Filtry
wszystkich: 2191
-
Katalog
- Publikacje 1664 wyników po odfiltrowaniu
- Czasopisma 289 wyników po odfiltrowaniu
- Konferencje 82 wyników po odfiltrowaniu
- Wydawnictwa 1 wyników po odfiltrowaniu
- Osoby 34 wyników po odfiltrowaniu
- Projekty 2 wyników po odfiltrowaniu
- Kursy Online 19 wyników po odfiltrowaniu
- Wydarzenia 2 wyników po odfiltrowaniu
- Dane Badawcze 98 wyników po odfiltrowaniu
wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: COMPUTATIONAL DRUG DISCOVERY
-
Integracja międzywarstwowa protokołów RM-AODV Multicast DNS i IPv6 Neighbor Discovery w środowisku sieci standardu IEEE 802.11s
PublikacjaWraz z rozwojem bezprzewodowych technik transmisyjnych oraz wzrostem liczby i zasobów urządzeń mobilnych, wzrasta również popularność sieci bezprzewodowe o architekturze mesh, które znajdują rozliczne zastosowania w systemach dostępowych i dystrybucyjnych. W artykule przedstawiono krótką analizę efektywności działania protokołów IPv6 Neighbor Discovery oraz Multicast DNS w środowisku sieci IEEE 802.11s oraz propozycję metody jej...
-
Computational and experimental evaluation of view out according to European Standard EN17037.
PublikacjaThis paper presents an experimental evaluation of view out based on EN17037:2018 Daylight in Buildings within an educational building. The primary motivation to conduct the research was an introduction of a view out appraisal criteria by the mentioned standard. The study gives insights into the following: (i) the use of computational evaluation of an outside view according to the EN17037 criteria (ii) the use of the direct simultaneous...
-
Computational algorithm for the analysis of mechatronic systems with distributed parameter elements
PublikacjaThe paper presents a systematic computational package for analysis of complex systems composed of multiple lumped and distributed parameter subsystems. The algorithm is based on the transfer function method (DTFM). With this algorithm, a bond graph technique for the modelling is developed to simplify computations. Analysis of different systems requires only changing the inputs data in the form of the bond graph diagram
-
Comprehensive Analysis of MILE Gene Expression Data Set Advances Discovery of Leukaemia Type and Subtype Biomarkers
Publikacja -
Towards an experience based collective computational intelligence for manufacturing
PublikacjaKnowledge based support can play a vital role not only in the new fast emerging information and communication technology based industry, but also in traditional manufacturing. In this regard, several domain specific research endeavors have taken place in the past with limited success. Thus, there is a need to develop a flexible domain independent mechanism to capture, store, reuse, and share manufacturing knowledge. Consequently,...
-
Molecular modeling and evaluation of novel dibenzopyrrole derivatives as telomerase inhibitors and potential drug for cancer therapy
PublikacjaDuring previous years, many studies on synthesis, as well as on anti-tumor, anti-inflammatory and anti-bacterial activities of the pyrazole derivatives have been described. Certain pyrazole derivatives exhibit important pharmacological activities and have proved to be useful template in drug research. Considering importance of pyrazole template, in current work the series of novel inhibitors were designed by replacing central...
-
Diatomaceous earth as a drug-loaded carrier in a glass-ionomer cement
PublikacjaThe effect of a natural filler (diatomaceous earth [DE], a promising drug-delivery agent) and its content was investigated on the performance of a model glass-ionomer cement (GIC). Three sample series, differing in DE content (0, 2.5 and 5 wt%), were prepared using a commercial GIC as a matrix (3M Ketac Molar Easymix). The resultant surface microhardness and roughness, wear performance, and compressive strength of the samples were...
-
Disposition of Drugs of Abuse and Their Metabolites in Wastewater as a Method of the Estimation of Drug Consumption
Publikacja -
Determination of the chemical structure of potencial organic impurities occuring in the drug substance opopramol
PublikacjaThe tricyclic antipsychotic and antidepressant drug opipramol was examined with regard to the chemical structure of its organic impurities. Impurities were isolated from the technical product by chromatographic methods and their chemical structures were estabilished by HMNR, MS and FTIR.
-
Experimental and Computational Analysis of the Ship Propeller in Open Water Conditions for Inclined Flow
PublikacjaThe paper presents the results of computational analyses simulating the open water tests of ship propeller in inclined flow. The results of computations are compared with the results of corresponding experimental analyses carried out in the towing tank of Ship Design and Research Centre (CTO S.A.). The object of the research was the model propeller identified as CP469. The aim of the study was to validate the results of numerical...
-
Synthetic strategies in construction of organic low molecular-weight carrier-drug conjugates
PublikacjaInefficient transportation of polar metabolic inhibitors through cell membranes of eukaryotic and prokaryotic cells precludes their direct use as drug candidates in chemotherapy. One of the possible solutions to this problem is application of the ‘Trojan horse’ strategy, i.e. conjugation of an active substance with a molecular carrier of organic or inorganic nature, facilitating membrane penetration. In this work, the synthetic...
-
On the Structure of Time in Computational Semantics of a Variable-Step Solver for Hybrid Behavior Analysis
PublikacjaHybrid dynamic systems combine continuous and discrete behavior. Often, computational approaches are employed to derive behaviors that approximate the analytic solution. An important part of this is the approximation of differential equation behavior by numerical integration. The accuracy and computational efficiency of the integration usually depend on the complexity of the method and its implicated approximation errors, especially...
-
The computational complexity of the backbone coloring problem for planar graphs with connected backbones
PublikacjaIn the paper we study the computational complexity of the backbone coloring problem for planar graphs with connected backbones. For every possible value of integer parameters λ≥2 and k≥1 we show that the following problem: Instance: A simple planar graph GG, its connected spanning subgraph (backbone) HH. Question: Is there a λ-backbone coloring c of G with backbone H such that maxc(V(G))≤k? is either NP-complete or polynomially...
-
Longitudinal drug synergy assessment using convolutional neural network image-decoding of glioblastoma single-spheroid cultures
PublikacjaAbstract Background In recent years, drug combinations have become increasingly popular to improve therapeutic outcomes in various diseases, including difficult to cure cancers such as the brain cancer glioblastoma. Assessing the interaction between drugs over time is critical for predicting drug combination effectiveness and minimizing the risk of therapy resistance. However, as viability readouts of drug combination experiments...
-
Applying computational intelligence to acoustics.
PublikacjaW artykule przedstawiono przegląd wybranych zagadnień związanych z zastosowaniem metod inteligencji obliczeniowej w akustyce. Zaprezentowane metody obejmują m.in. sztuczne sieci neuronowe, zbiory przyblizone, logikę rozmytą, algorytmy genetyczne. Problematyka akustyczna dotyczy z kolei klasyfikacji dźwięków muzycznych, inteligentnego przetwarzania muzyki, inteligentnego sterowania trakturą organową oraz obiektywizacji metody oceny...
-
The Imidazoacridinone Antitumor Drug, C-1311, Is Metabolized by Flavin Monooxygenases but Not by Cytochrome P450s.
PublikacjaPrezentowane w publikacji wyniki badań mają na celu wyjaśnienie roli enzymów wątrobowych w metabolizmie przeciwnowotworowych pochodnych C-1311 oraz C-1330. Oba związki inkubowane były z frakcją mikrosomalną oraz enzymami rekombinantowymi należącymi do grypy cytochromu P450, FMO oraz UGT. Badania wykazały, że oba związki są metabolizowane przez enzymy frakcji mikrosomalnej, ale nie przez enzymy cytochromu P450. Aktywność enzymatyczna...
-
Statistical Integration of p-values for Enhancing Discovery of Radiotoxicity Gene Signatures
Publikacja -
Discovery of the First Highly Selective Antagonist of the GluK3 Kainate Receptor Subtype
Publikacja -
Method of Decision-Making Logic Discovery in the Business Process Textual Data
PublikacjaGrowing amount of complexity and enterprise data creates a need for novel business process (BP) analysis methods to assess the process optimization opportunities. This paper proposes a method of BP analysis while extracting the knowledge about Decision-Making Logic (DML) in a form of taxonomy. In this taxonomy, researchers consider the routine, semi-cognitive and cognitive DML levels as functions of BP conceptual aspects of Resources,...
-
Accidents, victims and risk levels on regional roads in pomorskie voivodeship, 2017-2019 - Alcohol and drug accidents
Dane BadawczeData contain risk classification on regional roads (voivodeship roads) in pomorskie voivodeship in 2017-2019, risk group: Offenders under influence of alcohol or drug - driver or pedestrian. Measures used to assess the level of risk are (5 classes low, low to medium, medium, medium to high, high):
-
COMPUTATIONAL MATERIALS SCIENCE
Czasopisma -
Determination of the chemical structure of potential organic impurities occurring in drug substance opipramol
PublikacjaThe tricyclic antipsychotic and antidepressant drug opipramol (opipramole) was examined with regard to the chemical structure of its organic impurities. Impurities were isolated from the technical product by chromatographic methods and their chemical structures were established by 1H NMR, MS and FTIR and further confirmed by comparison with commercially available products or with products obtained by independent synthesis, and...
-
Analysis of muscles behaviour. Part II. The computational model of muscles group acting on the elbow joint
PublikacjaThe purpose of this paper is to present the computational model of muscles' group describing the movements of flexion/extension at the elbow joint in the sagittal plane of the body when the forearm is being kept in the fixed state of supination/pronation. The method ofevaluating the muscle forces is discussed in detail. This method is the basis for the quantitative and qualitative verification of the proposed computational model...
-
Design and computational fluid dynamics analysis of the last stage of innovative gas-steam turbine
PublikacjaResearch regarding blade design and analysis of flow has been attracting interest for over a century. Meanwhile new concepts and design approaches were created and improved. Advancements in information technologies allowed to introduce computational fluid dynamics and computational flow mechanics. Currently a combination of mentioned methods is used for the design of turbine blades. These methods enabled us to improve flow efficiency...
-
Modeling of Performance, Reliability and Energy Efficiency in Large-Scale Computational Environment
PublikacjaLarge scale of complexity of distributed computational systems imposes special challanges for prediction of quality in such systems.Existing quality models for lower-scale systems include functionality,performance,reliability,flexibility and usability.Among these attributes,performance and reliability have a particular significance to the large-scale systems computing quality modeling due to their strong dependence on the system...
-
Optimized Computational Intelligence Model for Estimating the Flexural Behavior of Composite Shear Walls
PublikacjaThis article presents a novel approach to estimate the flexural capacity of reinforced concrete-filled composite plate shear walls using an optimized computational intelligence model. The proposed model was developed and validated based on 47 laboratory data points and the Transit Search (TS) optimization algorithm. Using 80% of the experimental dataset, the optimized model was selected by determining the unknown coefficients of...
-
The influence of small amount of substances present in tissue on the optical spectrum of immunosuppressive drug
PublikacjaIn this paper, we describe how commonly present in tissue substances - sodium chloride and glucose - affect the optical spectrum of an immunosuppressive drug (Cyclaid® by Apotex). Prepared samples were investigated using the spectrophotometer in the spectrum range from 250 nm to 1100 nm. The maximum wavelength shift calculated on the basis of measurement results is not bigger than the measurement wavelength step. So, it can be...
-
Modeling of Performance, Reliability and Energy Efficiency in Large-Scale Computational Environments
PublikacjaLarge scale of complexity of distributed computational systems imposes special challenges for prediction of quality in such systems. Existing quality models for lower-scale systems include functionality, performance, reliability, flexibility and usability. Among these attributes, performance and reliability have a particular significance to the large-scale systems computing quality modeling due to their strong dependence on the...
-
The Influence of the Co-Dopant Dexamethasone Phosphate on the Electrodeposition Process and Drug-Release Properties of Polypyrrole-Salicylate on Iron
PublikacjaIn this work, the influence of incorporation of two anti-inflammatory drugs dexamethasone phosphate and sodium salicylate on the electrodeposition process of polypyrrole (PPy) film on iron has been studied. The incorporation of the agents into PPy has been carried out in a one-step electropolymerization process on oxidizable iron. The role of each drug agent during the deposition process has been discussed. The morphological and...
-
Introducing a Computational Method to Retrofit Damaged Buildings under Seismic Mainshock-Aftershock Sequence
PublikacjaRetrofitting damaged buildings is a challenge for engineers, since commercial software does not have the ability to consider the local damages and deformed shape of a building resulting from the mainshock record of an earthquake before applying the aftershock record. In this research, a computational method for retrofitting of damaged buildings under seismic mainshock-aftershock sequences is proposed, and proposed computational...
-
Investigating an Optimal Computational Strategy to Retrofit Buildings with Implementing Viscous Dampers
PublikacjaCivil engineering structures may seriously suffer from different damage states re-sult of earthquakes. Nowadays, retrofitting the existing buildings is a serious need among designers. Two important factors of required performance level and cost of retrofitting play a crucial role in the retrofitting approach. In this study, a new optimal computational strategy to retrofit structures by implementing linear Viscous Dampers (VDs)...
-
Maxillary sinus aeration analysis using computational fluid dynamics
PublikacjaThe maxillary sinus aeration using the computational fluid dynamics (CFD) method based on individual adult patients’ computed tomography (CT) scans were analyzed. The analysis was based on CT images of 4 patients: one with normal nose anatomy and three with nasal septal deviation (NSD) and concha bullosa (CB). The CFD simulation was performed using the Reynolds-Average Simulation approach and turbulence closure based on linear...
-
Efficient knowledge-based optimization of expensive computational models using adaptive response correction
PublikacjaComputer simulation has become an indispensable tool in engineering design as they allow an accurate evaluation of the system performance. This is critical in order to carry out the design process in a reliable manner without costly prototyping and physical measurements. However, high-fidelity computer simulations are computationally expensive. This turns to be a fundamental bottleneck when it comes to design automation using numerical...
-
Encapsulation of an anticancer drug Isatin inside a host nano-vehicle SWCNT: a molecular dynamics simulation
PublikacjaThe use of carbon nanotubes as anticancer drug delivery cargo systems is a promising modality as they are able to perforate cellular membranes and transport the carried therapeutic molecules into the cellular components. Our work describes the encapsulation process of a common anticancer drug, Isatin (1H-indole-2,3-dione) as a guest molecule, in a capped single-walled carbon nanotube (SWCNT) host with chirality of (10,10). The...
-
Theoretical Encapsulation of Fluorouracil (5-FU) Anti-Cancer Chemotherapy Drug into Carbon Nanotubes (CNT) and Boron Nitride Nanotubes (BNNT)
PublikacjaIntroduction: Chemotherapy with anti-cancer drugs is considered the most common approach for killing cancer cells in the human body. However, some barriers such as toxicity and side effects would limit its usage. In this regard, nano-based drug delivery systems have emerged as cost-effective and efficient for sustained and targeted drug delivery. Nanotubes such as carbon nanotubes (CNT) and boron nitride nanotubes (BNNT) are promising...
-
Modeling of Imaging Mass Spectrometry Data and Testing by Permutation for Biomarkers Discovery in Tissues
Publikacja -
Cancer stem cells and escape from drug-induced premature senescence in human lung tumor cells: implications for drug resistance and in vitro drug screening models
PublikacjaBadania z użyciem modelu komórek nowotworu płuc A549 wykazały, że komórki te po traktowaniu lekami uszkadzającymi DNA zatrzymują proliferację i wchodzą w stan starzenia komórkowego. Jednak post-inkubacja tych komórek prowadzi do powrotu do stanu proliferacji małej frakcji komórek. Wykazaliśy, że frakcja ta związana jest z obecnością komórek pierwotnych nowotworu w populacji komórek A549. Powrót do stanu proliferacji komóek A549...
-
Computational fluid dynamics - lustres and shadows.
PublikacjaThe paper is devoted to the different aspects of CFD. The advantages of this concept are evident and obvious; powerfuk and effective tools bring this technology closer to the quantifiable world. However, certain weaknesses in this structure are apparent. Sometimes, a simplistic tendency towards simplifications and facilitations may degenerate and lead to negative behaviours and signs. These have not been serious up to date, but...
-
Applications of computational intelligence techqniues to acoustics
PublikacjaCelem artykułu jest przegląd wybranych zastosowań metod inteligentnych w akustyce, a w szczególności w szeroko rozumianej inżynierii dźwięku. Przedstawione badania i eksperymenty były prowadzone w oparciu o sztuczne sieci neuronowe, metodę zbiorów przybliżonych, logiką rozmytą, grafy przepływowe Pawlaka oraz algorytmy genetyczne. Rozwiązywane problemy dotyczyły klasyfikacji dźwięków muzycznych, rozpoznawania fraz muzycznych, przetwarzania...
-
Computational intelligence-aided character animation
PublikacjaW pracy przedstawiono pokrótce metody animacji komputerowej, a także podano zasady oceny jakości wyniku animacji postaci. Dodatkowo dokonano przeglądu metod inteligentnych stosowanych w animacji komputerowej i w dziedzinach pokrewnych. W badaniach skupiono się na animacji ruchu w kontekście uzyskiwanej ekspresji. Podano reguły stosowane w animacji tradycyjnej oraz wyznaczono parametry opisujące fazy ruchu w odniesieniu do poszczególnych...
-
On Computational Aspects of Greedy Partitioning of Graphs
PublikacjaIn this paper we consider a problem of graph P-coloring consisting in partitioning the vertex set of a graph such that each of the resulting sets induces a graph in a given additive, hereditary class of graphs P. We focus on partitions generated by the greedy algorithm. In particular, we show that given a graph G and an integer k deciding if the greedy algorithm outputs a P-coloring with a least k colors is NP-complete for an infinite...
-
Computational studies of a hypocycloidal electron monochromator
PublikacjaPrzeprowadzono badania hipocykolidalnego monochromatora elektronów, wykorzystując komputerowy program optyki elektronowej CPO-3D. Obliczono i przeprowadzono analizę torów elektronów w wiązce o zadanym rozmyciu kątowym przechodzącej przez monochromator. Ustalono, że rozdzielczość energetyczna monochromatora jest wyższa niż odpowiadającego mu monochromatora trochoidalnego.
-
Computational modelling of the modification of epoxy resins
PublikacjaSymulacja komputerowa właściwości fizycznych sieci żywic epoksydowych (DGEBA/DDM) modyfikowanych związkami akrylowymi przy użyciu programu Cheops® MillionZillion Software.
-
Nanosize effect of clay mineral nanoparticles on the drug diffusion processes in polyurethane nanocomposite hydrogels
PublikacjaStudies of swelling and release of naproxen sodium (NAP) solution by polyurethane nanocomposite hydrogels containing Cloisite® 30B (organically modified montmorillonite (OMMT)) have been performed. Polyurethane nanocomposite hydrogels are hybrid, nontoxic biomaterials with unique swelling and release properties in comparison with unmodified hydrogels. These features enable to use nanocomposite hydrogels as a modern wound dressing....
-
Bovine Serum Albumin – Hydroxyapatite Nanoflowers as Potential Local Drug Delivery System of Ciprofloxacin
PublikacjaIntroduction: Hybrid nanoflowers are structures consisting of organic (enzymes, proteins, nucleic acids) and inorganic components (mostly metal phosphates) with a flower-like hierarchical structure. Novel hybrid nanoflowers based on bovine serum albumin (BSA) and hydroxyapatite (HA) were obtained and characterized. Study on BSA-HA nanoflowers as potential drug delivery system is reported for the first time. Methods: Embedding ciprofloxacin...
-
Exposure to non-opioid analgesics during pregnancy and the risk of adverse drug reactions
Publikacja -
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...
-
The potential of computational methods for the categorization of architectural objects on the example of media architecture
PublikacjaThe paper presents an example of the categorization of architectural objects and assessment of the characteristics of urban space, based on the analysis of specific features of architectural objects and urban landscape. The conducted analysis refers to media architecture and is presented in the complex context of the development of media solutions. The field of influence of IT on architecture is also stressed, both on the architect’s...
-
Low-Barrier Hydrogen Bond Determines Target-Binding Affinity and Specificity of the Antitubercular Drug Bedaquiline
PublikacjaThe role of short strong hydrogen bonds (SSHB) in ligand-target binding remains largely unexplored, thereby hin- dering a potentially important avenue in the rational drug de- sign. Here, we investigate the interaction between bedaquiline (Bq), a potent anti-tuberculosis drug, and the mycobacterial ATP synthase, to unravel the role of a specific hydrogen bond to a conserved acidic residue in the target affinity and specificity....
-
Elastic-contractile model proteins: Physical chemistry, protein function and drug design and delivery
Publikacja