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Search results for: MOLECULAR MACHINES
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Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives
PublicationOther than efficacy of interaction with the molecular target, metabolic stability is the primary factor responsible for the failure or success of a compound in the drug development pipeline. The ideal drug candidate should be stable enough to reach its therapeutic site of action. Despite many recent excellent achievements in the field of computational methods supporting drug metabolism studies, a well-recognized procedure to model...
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Toward Mechanosynthesis of Diamondoid Structures: X. Commercial Capped CNT SPM Tip as Nowadays Available C2 Dimer Placement Tool for Tip-Based Nanofabrication
PublicationAccording to Drexler, advanced mechanosynthesis will employ advanced nano-machines, but advanced nano-machines will themselves be products of advanced mechanosynthesis. This circular relationship must be broken via TBN technology development. In this article, the possibility of using easily available commercial CNT tips to assemble carbon-based intermediate generations of nano-devices is considered. Mechanosynthesis of a target...
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Novel 2-(2-alkylthiobenzenesulfonyl)-3-(phenylprop-2-ynylideneamino)guanidine derivatives as potent anticancer agents – Synthesis, molecular structure, QSAR studies and metabolic stability
PublicationA series of new 2-(2-alkylthiobenzenesulfonyl)-3-(phenylprop-2-ynylideneamino)guanidine derivatives have been synthesized and evaluated in vitro by MTT assays for their antiproliferative activity against cell lines of colon cancer HCT-116, cervical cancer HeLa and breast cancer MCF-7. The obtained results indicated that these compounds display prominent cytotoxic effect. The best anticancer properties have been observed for derivatives...
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Intermolecular Interactions as a Measure of Dapsone Solubility in Neat Solvents and Binary Solvent Mixtures
PublicationDapsone is an effective antibacterial drug used to treat a variety of conditions. However, the aqueous solubility of this drug is limited, as is its permeability. This study expands the available solubility data pool for dapsone by measuring its solubility in several pure organic solvents: N-methyl-2-pyrrolidone (CAS: 872-50-4), dimethyl sulfoxide (CAS: 67-68-5), 4-formylmorpholine (CAS: 4394-85-8), tetraethylene pentamine (CAS:...
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A mobile loop order–disorder transition modulates the speed of chaperonin cycling
PublicationMolecular machines order and disorder polypeptides as they form and dissolve large intermolecular interfaces, but the biological significance of coupled ordering and binding has been established in few, if any, macromolecular systems. The ordering and binding of GroES co-chaperonin mobile loops accompany an ATP-dependent conformational change in the GroEL chaperonin that promotes client protein folding. Following ATP hydrolysis,...
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Towards Rational Biosurfactant Design—Predicting Solubilization in Rhamnolipid Solutions
PublicationThe efficiency of micellar solubilization is dictated inter alia by the properties of the solubilizate, the type of surfactant, and environmental conditions of the process. We, therefore, hypothesized that using the descriptors of the aforementioned features we can predict the solubilization efficiency, expressed as molar solubilization ratio (MSR). In other words, we aimed at creating a model to find the optimal surfactant and...
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Evolution towards simplicity in bacterial small heat shock protein system
PublicationEvolution can tinker with multi-protein machines and replace them with simpler single-protein systems performing equivalent functions in an equally efficient manner. It is unclear how, on a molecular level, such simplification can arise. With ancestral reconstruction and biochemical analysis, we have traced the evolution of bacterial small heat shock proteins (sHsp), which help to refold proteins from aggregates using either two...
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Karaś P., Kochanowicz K., Pitek M., Domański P., Obuchowski I., Tomiczek B., Liberek K.: Evolution towards simplicity in bacterial small heat shock protein system// eLife -, (2023), s.1-21
PublicationEvolution can tinker with multi-protein machines and replace them with simpler single-protein systems performing equivalent functions in an equally efficient manner. It is unclear how, on a molecular level, such simplification can arise. With ancestral reconstruction and biochemical analysis, we have traced the evolution of bacterial small heat shock proteins (sHsp), which help to refold proteins from aggregates using either...
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Tool Wear Prediction in Single-Sided Lapping Process
PublicationSingle-sided lapping is one of the most effective planarization technologies. The process has relatively complex kinematics and it is determined by a number of inputs parameters. It has been noted that prediction of the tool wear during the process is critical for product quality control. To determine the profile wear of the lapping plate, a computer model which simulates abrasive grains trajectories was developed in MATLAB. Moreover,...
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Studying the Effect of Working Conditions on WEDM Machining Performance of Super Alloy Inconel 617
PublicationWire electrical discharge machining (WEDM) has been for many years a precise and efficient non-conventional manufacturing solution in various industrial applications, mostly involving the use of hard-to machine materials like, among other, the Inconel super alloys. The focus of the present study is on exploring the effect of selected control parameters, including pulse duration, pulse-off time and the dielectric flow pressure on...
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Surface Texture after Turning for Various Workpiece Rigidities
PublicationIn the paper, we present an analysis of the surface texture of turned parts with L/D (length/diameter) ratios of 6 and 12 and various rigidity values. The studies were carried out on samples made of S355JR steel and AISI 304 stainless steel. A detailed analysis of 2D surface profiles was carried out by using a large number of parameters that allowed us to distinguish significant differences in the surface microgeometry, which confirmed...
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The Proposition of an Automated Honing Cell with Advanced Monitoring
PublicationHoning of holes allows for small shape deviation and a low value of a roughness profile parameter, e.g., Ra parameter. The honing process heats the workpiece and raises its temperature. The increase in temperature causes thermal deformations of the honed holes. The article proposes the construction of a honing cell, containing in addition to CNC honing machine: thermographic camera, sound intensity meter, and software for collecting...
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The Possibilities of Improving the Fatigue Durabilityof the Ship Propeller Shaft by Burnishing Process
PublicationHeavily loaded structural elements operating in a corrosive environment are usuallyquickly destroyed. An example of such an element is a ship propeller operating in a seawaterenvironment. This research presents a fatigue resistance test performed on elements operating inseawater. Different processing parameters applied on the samples in particular were compared withthe specimens whose surface had been burnished differently and...
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On the Dynamics of an Enhanced Coaxial Inertial Exciter for Vibratory Machines
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Dynamic Analysis of an Enhanced Multi-Frequency Inertial Exciter for Industrial Vibrating Machines
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Analysis of Roughness, the Material Removal Rate, and the Acoustic Emission Signal Obtained in Flat Grinding Processes
PublicationIn this work, the analysis of the acoustic emission (AE) signal in grinding processes is addressed. The proposed analysis method decomposes the acoustic signal into three frequency ranges. The total energy of each range is determined, as well as the highest frequency. Different grinding experiments were carried out, according to a full factorial design of experiments (DOE), in which feed speed, depth of cut, and transversal step...
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Prediction of Stress and Deformation Caused by Magnetic Attraction Force in Modulation Elements in a Magnetically Geared Machine Using Subdomain Modeling
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Properties of Cutting Tool Composite Material Diamond–(Fe–Ni–Cu–Sn) Reinforced with Nano-VN
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USEFULNESS OF SEMI-MARKOV PROCESSES AS MODELS OF THE OPERATION PROCESSES FOR MARINE MAIN ENGINES AND OTHER MACHINES OF SHIP POWER PLANTS
PublicationThe paper describes the properties of semi-Markov processes and the opportunities and benefits from their use as models of the operation processes for marine combustion engines and other machines of ship power plants. The emphasis is put on the importance of the theory of semi-Markov processes for development of the theory of marine combustion engines and other machines of ship power plants, as well as for development of the operational...
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Scheduling of compatible jobs on parallel machines
PublicationThe dissertation discusses the problems of scheduling compatible jobs on parallel machines. Some jobs are incompatible, which is modeled as a binary relation on the set of jobs; the relation is often modeled by an incompatibility graph. We consider two models of machines. The first model, more emphasized in the thesis, is a classical model of scheduling, where each machine does one job at time. The second one is a model of p-batching...
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Energy Loss Coefficients ki in a Displacement Pump and Hydraulic Motor used in Hydrostatic Drives
PublicationThe article aims at defining and analysing the energy loss coefficients in design solutions of rotating displacement machines, with a piston machine as an example. The energy losses observed in these machines include mechanical loss, volumetric loss, and pressure loss. The scale and relations between these losses in different machines depend on machine design and manufacturing quality, and on operating parameters. The operating...
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A graph coloring approach to scheduling of multiprocessor tasks on dedicated machines with availability constraints
PublicationWe address a generalization of the classical 1- and 2-processor unit execution time scheduling problem on dedicated machines. In our chromatic model of scheduling machines have non-simultaneous availability times and tasks have arbitrary release times and due dates. Also, the versatility of our approach makes it possible to generalize all known classical criteria of optimality. Under these stipulations we show that the problem...
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A review on analytical models of brushless permanent magnet machines
PublicationThis study provides an in-depth investigation of the use of analytical and numerical methods in analyzing electrical machines. Although numerical models such as the finite-element method (FEM) can handle complex geometries and saturation effects, they have significant computational burdens, are time-consuming, and are inflexible when it comes to changing machine geometries or input values. Analytical models based on magnetic equivalent...
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Maszyny elektryczne wokół nas. Poszukiwanie dróg do nauczania na kierunku Elektrotechnika Politechniki Gdańskiej = Electrical machines around us. searching for teaching ways at electrical engineering of the Gdansk University of Technology
PublicationStreszczenie angielskie: This paper provides a summary of the didactic assumptions, goals and approach concerning the syllabus and description/modelling of electrical machines (EM) for teaching in the field of power electrical engineering at the Gdansk University of Technology. They have been used to write e-text book entitled "Electrical machines around us" that covered the lectures on electrical machines given for the second...
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Ecology In Tribology: Selected Problems of Eliminating Natural Oil-Based Lubricants from Machine Friction Couples
PublicationThe elimination of mineral oil-based lubricants from machines has multiple beneficial effects on the natural environment. Firstly – these lubricants are a direct threat to the environment in the event of leaks; secondly – their elimination reduces the demand for crude oil from which they are obtained. In addition, in many cases, e.g. when replacing traditional lubricants with water, friction losses in the bearings can also be reduced...
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Multi-objective Tabu-based Differential Evolution for Teleportation of Smart Virtual Machines in Private Computing Clouds
PublicationWe propose a multi-objective approach for using differential evolution algorithm with tabu search algorithm as an additional mutation for live migration (teleportation) of virtual machines. This issue is crucial in private computing clouds. Teleportation of virtual machines is supposed to be planned to determine Pareto-optimal solutions for several criteria such as workload of the bottleneck host, communication capacity of the...
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Scheduling on Uniform and Unrelated Machines with Bipartite Incompatibility Graphs
PublicationThe problem of scheduling jobs on parallel machines under an incompatibility relation is considered in this paper. In this model, a binary relation between jobs is given and no two jobs that are in the relation can be scheduled on the same machine. We consider job scheduling under the incompatibility relation modeled by a bipartite graph, under the makespan optimality criterion, on uniform and unrelated machines. Unrelated machines...
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Metodyka badań rozwojowych nowego typu silników i pomp satelitowych
PublicationResearch and development of new type satellite motors and satellite pumps SM with small geometrical displacement, from 5 to 73 cm3/rev, has been conducted in cooperation with Stosowanie Maszyn company from Katowice (manufacturer of motors and pump SM). The improvement of construction of those machines, especially construction of axial compensation and construction of fluid distribution channels have been the main problem of research...
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Total Completion Time Minimization for Scheduling with Incompatibility Cliques
PublicationThis paper considers parallel machine scheduling with incompatibilities between jobs. The jobs form a graph equivalent to a collection of disjoint cliques. No two jobs in a clique are allowed to be assigned to the same machine. Scheduling with incompatibilities between jobs represents a well-established line of research in scheduling theory and the case of disjoint cliques has received increasing attention in recent...
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Diagnosis of bearing damage in induction motors by instantaneous power analysis
PublicationResearch of the machine with simulated bearing damages has been carried out, where variable load torque, simulating bearing damage, was introduced. The results show that components which can be used for bearings diagnosis appear in the spectrum of the product of current and supply voltage instantaneous values. These components are easier to identify than the components of current spectrum, which have been used so far in diagnostic...
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Scheduling of identical jobs with bipartite incompatibility graphs on uniform machines. Computational experiments
PublicationWe consider the problem of scheduling unit-length jobs on three or four uniform parallel machines to minimize the schedule length or total completion time. We assume that the jobs are subject to some types of mutual exclusion constraints, modeled by a bipartite graph of a bounded degree. The edges of the graph correspond to the pairs of jobs that cannot be processed on the same machine. Although the problem is generally NP-hard,...
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An innovative approach to the forecasting of energetic effects while wood sawing
PublicationIn the classical approach, energetic effects (cutting forces and cutting power) of wood sawing process are generally calculated on the basis of the specific cutting resistance, which is in the case of wood cutting the function of more or less important factors. On the other hand, the cutting forces (power) problem may be tackled with an innovative, up-to-date fundamental analysis of the mechanics of sawing based on modern fracture...
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An Innovative Approach to the Forecasting of Energetic Effects While Wood Sawing
PublicationIn the classical approach, energetic effects (cutting forces and cutting power) of wood sawing process are generally calculated on the basis of the specifi c cutting resistance, which is in the case of wood cutting the function of more or less important factors. On the other hand, the cutting forces (power) problem may be tackled with an innovative, up-to-date fundamental analysis of the mechanics of sawing based on modern fracture mechanics....
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Diagnostics of commutation unit in satellite pumps and motors
PublicationThe article describes a part of the research on the development of satellite pumps and motors, conducted on Gdansk University of Technology as a part of grant "New elaborate of hydraulic satellite machines for drives with vegetable liquids and non-flammable liquids" (LIDER/35/102/L-2/10/NCBiR/2011) funded by the National Centre for Research and Development in Poland. The presented area includes the diagnostics of commutation units...
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Diagnostics of commutation unit in satellite pumps and motors
PublicationThe article describes a part of the research on the development of satellite pumps and motors, conducted on Gdansk University of Technology as a part of grant "New elaborate of hydraulic satellite machines for drives with vegetable liquids and non-flammable liquids" (LIDER/35/102/L-2/10/NCBiR/2011) funded by the National Centre for Research and Development in Poland. The presented area includes the diagnostics of commutation units...
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Satellite pump and motor
PublicationThe article describe the design and operation of a prototype of satellite pump and a prototype of satellite motor. In both machines, the operating mechanism consists of a non-circular gear with external teeth (rotor), non-circular gear with internal teeth (curvature), and ten gear wheels which cooperate with the rotor and the curvature. The differences between the commutation unit in the pump and the commutation unit in the motor...
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Task Scheduling – Review of Algorithms and Analysis of Potential Use in a Biological Wastewater Treatment Plant
PublicationThe idea of task scheduling is to increase the efficiency of a system by minimising wasted time, evenly loading machines, or maximising the throughput of machines. Moreover, the use of appropriate scheduling algorithms often leads to a reduction in the energy costs of the process. Task scheduling problems are found in a variety of industrial areas, and their scale changes significantly depending on the problem. This review shows...
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A Measurement-Based Approach for Speed Control of Induction Machines
PublicationThis paper presents an approach to design a measurement-based controller for induction machines. The proposed control approach is motivated by the fact that developing an appropriate mechanical model of such induction machines is a challenging task. Since our proposed control methodology is only on the basis of measured data, the controller design does not require any information about the model of the mechanical part. The control...
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A Strategy for Managing the Operation of Technical Infrastructure Based on the Analysis of “Bad Actors”—A Case Study of LOTOS Group S.A.
PublicationThe article covers issues related to the selection of a management strategy for the operation of technical infrastructure. It contains the approaches, methodology and a general model of the system of operation of the Maintenance Services of the LOTOS Group production company, which is an example of a large oil concern. Nowadays, an increasing aspect is put on the efficiency of individual repair processes, as well as the operation...
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Efficiency Evaluation of High Performance Computing Systems Using Data Envelopment Analysis
PublicationThe paper presents an evaluation method of high performance computing (HPC) systems using multicriteria efficiency analysis. The Data Envelopment Analysis approach was applied and adapted to the specifics of HPC, which enabled us to compare relative efficiency of systems considering simultaneously multiple parameters. The analysis is based on the TOP500 list of world largest supercomputers and their parameters such as: the number...
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Determination of Liquid Detergent Pods as a Potential Microplastic Source
PublicationWashing pods became a popular way to add detergent to washing machines. Despite the claims about the degradability of the pod film, the sludge in pipes can be observed after the usage of such pods. This study focused on a quantitative and qualitative analysis of washing pod films as a source of microplastic.
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Should we seek further improvement of fluid film bearings - what for and how?
PublicationFluid film bearings have been extensively used in the industry because of their unbeatable durability and extremely low friction coefficient. Large bearings supporting shafts of huge and important rotating machines constitute a special group of fluid film bearings since the reliability of crucial systems, like for example electro-energetic system, rely on their trouble-free operation. Large thrust bearings, apart from enormous...
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Sensorless control system of induction machine supplied by voltage source inverter with output filter
PublicationThe paper focuses on sensorless control of the induction machines supplied by inverter with the output filters. “The novel” idea of the speed observer which is based on the backstepping approach is shown. The standard structure of the exponential observer is extended by the integrators and additional Z vector. The simulation and experimental results validate the proposed solution.
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Turbomachinery - Background
PublicationThe "Turbomachinery - Background" is the first part of a series of monographs devoted to different aspects of rotating machines. The book presents the main fundamentals which are necessary for the different problems of steam, gas, wind and water turbines as well as pumps, compressors and propellers which will discussed in detail in the subsequent parts of the series.
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Microgrinding with single-disk lapping kinematics.
PublicationGrinding operations are carried out with a variety of tool-workpiece configurations. The selection of a grinding process for a particular application depends on part shape, part size, ease of fixture, requirements concerning the acceptable shape errors. It is evident that lapping is very effective in eliminating the waviness while surface grinding is not. Dual disk machines for the double face grinding with planetary kinematics...
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Approximation algorithms for job scheduling with block-type conflict graphs
PublicationThe problem of scheduling jobs on parallel machines (identical, uniform, or unrelated), under incompatibility relation modeled as a block graph, under the makespan optimality criterion, is considered in this paper. No two jobs that are in the relation (equivalently in the same block) may be scheduled on the same machine in this model. The presented model stems from a well-established line of research combining scheduling theory...
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Generative Process Planning with Reasoning based on Geometrical Product Specification
PublicationThe focus of this paper is on computer aided process planning for parts manufacture in systems of definite process capabilities, involving the use of multi-axis machining centers for parts shaping and grinding machines for finishing. It presents in particular a decision making scheme for setup determination as a part of generative process planning. The planning procedurę consists of two stages. The first stage is associated with...
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Technological Problems in Lapping on Flat Surfaces of Ceramic Parts
PublicationThis paper will present the results of research on single-disc lapping of flat surfaces of small ceramic elements. Machining with the use of different tools such as metallic, two-metallic and abrasive-metallic will be analyzed. The basics and techniques of reinforcement of laps will be discussed. The results of the influence of parameters on the surface quality of ceramic conponents (sealing) for three treatments on lapping machines...
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Sensorless Control of Induction Machine Supplied by Current Source Inverter
PublicationThe paper describes the voltage control technique of induction machines supplied by a current source inverter. The control system is based on proposed new multi-scalar variables, which are named “r.” The control system contains the output filter capacitor's model. In the sensorless control system the Z type backstepping speed observer was applied. The mathematical dependences are confirmed by simulation and experimental research.
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Current Source Inverter Fed Drive
PublicationThis book covers three-phase and multiphase (more than three-phase) motor drives including their control and practical problems faced in the field (e.g., adding LC filters in the output of a feeding converter), are considered. The new edition contains links to Matlab®/Simulink models and PowerPoint slides ideal for teaching and understanding the material contained within the book. Readers will also benefit from the inclusion of: A...