Article
Multidisciplinary Sciences
C. A. Brackley, A. Lips, A. Morozov, W. C. K. Poon, D. Marenduzzo
Summary: Research using simulations has uncovered the mechanism behind the inactivation of viruses as they approach an air-water interface, showing that the electrostatic repulsive free energy is a key factor. Understanding this interaction between viruses and surfaces could help in designing effective strategies for surface disinfection.
NATURE COMMUNICATIONS
(2021)
Article
Energy & Fuels
Ali Rasoolzadeh, Ali Bakhtyari, Khayyam Mehrabi, Jafar Javanmardi, Khashayar Nasrifar, Amir H. Mohammadi
Summary: This study presents a new method for calculating water activity in gas hydrate systems using the van der Waals-Platteeuw model. The model incorporates both short-range and long-range interactions and has been tested against a comprehensive database, showing excellent performance. It is capable of accurately predicting gas hydrate dissociation temperatures in complex systems.
Article
Thermodynamics
Ali Imran, Muhammad Asif Zahoor Raja, Muhammad Shoaib, Muhammad Zeb, Kottakkaran Sooppy Nisar
Summary: A novel theoretical model is proposed for the electro osmotic flow of a Williamson fluid model in a micro ciliated channel, taking into account heat transfer phenomena. The Poisson-Boltzmann equation is solved analytically to obtain expressions for the axial velocity, pressure gradient, temperature, and stream functions using a perturbation technique, while the transverse velocity and pressure rise profile are investigated numerically using MATHEMATICA software. The effects of various parameters on velocity distribution, temperature, pressure gradient, and pressure rise per wavelength are presented graphically. Additionally, cilia are found to play an important role in ductus efferentes, sperm transportation, and various drug delivery mechanisms.
CASE STUDIES IN THERMAL ENGINEERING
(2023)
Article
Engineering, Chemical
Pedro Velho, Patricia F. Requejo, Elena Gomez, Eugenia A. Macedo
Summary: In this study, three Aqueous Two-Phase Systems (ATPS) involving ethyl lactate and inorganic salts were investigated. Experimental binodal data was successfully fitted using various empirical equations, with the first model showing smaller deviations. The modeled tie lines were very similar to experimental results, suggesting that long-range forces in systems with strong salts should be considered.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Thermodynamics
Khurram Javid, Mazhar Ellahi, Kamel Al-Khaled, Mohsin Raza, Sami Ullah Khan, M. Ijaz Khan, Essam Roshdy El-Zahar, Soumaya Gouadria, Muhammad Afzaal, M. Imran Khan
Summary: This study models the physical impacts of porosity and thermal slip on the flow features of nanofluid through an asymmetric micro-channel, considering the effects of electro-osmosis and magnetic field. Convective boundary conditions are used while neglecting thermal and buoyancy forces. The rheological equations are transformed into non-dimensional flow systems using scaling variables. The study evaluates the exact solutions of these equations using Mathematica software 11.0, and presents the graphical representation of the dynamic impacts of embedded parameters. The findings provide valuable insights into biomimetic energy frameworks and serve as a benchmark for numerical and experimental multi-physics simulations.
CASE STUDIES IN THERMAL ENGINEERING
(2022)
Article
Chemistry, Physical
Anna Irto, Francesco Crea, Chiara Alessandrello, Giuseppe Gattuso, Massimiliano Cordaro, Concetta De Stefano, Rosalia Maria Cigala
Summary: The interaction between dopamine and aluminum was studied under different ionic strengths and temperatures. The results showed the formation of mononuclear complexes and confirmed the stability constants of these complexes. A modified Debye-Huckel equation was used to model the dependence of complex formation on ionic strength and temperature. The precipitates collected at the end of the experiments were analyzed using thermogravimetric analysis.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Tiejun Xiao, Xueyu Song
Summary: An extended Debye-Hiickel theory with a fourth-order gradient term is developed for electrolyte solutions, where the electric potential problem is solved using boundary conditions based on the continuity conditions at the dielectric boundary. The theory is successfully demonstrated when applied to various models of electrolyte solutions, showing effective results in calculating electrostatic solvation energies.
JOURNAL OF PHYSICAL CHEMISTRY A
(2021)
Article
Thermodynamics
Li Sun, Qun Lei, Baoliang Peng, Georgios M. Kontogeorgis, Xiaodong Liang
Summary: The Debye-Huckel theory is a widely used method for counting electrostatic forces in thermodynamic models. This study investigates the effects of two important parameters, ion size parameters and relative static permittivity of the solution, on the theory's accuracy. Three different activity coefficient models are analyzed and compared for 14 salt systems to better understand the capabilities and limitations of the Debye-Huckel theory. The flexibility of adjusting ion size parameters and relative static permittivity in the original theory is also explored.
FLUID PHASE EQUILIBRIA
(2022)
Article
Thermodynamics
Pierre J. Walker, Xiaodong Liang, Georgios M. Kontogeorgis
Summary: This study examines the influence of relative static permittivity (RSP) in electrolyte equations of state, focusing on aqueous sodium chloride. Different models for RSP and electrostatic terms were used and compared, with RSP models showing a more significant impact. The balance between Born-solvation and Debye-Huckel or Mean-Spherical Approximation terms is important, with RSP models playing a significant role in this balance, especially when they have a dependence on solvent or ion composition.
FLUID PHASE EQUILIBRIA
(2022)
Article
Construction & Building Technology
Yinong Shen, Qinghua Li, Shilang Xu, Xin Liu
Summary: By adjusting the pore structure and hydration of cementitious composites, the incorporation of PVA fibers and high-volume fly ash has significantly improved the electromagnetic wave absorption performance of the materials.
CEMENT AND CONCRETE RESEARCH
(2021)
Article
Electrochemistry
Tiejun Xiao, Yun Zhou
Summary: In this paper, a nonlocal electrostatics model is developed for ions in primitive electrolyte solutions. Through a self-consistent determination of parameters, the theory can reproduce the well known multi-Yukawa electric potentials in concentrated electrolyte solutions, applicable to spherical ions, and shows good agreement with HNC theory.
ELECTROCHIMICA ACTA
(2021)
Editorial Material
Chemistry, Physical
William E. Acree
Summary: A polemic is raised regarding the incorrect mathematical expressions used by Sanad in the calculation of thermodynamic properties for nano Cu(NO3)(2)center dot 2.5H(2)O dissolved in binary solvent mixtures of water and N,N-dimethylformamide.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Saman Naseri Boroujeni, Bjorn Maribo-Mogensen, Xiaodong Liang, Georgios M. Kontogeorgis
Summary: Four implicit solvent models for electrolyte solutions were compared and analyzed, and it was found that considering ion pairing improved the agreement between predicted and simulated/experimental MIAC values for 2:2 electrolytes. The FLGG model was shown to accurately capture the physics of the system.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Dan Fraenkel
Summary: The theory-experiment fit for electrolytes in non-water solvents has always been challenging. The permittivity of the solvent plays an important role in ionic activity, and it is smaller in less polar solvents. By using the extended Debye-Huckel ion activity theory DH-SiS, researchers achieved an excellent agreement between theory and experiment for HCl in nonaqueous or mixed solvents, even at very low permittivity.
Article
Chemistry, Physical
Hiroshi Frusawa
Summary: We investigate an electric-field-driven system of charged spheres as a primitive model of concentrated electrolytes. By using stochastic density functional theory, we provide a unified formulation for the stochastic charge and density dynamics. Through our research, we discover the synchronization between charge and density oscillations under a static electric field and similarities to equilibrium electrolytes.
Article
Engineering, Electrical & Electronic
Piyali Datta, Arpan Chakraborty, Rajat Kumar Pal
Summary: This paper proposes a unified flow-control co-design methodology to address various design issues in biochip design, and the performance evaluation demonstrates its efficacy.
IETE JOURNAL OF RESEARCH
(2023)
Article
Biochemistry & Molecular Biology
Solmaz Azimi, Joe Z. Wu, Sheenam Khuttan, Tom Kurtzman, Nanjie Deng, Emilio Gallicchio
Summary: Our participation in the SAMPL8 GDCC Blind Challenge for host-guest binding affinity predictions showed excellent quantitative agreement between two different binding free energy methods. The results were found to agree well with experimental binding affinities, demonstrating high quality and precision achieved by theory and methods.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
(2022)
Article
Computer Science, Information Systems
Utpal Nandi, Anudyuti Ghorai, Moirangthem Marjit Singh, Chiranjit Changdar, Shubhankar Bhakta, Rajat Kumar Pal
Summary: India has the largest deaf population in the world, but there is a huge communication barrier between normal people and deaf individuals due to the lack of knowledge about sign language. The current methods for recognizing Indian sign language are still in the developing stage, with no real-time recognition approach available. Researchers have proposed a fingerspelling recognition system using convolutional neural networks and various optimization techniques, achieving high accuracy in training and validation.
MULTIMEDIA TOOLS AND APPLICATIONS
(2023)
Article
Computer Science, Artificial Intelligence
Chiranjit Changdar, Moumita Mondal, Pravash Kumar Giri, Utpal Nandi, Rajat Kumar Pal
Summary: In this paper, a two-phase ant colony optimization (ACO) based approach is proposed to solve a single depot multiple travelling salesmen problem (mTSP) in a Type-2 Gaussian fuzzy environment. The algorithm utilizes ACO to create complete paths in the first phase and genetic algorithm (GA) features to optimize the paths in the second phase. Computational results using benchmark instances show that the devised algorithm is competitive for solving mTSP.
ARTIFICIAL INTELLIGENCE REVIEW
(2023)
Article
Computer Science, Artificial Intelligence
Debapratim Das Dawn, Abhinandan Khan, Soharab Hossain Shaikh, Rajat Kumar Pal
Summary: Computer-aided documented content analysis is a significant research area in natural language processing. In this paper, a dictionary-based model is proposed for the classification of Bengali documents. The model utilizes features obtained through lexicon concepts and combines them with different threshold levels. The supervised model is validated using k-fold cross-validation strategy and evaluated on five datasets. Besides document classification, the proposed algorithm enables name entity classification and chronology or description classification.
APPLIED INTELLIGENCE
(2023)
Article
Computer Science, Artificial Intelligence
Shubhankar Bhakta, Utpal Nandi, Tapas Si, Sudipta Kr Ghosal, Chiranjit Changdar, Rajat Kumar Pal
Summary: This paper presents a novel optimizer called diffMoment, which adjusts the step size for each parameter based on changing information between the 1st and 2nd moment estimates. Experimental results show that diffMoment outperforms AdaGrad, Adam, AdaDelta, RAdam, and RMSProp optimizers, especially when training Convolutional Neural Networks (CNN) with different activation functions.
APPLIED INTELLIGENCE
(2023)
Article
Computer Science, Hardware & Architecture
Sagarika Chowdhury, Ritwika Majumdar, Rajat Kumar Pal, Goutam Saha
Summary: This article discusses the issues and solutions of digital microfluidic biochips, focusing on cross-referencing and cross-contamination. By proposing efficient module placement design, a novel path selection method, and an on-chip washing scheme, electrode interference and cross-contamination can be effectively reduced.
INTEGRATION-THE VLSI JOURNAL
(2023)
Article
Computer Science, Artificial Intelligence
Soumen Roy, Utpal Roy, Devadatta Sinha, Rajat Kumar Pal
Summary: The study proposes a Keystroke dynamics (KD) based Parkinson's disease (PD) indicator using both fixed-text and free-text typing habits for eHealth applications. A machine learning approach is employed to analyze key hold times and time gaps between presses and releases. The proposed model shows promise in accurately detecting PD patients and can be easily integrated into conventional desktops/laptops. However, factors such as sample size, disease severity, and typing errors can impact the performance of the model.
EXPERT SYSTEMS WITH APPLICATIONS
(2023)
Article
Engineering, Electrical & Electronic
Debapratim Das Dawn, Abhinandan Khan, Soharab Hossain Shaikh, Rajat Kumar Pal
Summary: This paper presents a publicly accessible benchmark dataset for Bengali document classification, addressing the challenges faced by researchers focusing on resource-scaring languages. The dataset consists of a two-tier architecture, employing supervised and unsupervised learning models for document classification and clustering respectively. Additionally, four new feature sets are introduced to evaluate the dataset's performance.
IETE JOURNAL OF RESEARCH
(2023)
Article
Chemistry, Medicinal
Francesc Sabanes Zariquiey, Adria Perez, Maciej Majewski, Emilio Gallicchio, Gianni De Fabritiis
Summary: This study evaluates a relative binding free energy calculation method based on the alchemical transfer method (ATM). The results show that ATM is competitive in terms of speed and accuracy compared to traditional methods and can be applied with any potential energy function.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)
Article
Automation & Control Systems
Shovan Roy, Aditi Khanra, Samir Maity, Rajat Kumar Pal, Manoranjan Maiti
Summary: A medical or business representative visits different cities for optimal return, and road logistic transportation contributes to carbon emissions. A heuristic method is applied to solve the optimization problem of green four-dimensional Travelling Salesman Problems (PMG4DTSPs) with both discrete and continuous variables. Two hybrid heuristic methods, GA-ABC and GA-PSO, are developed to optimize routing plan and stay time. Numerical models illustrate the effects of multi-path justification, online payment advantage, and tour time limitation on profit, and behavioral studies and managerial decisions are presented for green models.
ENGINEERING APPLICATIONS OF ARTIFICIAL INTELLIGENCE
(2023)
Article
Computer Science, Information Systems
Sunanda Jana, Manjarini Mallik, Abhinandan Khan, Arnab Kumar Maji, Rajat Kumar Pal
Summary: This paper proposes two algorithms for solving 3D Sudoku problems, one by computing and storing possible values and the other by mapping solutions from nine 2D puzzles. These techniques offer advantages in solving problems in 3D space and where more data is required.
Article
Computer Science, Information Systems
Sunita Roy, Rikan Saha, Suvarthi Sarkar, Ranjan Mehera, Rajat Kumar Pal, Samir Kumar Bandyopadhyay
Summary: Image segmentation is an application area of computer vision and digital image processing that partitions a digital image into multiple image regions or segments. The application domain of image segmentation is widespread and includes video surveillance, object detection, traffic control system, and medical imaging.
Article
Computer Science, Artificial Intelligence
Chiranjit Changdar, Pravash Kumar Giri, Rajat Kumar Pal, Alok Haldar, Samiran Acharyya, Debasis Dhal, Moumita Khowas, Sudip Kumar Sahana
Summary: In this paper, a stochastic Knapsack Problem (KP) based mathematical model is proposed for small-scale vegetable sellers in India, aiming to maximize the total profit of the loaded/traded items within predefined constraints. The problem is solved using an advanced Genetic Algorithm and in a Type-2 fuzzy environment.
INTERNATIONAL JOURNAL OF UNCERTAINTY FUZZINESS AND KNOWLEDGE-BASED SYSTEMS
(2022)
Review
Computer Science, Information Systems
Soumen Roy, Jitesh Pradhan, Abhinav Kumar, Dibya Ranjan Das Adhikary, Utpal Roy, Devadatta Sinha, Rajat Kumar Pal
Summary: The purpose of this study is to comprehensively evaluate and analyze the implications of keystroke dynamics patterns in user authentication, identification, and determination of useful information. The study identifies six unique KD-based designs and presents the current state of research findings in authentication, identification, and prediction. The study also highlights heterogeneity across studies and suggests open research challenges and future directions.