Design of experiment Dotaz Zobrazit nápovědu
In the presented work, poly(3-hydroxybutyrate)-PHB-based composites for 3D printing as bio-sourced and biodegradable alternatives to synthetic plastics are characterized. The PHB matrix was modified by polylactide (PLA) and plasticized by tributyl citrate. Kaolin particles were used as a filler. The mathematical method "Design of Experiment" (DoE) was used to create a matrix of samples for further evaluation. Firstly, the optimal printing temperature of the first and upper layers was determined. Secondly, the 3D printed samples were tested with regards to the warping during the 3D printing. Testing specimens were prepared using the determined optimal printing conditions to measure the tensile properties, impact strength, and heat deflection temperature (HDT) of the samples. The results describe the effect of adding individual components (PHB, PLA, plasticizer, and filler) in the prepared composite sample on the resulting material properties. Two composite samples were prepared based on the theoretical results of DoE (one with the maximum printability and one with the maximum HDT) to compare them with the real data measured. The tests of these two composite samples showed 25% lower warping and 8.9% higher HDT than was expected by the theory.
- Klíčová slova
- 3D printing, Design of Experiment, FDM, PHB, composite, kaolin,
- MeSH
- 3D tisk * MeSH
- kaolin * MeSH
- polyestery MeSH
- pomocné látky MeSH
- vysoká teplota MeSH
- Publikační typ
- časopisecké články MeSH
- Názvy látek
- kaolin * MeSH
- polyestery MeSH
- pomocné látky MeSH
BACKGROUND AND OBJECTIVE: The prevalence of pelvic floor muscle injuries induced by childbirth is higher than 23 % in the general women population. Such injuries can lead to prolapses and other pathologies in future female life. Leveraging computational biomechanics, the study implements an advanced female pelvic floor model for computing the maximum pelvic muscle strain, which serves as an injury risk indicator. The design of experiment method, abbreviated as DoE, is used to compute the maximum strain for boundary values of bony pelvis dimensions, namely the anterior-posterior diameter (abbreviated as APD) and the transverse diameter (abbreviated as TD). This is done in combination with small, medium and large percentiles of fetal head circumference (abbreviated as HC). METHODS: We utilized a previously developed finite element model of a female pelvic floor, as a reference, and enhanced it with new features, including a more detailed tissue geometry and advanced constitutive material models. The APD and TD dimensions were sourced from the set of MRI of 64 nulliparous women. This data was used to estimate the boundary dimensions of the female bony pelvis, combining both small and large values of APD and TD. Together with the 10th and the 95th percentiles for HC, a three-dimensional domain was constructed to assess the maximum pelvic muscle strain. In boundary cases, the maximum pelvic muscle strain was computed across 8 full-factorial design models (each situated at one corner of the domain, thereby combining the minimum and the maximum values of APD, TD and HC). This was done to define a response surface that predicts the maximum pelvic muscle strain within the domain. The accuracy of this response surface prediction was validated using 15 additional intermediate design models. These models were placed at the center of the domain (1 point), the centres of the domain boundary surfaces (6 points), and midway along each domain boundary edge (8 points). RESULTS: The maximum strain results for 8 combinations of APD, TD, and HC were employed to construct a linear response surface as a function of APD, TD, and HC. Tests at an additional 19 domain points served to evaluate the efficiency of the response surface prediction. The response surface demonstrated strong predictability, with an absolute average error of 1.52 %, an absolute median error of 1.52 %, and an absolute maximum error of 11.11 %. HC emerged as the most influencing dimension, accounting for 16 % of influence. CONCLUSIONS: The reference finite element pelvic floor model was scaled to 8 full-factorial female-specific pelvic floor models, which represent the combination of boundary values for APD, TD, and HC. The maximum pelvic floor muscle strain from these 8 models was used to design a response surface. When implementing the DoE approach to construct the response, there was consistent predictability for the maximum perineal muscle strain, as validated by the additional 19 intermediate design models. As a result, the response surface methodology can serve as an initial predictor for potential childbirth-induced pelvic floor muscle injury.
- Klíčová slova
- Childbirth, Computational biomechanics, Design of experiment, Injury,
- MeSH
- kosterní svaly diagnostické zobrazování MeSH
- lidé MeSH
- magnetická rezonanční tomografie MeSH
- pánevní dno diagnostické zobrazování fyziologie MeSH
- porod * fyziologie MeSH
- těhotenství MeSH
- vedení porodu * MeSH
- Check Tag
- lidé MeSH
- těhotenství MeSH
- ženské pohlaví MeSH
- Publikační typ
- časopisecké články MeSH
The possibility of sagittally focusing synchrotron radiation using an asymmetric Laue crystal with profiled surfaces has been experimentally demonstrated for the first time. The sample was a Si single crystal with two parallel cylindrical holes of diameter 8 mm. The axes of the holes formed an angle of 7.95 degrees with the (111) diffracting planes and were arranged vertically with respect to the diffracting planes. 15.35 keV synchrotron radiation was diffracted in the space between the holes. The minimum thickness of this Laue crystal was 0.5 mm. The diffracted beam formed an angle of 0.55 degrees with the exit surface. The experiment was performed at beamline BM05 at the ESRF. The length of the beamline was not sufficiently long to detect the focus, but the experiment clearly showed that the diffracted beam was sagittally convergent.
- MeSH
- čočky * MeSH
- design vybavení MeSH
- křemík chemie MeSH
- krystalizace MeSH
- optika a fotonika * MeSH
- radiometrie MeSH
- refraktometrie MeSH
- rentgenové záření MeSH
- synchrotrony * MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- Názvy látek
- křemík MeSH
This paper describes possible ways of prediction of nitrogen oxides formation during combustion of hydrocarbon fuels. Mathematical model based on experimental data acquired from the testing facility has been developed. The model enables to predict--at a high probability measure--the extent of nitrogen oxides emissions. The mathematical model of nitrogen oxide formation relies on the application of simplified kinetic equations describing the formation of nitrogen oxides at so-called equivalent temperature. It is a semi-empirical model that comes out of experimental knowledge. An important role played by the burner design itself has been emphasized and therefore an important supplementary parameter of the model is the characteristic of the burner design. It has been established that there was a good agreement between experimental data and those calculated by the application of the model to various conditions marked out by different combustion parameters in the combustion chamber. The results obtained by application of the model respect the influence of parameters validated by industrial practice that control the formation of nitrogen oxides in the course of fuel combustion. Such parameters-first of all-tare the temperature in the combustion chamber and the concentration of the substances taking part in the reaction. By application of the model, it is possible to assess the consequence of, for example the surplus of combustion air, the increase of temperature of combustion air, the supply of inert gas, etc. on the nitrogen oxides emissions of the operating burner under evaluation. Efficient combining of experience and sophisticated approach together with importance of thus access for an improved design are shown.
Electromagnetic (EM) radiation is everywhere in this world and galaxy in different forms and levels. In some cases, human beings need to protect themselves from electromagnetic radiations and the same thing is also recommended for electronic devices as well. Lots of studies are there on the shielding of electromagnetic radiation interference using metals, polymers, and minerals. For protecting the human being, textile structures are playing the main role. In the textile material structure itself many types are there; each one is having its unique geometrical shape and design. In this work, the copper/nickel-coated ultrathin nonwoven fabric is prepared like a strip. The 3, 6, and 9 mm thick strips are prepared and laid at different gaps, angles, and layered to study the effect of factors on EM shielding effectiveness as per ASTM D4935-10 standard. The design of experiment has been done to analyze the three factors and three levels of the strip properties having an influence on electromagnetic shielding results. From the findings of the design of experiment (DoE) screening design, the factors are the thickness of the strips, the gap between the strips, and the strips laid angle having a statistically significant effect on electromagnetic shielding effectiveness.
- Klíčová slova
- copper-nickel coating, design of experiment, electromagnetic shielding, textile material, ultrathin nonwoven,
- Publikační typ
- časopisecké články MeSH
To study the microvessels in bulbar conjunctiva, we conducted an experiment in goat with a pneumatically driven left heart bypass pump, which was replaced with an undulation pump-left ventricle assist device for 9 days. Three flow patterns were tested: complete pulsatile, continuous, and percentage of pulsatile. We studied the morphology of arterioles and venules of the bulbar conjunctiva using photograph records. The setting up of continuous flow caused global vasoconstriction (significant in venules-P < 0.05). During the pumping in the pulsatile and percentage of pulsatile modes, no significant changes of microvessel morphology were observed. The findings described could point to some disturbances in the microcirculatory bed in conditions of continuous flow.
Quantum mechanical (QM) methods have been gaining importance in structure-based drug design where a reliable description of protein-ligand interactions is of utmost significance. However, strategies i. e. QM/MM, fragmentation or semiempirical (SQM) methods had to be pursued to overcome the unfavorable scaling of QM methods. Various SQM-based approaches have significantly contributed to the accuracy of docking and improvement of lead compounds. Parametrizations of SQM and implicit solvent methods in our laboratory have been instrumental to obtain a reliable SQM-based scoring function. The experience gained in its application for activity ranking of ligands binding to tens of protein targets resulted in setting up a faster SQM/COSMO scoring approach, which outperforms standard scoring methods in native pose identification for two dozen protein targets with ten thousand poses. Recently, SQM/COSMO was effectively applied in a proof-of-concept study of enrichment in virtual screening. Due to its superior performance, feasibility and chemical generality, we propose the SQM/COSMO approach as an efficient tool in structure-based drug design.
- Klíčová slova
- in silico drug design, protein-ligand binding, quantum mechanics, semiempirical methods, virtual screening,
- MeSH
- kvantová teorie * MeSH
- ligandy MeSH
- molekulární struktura MeSH
- proteiny chemie MeSH
- racionální návrh léčiv * MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- přehledy MeSH
- Názvy látek
- ligandy MeSH
- proteiny MeSH
A novel strategy is presented for designing peptides with specific metal-ion chelation sites, based on linking computationally predicted ion-specific combinations of amino acid side chains coordinated at the vertices of the desired coordination polyhedron into a single polypeptide chain. With this aim, a series of computer programs have been written that 1) creates a structural combinatorial library containing Zi-(X)n-Zj sequences (n=0-14; Z: amino acid that binds the metal through the side chain; X: any amino acid) from the existing protein structures in the non-redundant Protein Data Bank; 2) merges these fragments into a single Z1-(X)n1 -Z2-(X)n2 -Z3-(X)n3 -...-Zj polypeptide chain; and 3) automatically performs two simple molecular mechanics calculations that make it possible to estimate the internal strain in the newly designed peptide. The application of this procedure for the most M2+-specific combinations of amino acid side chains (M: metal; see L. Rulísek, Z. Havlas J. Phys. Chem. B 2003, 107, 2376-2385) yielded several peptide sequences (with lengths of 6-20 amino acids) with the potential for specific binding with six metal ions (Co2+, Ni2+, Cu2+, Zn2+, Cd2+ and Hg2+). The gas-phase association constants of the studied metal ions with these de novo designed peptides were experimentally determined by MALDI mass spectrometry by using 3,4,5-trihydroxyacetophenone as a matrix, whereas the thermodynamic parameters of the metal-ion coordination in the condensed phase were measured by isothermal titration calorimetry (ITC), chelatometry and NMR spectroscopy methods. The data indicate that some of the computationally predicted peptides are potential M2+-specific metal-ion chelators.
- MeSH
- magnetická rezonanční spektroskopie MeSH
- molekulární modely MeSH
- molekulární sekvence - údaje MeSH
- peptidy chemie MeSH
- proteiny chemie MeSH
- sekvence aminokyselin MeSH
- spektrometrie hmotnostní - ionizace laserem za účasti matrice MeSH
- terciární struktura proteinů MeSH
- termodynamika MeSH
- těžké kovy chemie MeSH
- vazba proteinů MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- Názvy látek
- peptidy MeSH
- proteiny MeSH
- těžké kovy MeSH
Nanosized drug crystals have been reported with enhanced apparent solubility, bioavailability, and therapeutic efficacy compared to microcrystal materials, which are not suitable for parenteral administration. However, nanocrystal design and development by bottom-up approaches are challenging, especially considering the non-standardized process parameters in the injection step. This work aims to present a systematic step-by-step approach through Quality-by-Design (QbD) and Design of Experiments (DoE) for synthesizing drug nanocrystals by a semi-automated nanoprecipitation method. Curcumin is used as a drug model due to its well-known poor water solubility (0.6 µg mL-1, 25 °C). Formal and informal risk assessment tools allow identifying the critical factors. A fractional factorial 24-1 screening design evaluates their impact on the average size and polydispersity of nanocrystals. The optimization of significant factors is done by a Central Composite Design. This response surface methodology supports the rational design of the nanocrystals, identifying and exploring the design space. The proposed joint approach leads to a reproducible, robust, and stable nanocrystalline preparation of 316 nm with a PdI of 0.217 in compliance with the quality profile. An orthogonal approach for particle size and polydispersity characterization allows discarding the formation of aggregates. Overall, the synergy between advanced data analysis and semi-automated standardized nanocrystallization of drugs is highlighted.
- Klíčová slova
- design space, nanocrystals, orthogonal characterization, response surface methodology, solvent–antisolvent precipitation,
- MeSH
- automatizace MeSH
- krystalizace MeSH
- kurkumin chemie MeSH
- léčivé přípravky chemie MeSH
- nanočástice * chemie MeSH
- velikost částic MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- Názvy látek
- kurkumin MeSH
- léčivé přípravky MeSH
AIM: To provide pharmacogenomics reporting guidelines, the information and tools required for reporting to public omic databases. MATERIAL & METHODS: For effective DMET data interpretation, sharing, interoperability, reproducibility and reporting, we propose the Minimum Information required for a DMET Experiment (MIDE) reporting. RESULTS: MIDE provides reporting guidelines and describes the information required for reporting, data storage and data sharing in the form of XML. CONCLUSION: The MIDE guidelines will benefit the scientific community with pharmacogenomics experiments, including reporting pharmacogenomics data from other technology platforms, with the tools that will ease and automate the generation of such reports using the standardized MIDE XML schema, facilitating the sharing, dissemination, reanalysis of datasets through accessible and transparent pharmacogenomics data reporting.
- Klíčová slova
- DMET, bioinformatics, minimum information requirement guidelines, personalized genomics, personalized medicine, pharmacogenomics, standardization,
- MeSH
- farmakogenetika * MeSH
- interpretace statistických dat MeSH
- lidé MeSH
- šíření informací MeSH
- výzkumný projekt * MeSH
- Check Tag
- lidé MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- Research Support, N.I.H., Extramural MeSH
