Filtry
wszystkich: 216
Wyniki wyszukiwania dla: 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
PublikacjaOther 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
PublikacjaAccording 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
PublikacjaA 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
PublikacjaDapsone 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
PublikacjaMolecular 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
PublikacjaThe 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
PublikacjaEvolution 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
PublikacjaEvolution 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
PublikacjaSingle-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
PublikacjaWire 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
PublikacjaIn 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
PublikacjaHoning 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
PublikacjaHeavily 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
PublikacjaIn 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
PublikacjaThe 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
PublikacjaThe 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...