Functional Approach Research Articles

Structural, electronic, mechanical and magnetic properties of AFeAs (A: Li, Na and K) pnictides: A density functional approach

In this comprehensive investigation, the physical (electronic, structural and magnetic) and mechanical characteristics of AFeAs (A = Li, Na, K) are examined by using first principle approximations. Employing optimized cell parameters, bulk modulus, phase stability and correlation of them with magnetic order is also reported. The equation of state described the existence of an antiferromagnetic ground state. The effects of structural alterations on electronic characteristics for all nonmagnetic and magnetic systems are also covered here. The mechanical stability and metallic nature of all AFeAs is revealed from the mechanical features and the electronic band diagram. The orbital partial density of state having mixed orbital containing degenerate 3dzx and 3dzy orbitals of the Fe-3d state are also discovered. Additionally, as many features of the stable KFeAs system were not previously quantified so, a comparative picture of KFeAs with the other two representatives (NaFeAs and LiFeAs) of A-111 groups is also provided.

Investigation on molecular and biomolecular spectroscopy of the novel 2BCA molecule to analyse its biological activities and binding interaction with nipah viral protein

The molecule of 2-Biphenyl Carboxylic Acid (2BCA), which contains peculiar features, was explored making use of density functional theory (DFT) and experimental approaches in the area of quantum computational research. The optimised structure, atomic charges, vibrational frequencies, electrical properties, electrostatic potential surface (ESP), natural bond orbital analysis and potential energy surface (PES) were obtained applying the B3LYP approach with the 6–311++ G (d,p) basis set.. The 2BCA molecule was examined for possible conformers using a PES scan. The methods applied for spectral analyses included FT-IR, FT-RAMAN, NMR, and UV–Vis results. Vibrational frequencies for all typical modes of vibration were found using the Potential Energy Distribution (PED) data. The UV–Vis spectrum was simulated using the TD-DFT technique, which is also seen empirically. The Gauge-Invariant Atomic Orbital (GIAO) approach was employed to model and study the 13C and 1H NMR spectra of the 2BCA molecule in a CDCL3 solution. The spectra were then exploited experimentally to establish their chemical shifts. To predict the donor and acceptor interaction, the NBO analysis was used. The electrostatic potential surface was employed to anticipate the locations of nucleophilic and electrophilic sites. Hirshfeld surfaces and their related fingerprint plots are exploited for the investigation of intermolecular interactions. Reduced Density Gradient (RDG) helps to measure and illustrate electron correlation effects, offering precise insights into chemical bonding, reactivity, and the electronic structure of 2BCA. According to Lipinski and Veber’s drug similarity criteria, 2BCA exhibits the typical physicochemical and pharmacokinetic properties that make it a potential oral pharmaceutical candidate. According to the findings of a molecular docking study, the 2BCA molecule has promise as a treatment agent for the Nipah virus (PDB ID: 6 EB9), which causes severe respiratory and neurological symptoms in humans.

Conceptual Properties of Islamic Economic Modeling: Complexity, Nonlinearity, and Endogeneity in Epistemological Perspectives

This paper introduces a new perspective of economic reasoning and analysis pertaining to situations of complexity combined with nonlinearity and endogenous relations among interacting, integrating and evolutionary entities. The entities comprise multi-variables representing different embedded systems that encompass economy, society, science, and ethics. In the emergent model of endogenous inter-causal relationships between such entities the ontological perspective assumes the nature of evaluating inter-causal intra- and inters- systemic relations by means of formalism belonging to functional ontology of mathematical forms (Gruber, 1993), as opposed to invoking metaphysical ontological speculation. The functional ontological approach to structure and formalize leads to a new framework of economic reasoning in the presence of embedded systems that continuously participate and complement, as opposed to being subjected to the central postulate of marginal rate of substitution and exogenous treatment of knowledge in mainstream economics. The continuous phenomenon of interaction, integration, and evolutionary (IIE) learning in such inter-causal systems establish ethical endogeneity. Thus, philosophical background of economic reasoning is invoked in the functional epistemological formalism of the interactive, integrative, and evolutionary systems. That is sush systems are characterized by IIE-learning processes induced by the episteme of unity of knowledge.

The functional approach to grammatical thought according to Abu Ali Al-Farsi

كانت الأحكام النّحويّة التي يطلقها أبو عليّ الفارسيّ تؤكد الجانب الوظيفي للغة ، إذ لم يقتصر في أحكامه على الجانب الشّكلي للتراكيب النّحويّة بل استطاع أن يوازن بين الشّكل والوظيفة ؛ لبيان المهمة الرئيسة للغة في حيز التّواصل الإنساني ، وقد رفض كثيرًا من الأحكام والمصطلحات والحدود معتمدًا على الوظيفة النّحويّة التي تؤديها المفردات داخل التركيب النّحوي ؛ ليبين أنّ وظيفة النحو لا تتحقق بتعلم القوانين النّحويّة الجامدة بل تتحقق بوساطة اتقان نظام اللغة ، وأساليبها في التّعبير.

Technology development of novel autogenous double pulse tungsten insert gas welding technique to evaluate the depth of penetration, micro segregation via machine learning and desirability function approach

The present research investigates the effect of process parameters on the microstructure, micro segregation, and material properties of the Autogenous Double Pulse Tungsten Inert Gas Welding (ADP-TIG) of Inconel 625. The optimization of the process parameter was evaluated by Response surface Methodology (RSM) Box Behnken method. In this article, the effects of the weld-bead geometry, weld centre (WC), weld interface (WI), and heat affected zone (HAZ) were evaluated through macro morphology, microstructure, SEM/EDAX, XRD, and micro hardness. The outcomes indicate that by employing a combination of high and low frequency pulsing in ADP-TIG, it is possible to regulate not only the dimensions of the weld-bead and penetration depth but also the HAZ. The ADP-TIG process has a low heat input, resulting in finer grains in the microstructure, reduced secondary phases, and a narrower HAZ. SEM images of alloy 625 confirms the depiction of fine equiaxed dendrites. The ADP-TIG process reduces secondary phase formation due to a reduction in Mo and Nb alloying elements. EDAX results also show that the micro segregation in the weld centre (WC) and weld interface (WI) is very less in the dendritic core region because of the lower heat Input. The XRD result confirms the presence of NbzNi, Cr₂Nb, Ni8Nb, Fe2Mo3 and FeNi phases. The maximum microhardness values in WC and WI are 290 HV and 280 HV, respectively. The impacts of ADP-TIG welding technique specifications on factors such as weld bead geometry, WC, WI, and HAZ have been thoroughly examined across a range of process parameters. Further the process parameters of ADP-TIG were optimized using a desirability function to achieve defect-free welds, followed by experimental validation. The desirability function results were then compared with a machine learning (ML) approach. The investigation aimed to assess ML algorithms' predictive capability for weldment outcomes. From the ML modelling results, Support Vector Machine (SVM) using the Radial Basis Function (RBF) kernel was identified as the superior strategy for accurately predicting Heat input, Mo segregation, and Nb segregation. Additionally, Gaussian process regression (GPR) with an RBF kernel was recommended for predicting the Width to Depth Ratio.

Inclusion of Nonresonant Effects Into Quasi‐Linear Diffusion Rates for Electron Scattering by Electromagnetic Ion Cyclotron Waves

AbstractElectromagnetic ion cyclotron (EMIC) waves are a key plasma mode affecting radiation belt dynamics. These waves are important for relativistic electron losses through scattering and precipitation into Earth's ionosphere. Although theoretical models of such resonant scattering predict a low‐energy cut‐off of ∼1 MeV for precipitating electrons, observations from low‐altitude spacecraft often show simultaneous relativistic and sub‐relativistic electron precipitation associated with EMIC waves. Recently, nonresonant electron scattering by EMIC waves has been proposed as a possible solution to the above discrepancy. We employ this model and a large database of EMIC waves to develop a universal treatment of electron interactions with EMIC waves, including nonresonant effects. We use the Green's function approach to generalize EMIC diffusion rates foregoing the need to modify existing codes or recompute empirical wave databases. Comparison with observations from the electron losses and fields investigation mission demonstrates the efficacy of the proposed method for explaining sub‐relativistic electron losses by EMIC waves.

Gender preference in China: A study with indirect utility function

The traditional view is that China is a strong son preference country, and some empirical studies support such view. We argue that demand for children, including sex of children, and family size, is the outcome of economic decisions in which social and economic factors could interact with gender preference. Thus, it is possible that strong social and economic factors counteract the strong son preference and lead to daughter preference. To investigate this possibility, we propose an indirect utility function approach and apply it to a recent Chinese data set. We find strong evidence on preference reversal as incomes and child rearing costs rise substantially for Chinese urban parents. Given that China is now a middle-income country and child rearing costs have skyrocketed during the last four decades, we find that Chinese parents with one child have little interest in rushing to have a second child. This does not bode well for the Chinese government’s programs to improve demographics.

Quantum Gravity Corrections to the Inflationary Spectrum in a Bohmian Approach

A precise interpretation of the universe wave function is forbidden in the spirit of the Copenhagen School since a precise notion of measure operation cannot be satisfactorily defined. Here, we propose a Bohmian interpretation of the isotropic universe quantum dynamics, in which the Hamilton–Jacobi equation is restated by including quantum corrections, which lead to a classical trajectory containing effects of order ℏ2. This solution is then used to determine the spectrum of gauge-invariant quantum fluctuations living on the obtained background model. The analysis is performed adopting the wave function approach to describe the fluctuation dynamics, which gives a time-dependent harmonic oscillator for each Fourier mode and whose frequency is affected by the ℏ2 corrections. The properties of the emerging spectrum are discussed, outlining the modification induced with respect to the scale-invariant result, and the hierarchy of the spectral index running is discussed.

Recreational Space as the Embodiment of the Garden of Eden Archetype

The purpose of the article is to research the spiritual basis and motivation of human activity in the relationships between humans and the natural environment to create various forms of recreational spaces in the socio-cultural context of the post-industrial era. Theoretical basis. The research is based on the approach of analytical psychology by C. Jung, who identified the archetypes of the collective unconscious. These archetypes help overcome the limitations of the functional and pragmatic approach, which is focused on mere survival. They make sense and provide values in the relationship between humans and nature. Originality. The article evaluates how archetypal images of the collective unconscious, with the help of the Garden of Eden image in the socio-cultural context of European civilization, influence the recreational space in contemporary urban environments. The novelty of the work is also in the interdisciplinary approach, integrating knowledge from various fields such as philosophy, sociology, cultural studies, analytical psychology, and urban planning, which contributes to the profound understanding of complex socio-cultural processes. This paradigm emphasizes the interconnection and interdependence, adaptability, and co-evolution of society and nature, as well as requires the interdisciplinary methodological approach. Additionally, the article presents a fresh perspective on nature and its elements in terms of their importance both for individuals and society. Conclusions. The article investigates the socio-cultural factors that evoke the interest of man and society in natural factors as a recreational resource and determine the latest theoretical approaches to their use. Various recreational activities to create a renewed space provide a person with a full physical, socio-psychological and cognitive development. The humanization of the natural environment becomes the embodiment of the collective memory and history of mankind. The recreational space symbolizes spiritual values, so it is transformed from physical to socio-cultural and provides theoretical approaches to its implementation in modern urban planning practices.

EVOLUTION OF THE SYSTEM OF POWERS OF THE PRESIDENT OF THE REPUBLIC OF KAZAKHSTAN

The author notes that most Kazakh authors in determining the powers of the head of state one way or another adhere to a functional approach. The term «function» itself is found in the constitutions of some States. However, both in the first Constitution of independent Kazakhstan dated January 28, 1993, and in the current Constitution, this term was not used. Nevertheless, some provisions of the Constitution of the Republic can be interpreted as descriptions of the functions of the highest official of the State. In the article, the author examines the groups of powers specified in the Constitutional Law of the Republic of Kazakhstan "On the President of the Republic of Kazakhstan". The author examines the development of the powers of the head of state, taking into account all constitutional reforms since the adoption of the current Constitution of the Republic of Kazakhstan (amendments and additions in 1999, 2007, 2011, 2017, 2022 and 2023). The subject of the study is the legal acts of the Republic of Kazakhstan, the legal norms formulated in them and the practice of their implementation, program documents. The objectives of the work are to identify problems in the development of the system of powers of the President and to develop proposals for their solution. The article analyzes each group of powers of the head of state, including the constitutional and legal position of the President in the system of public authorities, analyzes the processes of development of relations between state bodies, identifies provisions that are insufficiently clear. The author draws attention in detail to the excessive detail of the powers of the head of state for each group of powers, including the inconsistency of some powers under the Constitution, Constitutional Law and other legal acts. In conclusion, an assessment is given of some provisions of the legal acts of Kazakhstan, recommendations are given on the expansion of powers.

Semi-time-dependent stabilization results for asynchronously switched systems: An extended persistent dwell time switching strategy involving admissible transition information

This study investigates the stabilization problem for a kind of continuous-time asynchronously switched systems via a set of edge- or mode-dependent state-feedback controllers. To this end, an innovative switching strategy of admissible chain-dependent (or admissible edge-dependent) persistent dwell time property is presented by injecting the admissible transition chain (or admissible transition edge) notion into the existing persistent dwell time concept. Based on the admissible transition edges in a directed graph reported in the literature, the corresponding admissible transition chains can be determined. The individual allocation of transition weights for each admissible transition chain makes the presented admissible chain-dependent persistent dwell time switching less conservative than the other presented admissible edge-dependent persistent dwell time and the already existing mode-dependent persistent dwell time switching. Further, different from the Lyapunov functions commonly used in previous asynchronous stabilization works, a new semi-time-dependent Lyapunov function in a unique form that fits the nature of the discussed systems is suggested to provide a broader family of allowable switching signals. By the introduced switching and Lyapunov function approaches, new stability and stabilization criteria are formulated, through which the expected edge- or mode-dependent state-feedback controllers are devised. At last, the validity and applicability of the obtained stabilization solutions are demonstrated by a numerical example and a practical thermal system.

ОРГАНИ ДЕРЖАВНОЇ ВЛАДИ ЯК СУБ’ЄКТИ ВІЙСЬКОВО-ТЕХНІЧНОГО СПІВРОБІТНИЦТВА

The article analyzes the issues of competence of public authorities as subjects of legal relations in the field of military-technical cooperation. Based on the functional division of state power, the structure of state authorities in the field of military-technical cooperation is considered. It is stated that the only legislative body in Ukraine is the Parliament, the Verkhovna Rada of Ukraine. The relevant government bodies, primarily the Cabinet of Ministers of Ukraine, represent the executive branch of government. Based on the functional approach, the author proposes a three-tier system of central executive bodies in the field of military-technical cooperation, which includes: Level I – the Cabinet of Ministers of Ukraine; Level II – ministries of Ukraine (Ministry of Defense, Ministry of Strategic Industries, Ministry of Finance); Level III – state services, state inspections, state agencies, independent regulators and bodies with special status (State Export Control Service, State Space Agency). It was noted that an advisory body should be established with the competence to deal with military-technical cooperation, namely: The Interagency Commission on Military-Technical Cooperation and Export Control Policy, which is an advisory body to the President of Ukraine. Key words: military-technical cooperation, international cooperation, subjects of legal relations, public authorities, military-industrial complex.

Computation of Choquet integrals: Analytical approach for continuous functions

In the continuous case, analytical computations of the Choquet integral are limited, despite being commonly used in various applications. One can either use the definition, which is computationally demanding and impractical, or apply already existing formulas restricted only to monotone nonnegative functions on a real interval starting at zero. This article aims to present more convenient computational formulas for continuous functions without imposing restrictions on their monotonicity given any real interval. First, a more general approach to monotone functions is provided for both positive and negative functions. Then, reordering techniques are introduced to compute the Choquet integral of an arbitrary continuous function, and with these, a monotone equivalent to every function can be constructed. This equivalent function preserves the final Choquet integral value, implying that only formulas for monotone functions are required. In addition to general fuzzy measures, the article assumes particular cases of distorted Lebesgue measures and distorted probabilities as the most commonly used fuzzy measures.

Functional Breathing and Approaches in Pulmonary Rehabilitation: A Literature Review

Functional Breathing and Approaches in Pulmonary Rehabilitation: A Literature Review

Iron-Catalyzed, Light-Driven Decarboxylative Alkoxyamination.

An iron-catalyzed visible-light driven decarboxylative alkoxyamination is disclosed. In the presence of FeBr2 and TEMPO, a large array of carboxylic acids including marketed drugs and biobased molecules is turned into the corresponding alkoxyamine derivatives. The versatility of the latter offers an entry towards molecular diversity generation from abundant starting materials and catalyst. Overall, this method proposes a unified and general approach for LMCT-based iron-catalyzed decarboxylative functionalization.

Adaptive forest management improves stand-level resilience of temperate forests under multiple stressors

Forests are expected to be strongly affected by modifications in climate and disturbance regimes, threatening their ability to sustain the provision of essential services. Promoting drought-tolerant species or functionally diverse stands have recently emerged as management options to cope with global change. Our study aimed at evaluating the impact of contrasting stand-level management scenarios on the resilience of temperate forests in eastern North America and central-western Europe using the individual process-based model HETEROFOR. We simulated the evolution of eight stands over 100 years under a future extreme climate according to four management scenarios (business as usual - BAU; climate change adaptation - CC; functional diversity approach - FD; no management - NM) while facing multiple disturbances, resulting in a total of 160 simulations. We found that FD demonstrated the greatest resilience regarding transpiration and tree biomass, followed by CC and then BAU, while these three scenarios were equivalent concerning the net primary production. These results were however dependent on forest type: increasing functional diversity was a powerful option to increase the resilience of coniferous plantations whereas no clear differences between BAU and adaptive management scenarios were detected in broadleaved and mixed stands. The FD promoted a higher level of tree species diversity than any other scenario, and all scenarios of management were similar regarding the amount of harvested wood. The NM always showed the lowest resilience, demonstrating that forest management could be an important tool to mitigate adverse effects of global change. Our study highlighted that tree-level process-based models are a relevant tool to identify suitable management options for adapting forests to global change provided that model limitations are considered, and that alternative management options, particularly those based on functional diversity, are promising and should be promoted from now on.

Fixed-time adaptive neural tracking control for high-order nonlinear switched systems with input saturation and dead-zone

This article investigates the problem of tracking control for high-order switched nonlinear systems with input saturation and dead-zone. The uncertain nonlinear functions are estimated via applying radial basis function neural networks (RBF NNs). An improved transformation approach is designed to simplify the design complexity caused by input nonlinearities. In particular, a novel filter is presented to handle the difficulty of “explosion of complexity”. With the support of the common Lyapunov function (CLF) approach, a novel neural fixed-time dynamic surface control (DSC) scheme is proposed to assure all the signals in closed-loop systems are bounded and the output signal tracks the expected signal within fixed time. The simulation example illustrates the validity of the proposed control algorithm.

A complex relationship between cropping systems and soil macrofauna: Influence of practice intensity, taxa and traits

Larger soil organisms have often been reported as the most sensitive to disturbances caused by cropping practices. However, soil macrofauna comprises groups with a wide diversity of morphological and ecological features, which may respond differently to applied practices. In order to further assess the effect of cropping systems on soil macrofauna, macrofauna organisms were extracted from soil blocks over 21 fields (each comprising three plots) located in the Paris basin, in autumns 2020 and 2021. Fields belonged to conventional, conservation or organic systems, either long-established (≥ 7 years) or in transition (≤ 3 years). Tillage, pesticide treatment and organic matter input intensity were assessed in each field using composite indexes of practice intensity. Macrofauna density and diversity, earthworm ecological categories, species richness and functional traits were investigated. Our results showed that the density and diversity of macrofauna demonstrated few differences regarding different cropping systems, with highly variable effects across groups and years. Specific macroarthropod groups responded differently to tillage, pesticide treatment and organic input intensity, but not over the two years of the study. Regarding earthworms, high tillage intensity had a negative effect on the density and biomass of epi-anecic juveniles and on species with a small body size. Higher organic matter inputs had a negative effect on the density and biomass of endogeic earthworms, and could be related to several earthworm functional traits (body length, mass/length ratio, carbon preferences). Effects of pesticide treatments were less clear, although they could have impacted some earthworm species. More generally, taxonomic and functional trait approaches of earthworm community led to similar conclusions. Overall, our results support the need to account for (i) the actual intensity of practices in cropping systems and (ii) the different taxonomic, trophic and ecological groups of macrofauna, in order to assess the effects of cropping systems on soil biodiversity.

Robust Picture Fuzzy Regression Functions Approach Based on M-Estimators for the Forecasting Problem

AbstractA picture fuzzy regression function approach is a fuzzy inference system method that uses as input the lagged variables of a time series and the positive, negative and neutral membership values obtained by picture fuzzy clustering method. In a picture fuzzy regression functions method, the parameter estimation is also obtained by ordinary least squares method. Since the picture fuzzy regression functions approach is based on the ordinary least squares method, the forecasting performance decreases when there are outliers in the time series. In this study, a picture fuzzy regression function approach that can be used even in the presence of outliers in a time series is proposed. In the proposed method, the parameter estimation for the picture fuzzy regression function approach is performed based on robust regression with Bisquare, Cauchy, Fair, Huber, Logistic, Talwar and Welsch functions. The forecasting performance of the proposed method is evaluated on the time series of the Spanish and the London stock exchange time series. The forecasting performance of these time series are evaluated separately for both the original and outlier cases. Besides, the proposed method is compared with several different fuzzy regression function approaches and a neural network method. Based on the results of the analysis, it is concluded that the proposed method outperforms the other methods even when the time series contains both original and outliers.

New conjugated copolymer MEH-PPV-P3HT with donor-acceptor system for organic optoelectronics applications: Experimental and theoretical study

Donor-acceptor architecture was designed of new diblocks copolymer MEH-PPV-P3HT synthesis. The new copolymer was elaborated through oxidative pathway. The correlation structure-properties and their potential photophysical characteristics of the obtained material were reported utilizing several characterization analyses (InfraRed, Raman, TGA, UV visible spectroscopy, as well as PL and TRPL). To define the model's geometric structure, vibrational, and optoelectronic properties of the studied copolymer, Density Functional Theory DFT and Time-dependent Density Functional Theory TD-DFT approach were carried out. The obtained copolymer exhibits great thermal stability and substantial absorption in the visible range. An energy gap lower than the original materials by the amount of 1.74 eV which proves the presence of the charge transfer process. In addition, due to Forster energy transfer from the MEH-PPV to the P3HT an enhancement of the exciton average lifetime was detected. The obtained results from the copolymer characterization suggest a potential for application in organic optoelectronic devices. A good accordance between experimental and theoretical results based DFT calculations is obtained.