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Computation, Volume 12, Issue 12

2024 December - 20 articles

Cover Story: Quantum mechanics/molecular mechanics (QM/MM) umbrella sampling molecular dynamics (MD) simulations give us an important clue about the transition states of chemical reactions and their free energy levels. By applying this method to the chiral-selective aminoacylation of an RNA minihelix (primitive form of tRNA), we elucidated, for the first time, the “flowing” atomistic mechanisms of the reaction and showed that the left-handed amino acid (L-alanine) moiety stabilizes the transition state more than the right-handed amino acid (D-alanine), resulting in L-alanine preference in the aminoacylation reaction in the RNA. Our results provided an important clue to the origin of “homochirality”, in which proteins in biological systems are composed exclusively of left-handed amino acids. View this paper
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Articles (20)

  • Article
  • Open Access
5 Citations
2,171 Views
15 Pages

23 December 2024

This study addresses the accessibility challenges faced by individuals with visual impairments due to limited access to graphic information, which significantly impacts their educational and social integration. Traditional methods for producing tacti...

  • Article
  • Open Access
11 Citations
8,535 Views
19 Pages

Development of Blockchain Technology in Financial Accounting

  • Olha Prokopenko,
  • Artem Koldovskiy,
  • Marina Khalilova,
  • Aigul Orazbayeva and
  • José Machado

23 December 2024

This study investigates the transformative potential of blockchain technology in financial accounting by examining its applications, challenges, and implications. The study begins with a review of blockchain’s origins and its ability to address...

  • Case Report
  • Open Access
2 Citations
1,344 Views
18 Pages

23 December 2024

One of the issues in Natural Language Processing (NLP) and Artificial Intelligence (AI) is language representation and modeling, aiming to manage its structure and find solutions to linguistic issues. With the pursuit of the most efficient capture of...

  • Article
  • Open Access
3 Citations
3,560 Views
21 Pages

Additive Manufacturing Gyroid Structures Used as Crash Energy Management

  • Horacio Rostro-González,
  • Guillermo Reyes-Pozo,
  • Josep Maria Puigoriol-Forcada,
  • Francisco-José López-Valdés,
  • Sriharsha Srinivas Sundarram and
  • Andres-Amador Garcia-Granada

19 December 2024

Gyroid-like structures are promising in terms of energy absorption levels. Due to additive manufacturing, they can now be manufactured and verified for different functions. In this article, it has been proven that a Gyroid manufactured by FDM using P...

  • Article
  • Open Access
6 Citations
4,478 Views
21 Pages

18 December 2024

Energy efficiency has become a crucial focus with the growing attention on sustainable development and decreasing energy consumption in the built environment. Different construction methods are being applied worldwide, such as conventional, modular,...

  • Article
  • Open Access
1,698 Views
12 Pages

17 December 2024

In this work, we investigate the transition from regular dynamics to chaotic behavior in a one-dimensional quartic anharmonic classical oscillator driven by a time-dependent external square-wave force. Owing to energy conservation, the motion of an u...

  • Article
  • Open Access
10 Citations
1,530 Views
18 Pages

A Novel Megastable Chaotic System with Hidden Attractors and Its Parameter Estimation Using the Sparrow Search Algorithm

  • Atefeh Ahmadi,
  • Vijeesh Vijayan,
  • Hayder Natiq,
  • Alexander N. Pchelintsev,
  • Karthikeyan Rajagopal and
  • Sajad Jafari

15 December 2024

This work proposes a new two-dimensional dynamical system with complete nonlinearity. This system inherits its nonlinearity from trigonometric and hyperbolic functions like sine, cosine, and hyperbolic sine functions. This system gives birth to infin...

  • Article
  • Open Access
3 Citations
2,721 Views
36 Pages

Inventory Model for Instantaneously Deteriorating Items with Multiple Trade Facilities, Stock- and Price-Dependent Demand, and Full Backlogging

  • Rabeya Sarker,
  • Md. Sharif Uddin,
  • Md Abu Helal,
  • Aminur Rahman Khan,
  • Ali AlArjani and
  • El-Awady Attia

12 December 2024

This paper formulates six inventory models for products with instantaneous deterioration, focusing on the impacts of full and partial advance payment structures. The demand function depends on both price and stock levels and accounts for shortages th...

  • Article
  • Open Access
5 Citations
1,525 Views
16 Pages

11 December 2024

The third-order pseudoparabolic equations represent models of filtration, the movement of moisture and salts in soils, heat and mass transfer, etc. Such non-classical equations are often referred to as Sobolev-type equations. We consider an inverse p...

  • Article
  • Open Access
1 Citations
1,433 Views
19 Pages

5 December 2024

Excessive use of pesticides can lead to pesticide resistance in citrus psyllids, and studies have shown that this resistance is related to population genetics. This article proposes a dynamic model of Huanglongbing (HLB) that integrates the populatio...

  • Article
  • Open Access
1 Citations
3,887 Views
32 Pages

5 December 2024

Designing scaffolds similar to the structure of trabecular bone requires specialised algorithms. Existing scaffold designs for bone tissue engineering have repeated patterns that do not replicate the random stochastic porous structure of the internal...

  • Article
  • Open Access
4 Citations
4,538 Views
10 Pages

5 December 2024

The Theil index is one of the most popular indices of economic inequality, one reason for which is no doubt due to its convenient additive decomposition property. One of its weaknesses, however, is its lack of any intuitively meaningful interpretatio...

  • Article
  • Open Access
4 Citations
2,651 Views
23 Pages

3 December 2024

In this work, kinetic models are assessed to describe bacterial cellulose (BC) production, substrate consumption, and biomass growth by K. xylinus in a batch-stirred tank bioreactor, under 700 rpm and 500 rpm agitation rates. The kinetic models commo...

  • Perspective
  • Open Access
1 Citations
2,465 Views
10 Pages

2 December 2024

Biological phenomena are chemical reactions, which are inherently non-stopping or “flowing” in nature. Molecular dynamics (MD) is used to analyze the dynamics and energetics of interacting atoms, but it cannot handle chemical reactions in...

  • Article
  • Open Access
2 Citations
2,251 Views
22 Pages

1 December 2024

Large language models (LLMs) are quickly implemented to answer question and support systems to automate customer experience across all domains, including medical use cases. Models in such environments should solve multiple problems like general knowl...

  • Article
  • Open Access
1 Citations
997 Views
18 Pages

Asymptotic and Probabilistic Perturbation Analysis of Controllable Subspaces

  • Vera Angelova,
  • Mihail Konstantinov and
  • Petko Petkov

28 November 2024

In this paper, we consider the sensitivity of the controllable subspaces of single-input linear control systems to small perturbations of the system matrices. The analysis is based on the strict component-wise asymptotic bounds for the matrix of the...

  • Article
  • Open Access
1,987 Views
27 Pages

27 November 2024

The rising popularity of UAVs and other autonomous control systems coupled with real-time operating systems has increased the complexity of developing systems with the proper robustness, performance, and reactivity. The growing demand for more sophis...

  • Article
  • Open Access
7 Citations
1,477 Views
23 Pages

27 November 2024

A comprehensive investigation of hydrogen grabbing towards the formation of hetero-clusters of AlGaN–H, Si–AlGaN–H, Ge–AlGaN–H, Pd–AlGaN–H, and Pt–AlGaN–H was carried out using DFT computations at...

  • Article
  • Open Access
6 Citations
1,708 Views
40 Pages

Multiple Behavioral Conditions of the Forward Exchange Rates and Stock Market Return in the South Asian Stock Markets During COVID-19: A Novel MT-QARDL Approach

  • Mosab I. Tabash,
  • Adel Ahmed,
  • Suzan Sameer Issa,
  • Marwan Mansour,
  • Manishkumar Varma and
  • Mujeeb Saif Mohsen Al-Absy

26 November 2024

This study examines the short- and long-term effects of multiple quantiles of forward exchange rate premiums (FERPs) and COVID-19 cases on the quantiles of stock market returns (SMRs). We extend the Quantile Autoregressive Distributive Lag (QARDL) mo...

  • Article
  • Open Access
10 Citations
4,068 Views
13 Pages

26 November 2024

Cervical cancer (CC) remains a significant health issue, especially in low- and middle-income countries (LMICs). While Pap smears are the standard screening method, they have limitations, like low sensitivity and subjective interpretation. Liquid-bas...

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Computation - ISSN 2079-3197