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Search results for: energy systems modeling, bond graphs method
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Geometry optimization of steroid sulfatase inhibitors - the influence on the free binding energy with STS
PublicationIn the paper we review the application of two techniques (molecular mechanics and quantum mechanics) to study the influence of geometry optimization of the steroid sulfatase inhibitors on the values of descriptors coded their chemical structure and their free binding energy with the STS protein. We selected 22 STS-inhibitors and compared their structures optimized with MM+, PM7 and DFT B3LYP/6–31++G* approaches considering separately...
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Modeling an Industrial Revolution: How to Manage Large-Scale, Complex IoT Ecosystems?
PublicationAdvancements around the modern digital industry gave birth to a number of closely interrelated concepts: in the age of the Internet of Things (IoT), System of Systems (SoS), Cyber-Physical Systems (CPS), Digital Twins and the fourth industrial revolution, everything revolves around the issue of designing well-understood, sound and secure complex systems while providing maximum flexibility, autonomy and dynamics. The aim of the...
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Evaluation of losses in a hydraulic motor based on the SWSB - 63 motor tests
PublicationIn this paper are compared two models of energy losses: that suggested by Prof. Paszota,Z. in monograph "Energy losses in the hydraulic displacement motors - definitions and relations serving the evaluation of the efficiency of hydrostatic drive" [18] and that ofProf. Balawender, A. in "Energy analysis and methodology of testing of low-speed hydraulic motors" [1]. By using the data obtained from the tests of SWSB-63 hydraulic motors...
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CAES – Energy storage providing stability for national power system
PublicationThis paper presents a short characteristics of the power system. It also describes various types of energy storage technologies. The suggested solution of accumulation and generation of electric power is based on the cooperation of gas turbine with Compressed Air Storage Energy systems – CAES. This analysis describes also various types of cooperation of CAES and renewable sources of energy, particularly wind power systems.
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A Surveillance Of Dynamic Processes in Selected Mechatronic Systems
PublicationThe paper concerns development of original method of optimal control at energy performance index and its application to dynamic processes surveillance of some mechatronic systems. The latter concerns chatter vibration surveillance during highspeed slender milling of rigid details, as well as motion control of two-wheeled mobile platform. Results of on-line computer simulations and real performance on the target objects reflect...
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Determination of Mechanical Energy Loss in Steady Flow by Means of Dissipation Power
PublicationWhen systems of simple geometry like pipes or regular channels are considered, the mechan- ical energy loss of the fluid flow can be expressed by local and longitudinal empirical energy loss coefficients. However, in the case of large spatially distributed objects, there are no simple approaches to this task. In practice, general recommendations addressing different types of objects are used, but they usually provide very coarse...
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Performance and Power-Aware Modeling of MPI Applications for Cluster Computing
PublicationThe paper presents modeling of performance and power consumption when running parallel applications on modern cluster-based systems. The model includes basic so-called blocks representing either computations or communication. The latter includes both point-to-point and collective communication. Real measurements were performed using MPI applications and routines run on three different clusters with both Infiniband and Gigabit Ethernet...
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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublicationWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
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Chosen aspects of muscle biomechanics
PublicationConsidering a striated skeletal muscle as a different properties mechanical system, one can understand series of important phenomena happening in a real muscle phenomenon of muscle: 1) force delivery to skeletal apparatus through tendons; 2) changing of exerted muscle belly mass distribution with regards to skeletal apparatus; 3) beginning drop of muscle force. A disregard of first phenomenon causes an impossibility to explain...
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Autoencoder application for anomaly detection in power consumption of lighting systems
PublicationDetecting energy consumption anomalies is a popular topic of industrial research, but there is a noticeable lack of research reported in the literature on energy consumption anomalies for road lighting systems. However, there is a need for such research because the lighting system, a key element of the Smart City concept, creates new monitoring opportunities and challenges. This paper examines algorithms based on the deep learning...
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Mathematical Models of Control Systems of Angular Speed of Steam Turbines for Diagnostic Tests of Automatic and Mechatronic Devices
PublicationAccurate modeling of physical processes of many automatics and mechatronics systems is often necessity. In power system such a process is control of angular velocity of power objects during connection to operation in parallel. This process is extremely dynamic. For this reason response of control system depends from changes of many physical parameters (temperature, pressure and flow of the medium, etc.). Precision modeling influences...
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Design, Synthesis, and Enzymatic Evaluation of Novel ZnO Quantum Dot-Based Assay for Detection of Proteinase 3 Activity
PublicationHerein, the synthesis and application of functionalized quantum dot-based protease probes is described. Such probes are composed of nontoxic ZnO nanocrystals decorated by amino groups followed by linker and labeled peptide attachment. Spherical NH2-terminated ZnO quantum dots (QDs) with the average size ranging from 4 to 8 nm and strong emission centered at 530 nm were prepared using the sol−gel method. The fluorescence of ZnO...
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Simulation-Driven Antenna Modeling by Means of Response Features and Confined Domains of Reduced Dimensionality
PublicationIn recent years, the employment of full-wave electromagnetic (EM) simulation tools has become imperative in the antenna design mainly for reliability reasons. While the CPU cost of a single simulation is rarely an issue, the computational overhead associated with EM-driven tasks that require massive EM analyses may become a serious bottleneck. A widely used approach to lessen this cost is the employment of surrogate models, especially...
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Evaluation of Workflow Runtime Platforms in Service Composition
PublicationTypically, workflow applications are constructed from basic functionalities that may be realized by alternative services deployed in heterogeneous runtime platforms. Depending on workflow structure and selection of services, the applications differ in attributes such as price, Quality of Service (QoS) and others. In the paper, we propose a method of evaluation of workflow runtime platforms using Data Envelopment Analysis. We present...
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Evaluation of Eucalyptus leaves as an adsorbent for decolorization of Methyl Violet (2B) dye in contaminated waters: Thermodynamic and Kinetics model
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Modeling the application of steel slag in stabilizing expansive soil
PublicationThe objective of this study was to evaluate the suitability of steel slag as an additive to the engineering properties of weak clay soil. Different geotechnical laboratory tests were conducted on both stabilized and natural soils. Steel slag (SS) was added at a rate of 0, 5, 10, 15, 20, and 25% to the soil. Specific gravity, grain size analysis, Atterberg limit test, compaction test, free swell, California bearing ratio (CBR),...
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Enhanced boron doping of thin diamond films grown in deuterium-rich microwave plasma
PublicationThe boron-doped diamond thin films were growth in deuterium rich microwave plasma in CVD process. The mechanism of influence of plasma composition on boron doping level was studied using optical emission spectroscopy. Deuterium rich plasma results in an increased dissociation of B2H6 precursor and intense boron-radicals' production. In consequence, a higher doping level of diamond films was observed by means of Laser Induced Breakdown...
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Modeling of Human Tissue for Medical Purposes
PublicationThe paper describes the possibilities offered for medicine by modeling of human tissue using virtual and augmented reality. It also presents three proposals of breast modeling for the use in clinical practice. These proposals are the result of arrangements of medical and computer scientists team (the authors) and will be pursued and implemented in the near future. There is included also a brief description of the most popular methods...
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Energy efficiency of electric multiple units in suburban operation
PublicationThis thesis presents approach to analysis of energy efficiency of a suburban rail network, using novel models developed on the Matlab/Simulink basis. Necessary features and requirements for such models were determined thru in-depth review of the source literature in all applicable fields: electrified transportation systems, electric multiple units construction, vehicle drivetrains and finally, existing simulation methods. Existing...
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General, Mild, and Metal-Free Functionalization of Indole and Its Derivatives Through Direct C3-Selenylation
PublicationA very mild method for the introduction of functionalized alkylselenyl group at C-3 position of the indole ring was developed. The proposed procedure consists of an electrophilic substitution of indole and its derivatives with bis(O,O-diisopropoxyphosphorothioyl) diselenide and subsequent cleavage of the P–Se bond with tetrabutylammonium fluoride in the presence of various electrophilic reagents. This method can be successfully...
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Systems engineering approach to functional safety and cyber security of industrial critical installations
PublicationThis chapter addresses the systems engineering approach to integrated functional safety and cybersecurity analysis and management regarding selected references, standards and requirements concerning critical installations and their industrial automation and control system (IACS). The objective is to mitigate the vulnerability of industrial installations that include the information technology (IT) and the operational technology...
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Systems engineering approach to functional safety and cyber security of industrial critical installations
PublicationThis chapter addresses the systems engineering approach to integrated functional safety and cybersecurity analysis and management regarding selected references, standards and requirements concerning critical installations and their industrial automation and control system (IACS). The objective is to mitigate the vulnerability of industrial installations that include the information technology (IT) and the operational technology...
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Impact of interface heterogeneity on joint fracture
PublicationThe effects of heterogeneities (weak zones in particular) inadhesive joints and their importance on overall fracture propertiesare relatively unknown, but doubtlessly they may be crucial inmany applications. Using a model heterogeneous adhesive bond,represented by a given mixture of regions of strong and weakadhesion, we have studied the influence of interface variabilityon overall fracture energy (global energy release rate)....
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Reducing Air Pollutant Emissions from the Residential Sector by Switching to Alternative Energy Sources in Single-Family Homes
PublicationThe paper discusses a scenario for adapting residential buildings to the requirements of the EU climate and energy package. It analyzes the option of reducing pollutant emissions to ambient air by switching to alternative energy sources in a typical single-family residential building. The most common sources of energy in central heating and ventilation systems and water heating systems were compared, and the analyzed energy carriers...
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Synchronous generator model taking into account the non-uniform saturation of the pole shoes
PublicationFor the evaluation of modern electric power systems with regard to their behavior, weight, and reliability a novel modeling and simulation tools have been developed. The paper presents circuit model of synchronous generator taking into account both the non-sinusoidal distribution of the stator and rotor winding, and non-uniform saturation of the pole shoes. This model is suitable for simulation of both salient and no-salient pole...
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Efficient Fabry-Perot Open Resonator Analysis by the use of a Scattering Matrix Method
PublicationIn this paper a comparative study of the computational efficiency of two modeling methods applied to the analysis of the plano- and double-concave Fabry-Perot open resonators is presented. In both numerical approaches, a scattering matrix method was applied, which allows splitting the analysis of the resonator into several sections, including the one with a spherical mirror, which requires the largest computing resources. Two modeling...
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Analysis of the regenerative braking process for the urban traffic conditions
PublicationIn a regular drive system, with an internal combustion engine, vehicle braking is connected with the unproductive dissipation of kinetic and potential energy accumulated in the mass of the vehicle into the environment. This energy can constitute up to 70% of the energy used to drive a vehicle under urban conditions. Its recovery and reuse is one of the basic advantages of hybrid and electric vehicles. Modern traffic management...
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Ultrasound-Assisted Dispersive Liquid-Liquid Microextraction Using Deep Eutectic Solvents (DESs) for Neutral Red Dye Spectrophotometric Determination
PublicationDeep eutectic solvents (DES), which have low toxicity and are low cost, biodegradable, and easily synthesized, were used for the extraction of neutral red (NR) dye before its spectrophotometric analysis. DES, containing choline chloride as a hydrogen bond acceptor and phenol as a hydrogen bond donor with a molar ratio of 1:2, was used for the extraction of NR dye from aqueous media. The possible interaction of different DESs with...
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Toolchain Modeling: Comprehensive Engineering Plans for Industry 4.0
PublicationThe fourth industrial revolution (Industry 4.0) elevates the complexity and autonomy of industrial systems and engineering environments to levels not seen before. The novel challenges involve not only the software running on the partaking autonomous devices, but also architectural considerations and the technological infrastructure around the entire engineering process. In this paper, complementing the trends in industrial systems...
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Activation of the C=P bond in phosphanylphosphaalkenes C=P–P bond system) in the reaction with nucleophilic reagents: MeLi, nBuLi and tBuLi
PublicationThree reactions of phosphanylphosphaalkene (1) with nucleophiles were performed to activate the diphosphorus monomer. We observed similar results in the reactions with MeLi and nBuLi, in which the P–P bond is cleavaged and triphosphorus systems [P(Me)2–CH(biph)–CH(biph)–P–(PtBu 2)]- (1a'') and [P(nBu)2–CH(biph)–CH(biph)–P–(PtBu 2)]- (1b''), respectively, are formed depending on the nucleophilic reagent (biph ¼ biphenyl). In the...
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ELECTRON ATTACHMENT TO HETEROGENEOUS MOLECULAR CLUSTERS
PublicationHeterogeneous clusters are unique model species enabling studies of bulk and surface processes by vacuum restricted methods. This is of particular importance for the reactions of low-energy electrons which have extremely short penetration depth in bulk environments. This contribution overviews our recent experiments with low-energy electrons and clusters prepared by different techniques. First, the deposition of molecules on argon...
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Multiaspect measurement analysis of breaking energy recovery
PublicationNowadays the issue of electric energy saving in public transport is becoming a key area of interest, which is connected both with a growth of environmental awareness in the society and an increase in the prices of fuel and electricity. That is why the reduction of energy consumption by increasing electrified urban transport, such as trams, trolleybuses, light rail and underground is becoming an increasingly important issue. Energy...
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TEST FOR ASSESSING THE ENERGY EFFICIENCY OF VEHICLES WITH INTERNAL COMBUSTION ENGINES
PublicationThe most popular method for assessing the energy efficiency of vehicles is to compare the fuel consumption achieved in the conditions of selected approval test. Operating conditions are defined using the speed profiles, usually for only two categories: urban and extra-urban driving. Assessing the energy efficiency of vehicles should be performed using a more detailed classification of conditions. Presented results of comparison...
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Optimal control at energy performance index of the mobile robots following dynamically created trajectories
PublicationIn practice, the problem of motion control of the wheeled mobile robots is often neglected. Wheeled mobile robots are strongly nonlinear systems and restricted by non-holonomic constraints. Motion control of such systems is not trivial task and usage of non-optimal control signals can lead to deterioration of the overall robot system’s performance. In case of autonomous application of the mobile robots all parts of its control...
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Modeling of performance of a AUV vehicle towards limiting the hydro-acoustic field.
PublicationSome results of research devoted to the modeling of a AUV-Stealth vehicle performance towards limiting its hydro-acoustic field are presented in the paper. At the beginning the AUV-Stealth autonomous underwater vehicle concept is described. Then the method of research is introduced. Next the key design drivers of the AUV-Stealth vehicle are presented. Between them are the AUV-Stealth hull form, arrangement of internal spaces,...
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Energy-Aware High-Performance Computing: Survey of State-of-the-Art Tools, Techniques, and Environments
PublicationThe paper presents state of the art of energy-aware high-performance computing (HPC), in particular identification and classification of approaches by system and device types, optimization metrics, and energy/power control methods. System types include single device, clusters, grids, and clouds while considered device types include CPUs, GPUs, multiprocessor, and hybrid systems. Optimization goals include various combinations of...
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Computational Study of Molecular Interactions in ZnCl2(urea)2 Crystals as Precursors for Deep Eutectic Solvents
PublicationDeep eutectic solvents (DESs) are now enjoying an increased scientific interest due to their interesting properties and growing range of possible applications. Computational methods are at the forefront of deciphering their structure and dynamics. Type IV DESs, composed of metal chloride and a hydrogen bond donor, are among the less studied systems when it comes to their understanding at a molecular level. An important example...
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Energy savings by application of supercapacitor storage in trolleybus supplying station - analysis of experimental results
PublicationStorage devices can be divided into two groups: on-board energy storage devices, which are placed in the vehicles and off-board energy storage devices situated in traction substations or between them. Current research is focused mainly on two objectives. The first is to reduce the energy demand by introducing on-board energy storages in light electric vehicles like trams, trolleybuses or electrobuses. The latter is to provide a...
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Dyskretno-ciągła metoda modelowania układów dynamicznych
PublicationW artykule przedstawiono oryginalną metodę modelowania układów dyskretno-ciągłych. Metoda polega na dyskretyzowaniu układu trójwymiarowego jedynie w dwóch wybranych kierunkach. W trzecim z kierunków układ pozostaje ciągły. Otrzymany w ten sposób model jest modelem dyskretno-ciągłym. Opisany jest za pomocą równań różniczkowych cząstkowych. Ogólne równania różnicowe układu dyskretnego otrzymano, wykorzystując metodę sztywnych elementów...
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Significant Production of Thermal Energy in Partially Ionized Hyperbolic Tangent Material Based on Ternary Hybrid Nanomaterials
PublicationNanoparticles are frequently used to enhance the thermal performance of numerous materials. This study has many practical applications for activities that have to minimize losses of energy due to several impacts. This study investigates the inclusion of ternary hybrid nanoparticles in a partially ionized hyperbolic tangent liquid passed over a stretched melting surface. The fluid motion equation is presented by considering the...
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Techno-economic assessment of cooperation of hybrid renewable energy sources with hydrogen storage
PublicationThe paper presents a technical and economic analysis of the power supply for a model industrial facility with the use of the most promising renewable energy sources (RES), supported by a hydrogen energy storage. This scenario was compared with the variants of supplying the facility directly from the grid and from RES without energy storage. A strategy was proposed for powering the plant aimed at maximising self-consumption of self-generated...
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Electron-Induced Decomposition of Uracil-5-yl O-(N,N-dimethylsulfamate): Role of Methylation in Molecular Stability
PublicationThe incorporation of modified uracil derivatives into DNA leads to the formation of radical species that induce DNA damage. Molecules of this class have been suggested as radiosensitizers and are still under investigation. In this study, we present the results of dissociative electron attachment to uracil-5-yl O-(N,N-dimethylsulfamate) in the gas phase. We observed the formation of 10 fragment anions in the studied range of electron...
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Management Strategy for Seaports Aspiring to Green Logistical Goals of IMO: Technology and Policy Solutions
PublicationRecently, because of serious global challenges including the consumption of energy and climate change, there has been an increase in interest in the environmental effect of port operations and expansion. More interestingly, a strategic tendency in seaport advancement has been to manage the seaport system using a model which balances environmental volatility and economic development demands. An energy efficient management system...
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Application of multi-criteria methods to compare different solutions of supplying buildings in electricity from photovoltaic systems
PublicationNowadays, the technologies of electricity generation in distributed systems are usually associated with Renewable Energy Sources (RES). The choice of the construction site depends mainly on the availability of the power system. However, energy planning, especially in case of RES, is a complex process involving multiple and often conflicting objectives. The complexity of the selection of the electricity system is typically addressed...
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Ab Initio Study of the Electronic Spectrum of 7-Hydroxyquinoline
PublicationThe electronic spectrum of 7-hydroxyquinoline has been studied by using ab initio Multi-State Multi-Reference Møller-Plesset Second-Order Perturbation Theory (MSMRMP2). The energy range up to 6.5 eV is taken into consideration. The lowest π–π* transition is calculated to have an energy of 3.65 eV in good agreement with experimental data. Several other π–π* transitions are predicted to have excitation energies of 4.93, 5.20, 5.47,...
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Continuum contact model for friction between graphene sheets that accounts for surface anisotropy and curvature
PublicationUnderstanding the interaction mechanics between graphene layers and co-axial carbon nanotubes (CNTs) is essential for modeling graphene and CNT-based nanoelectromechanical systems. This work proposes a new continuum contact model to study interlayer interactions between curved graphene sheets. The continuum model is calibrated and validated using molecular dynamics (MD) simulations. These are carried out employing the reactive...
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Design of new cholinesterase inhibitors based on phosphorus analogs of tacrine as potential anti-Alzheimer’s disease agents
PublicationBased on the analysis of the determined free binding energy (using the AutoDock Vina 1.1.2 docking program), the most potent cholinesterase inhibitors were selected. Moreover, studies of 3D visualization of the results of molecular modeling led to the identification of potential sites for the interaction of new potential inhibitors with amino acid residues building active sites of investigated cholinesterases.
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Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen
PublicationDeep eutectic solvents (DESs) are commonly used in pharmaceutical applications as excellent solubilizers of active substances. This study investigated the tuning of ibuprofen and ketoprofen solubility utilizing DESs containing choline chloride or betaine as hydrogen bond acceptors and various polyols (ethylene glycol, diethylene glycol, triethylene glycol, glycerol, 1,2-propanediol, 1,3-butanediol) as hydrogen bond donors. Experimental...
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Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen
PublicationDeep eutectic solvents (DESs) are commonly used in pharmaceutical applications as excellent solubilizers of active substances. This study investigated the tuning of ibuprofen and ketoprofen solubility utilizing DESs containing choline chloride or betaine as hydrogen bond acceptors and various polyols (ethylene glycol, diethylene glycol, triethylene glycol, glycerol, 1,2-propanediol, 1,3-butanediol) as hydrogen bond donors. Experimental...
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Computer -Aided Local Energy Planning Using ALEP-PL Software
PublicationThe issue of energy system planning, including the planning of local energy systems, is critical, since it affects the security of energy supplies in communities, regions, and consequently the security of energy supply within the country. Energy planning is a complex process that requires integration of different goals i.e. improvement of energy efficiency, increase in the share of renewables in the energy balance and CO2} emission...