiber axial stress, interfacial shear stress, electric potential, electric field, and carrier perturbation are obtained. Results show that the initial carrier concentration has a significant influence on the electromechanical coupling behaviors of segmented PS fibers compared with single homogeneous fiber. The interfacial properties of PN homojunction and heterojunction are sensitive to the concentrations of carrier doping. Besides initial doping concentration, the relevant electromechanical coupling fields can be regulated by radius ratio and external stress as well. On the basis of the linearized model, the effect of pull-out stress on the I–V curve plots under small forward-biased voltage has been investigated as well. The fundamental research will be helpful in understanding the physical mechanism of carrier regulation in PN junction fiber composites and guide for designing segmented devices in practical applications.
Hidden asymmetry in one-dimensional alignment of chiral molecules
Authors: Suzuki Yoshi-Ichi
Published: February 2025

We studied the inversion symmetry of an ensemble of chiral molecules. We clarified that for rigid molecules aligned by dipole transitions, the positions of any two atoms depend on the molecular chirality, owing to the parity-odd second-rank tensors. This type of asymmetry, hidden in the so-called one-dimensional alignment, such as cos2θ, can be understood on the basis of the equivalence of inversion and rotation for any two points in space. Perfect chiral sensitivity is achieved when the transition dipole moment is 45° to an axis perpendicular to both position vectors of the two atoms. The positions of two specific atoms are calculated for a chiral isotopomer and methyloxirane using the spherical harmonic addition theorem. We discuss the absolute configuration and the orientation of chiral molecules.