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Computational Investigations of Biomolecular Systems and Comparison with Experiments in Various Environmental ConditionsKHABIRI, Morteza January 2011 (has links)
Computational methods were used to study two different types of biological systems. The first study is related to the effect of three different organic solvents (formamide, acetone and isopropanol) on the structure and behavior of three globular proteins. These enzymes belong to the haloalkane dehalogenase family: DhaA, LinB, and DbjA. Moreover, the effect of mutation in the presence of DMSO was also investigated in two variants of DhaA; DhaA57 (L95V+A172V) and DhaA80 (Thr148Leu+Gly171Gln+Ala172Val+Cys176Phe). The simulation results showed that except for DhaA80, organic solvents entered the active site and influence its hydration. Not only the active site but also the enzyme?s hydration shell is influenced by organic molecules. The results showed that the water molecules are stripped out from the enzyme surfaces. It seems that the dual nature of organic molecules makes them favorable to solvate the enzymes. Radial Distribution Function (RDF) of the different parts of each organic molecule reveals that the behavior of each organic solvent in the vicinity of hydrophobic surfaces is similar to their behavior at the air-water interface. Structural analysis of root-mean-square-deviations (RMSD) and B-factors reveals that the flexibility of the enzymes decreased in the presence of most organic solvents, mainly in the CAP domain. Changes of other structural properties like radius of gyration and total solvent accessible surface areas are minimal. DbjA exists as a dimer and is more influenced by organic molecules. They penetrate to the amino acid network between monomers and influence their motion. The second study is the interaction of voltage-gated potassium channel Kv1.3 wild type and its mutants (Kv1.3_V388C, Kv1.3_V388C_H399T) with scorpion toxin (ChTX). Since there is no structure for Kv1.3, 94% sequence identity with Kv1.2 structure was used to make a homology model based on the Kv1.2 structure. MD structural analyses reveal that mutation of V388C changes the stability of selectivity filter by interrupting the amino acid network interactions behind the selectivity filter. The interaction of ChTX is also affected by the single mutant. ChTX is able to block wild type and double mutant channels but cannot occlude the pore entirely. Introducing the second point mutation H399T in the pore region reverts the structural changes back to the wild type. These results are entirely consistent with experimental results. Additionally, the binding energy of ChTX with the wild type mKv1.3 was investigated by the potential of mean force method, in the presence and absence of KCl solution. The results both in experiment and simulation show that, even though the unbinding process and dissociation rate is changing in the present of K+ ions, the binding energy is independent of K+ concentration. All together, the combination of computer simulations together with experiments provides new knowledge about channel-toxin interactions which could be helpful for drug design.
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Vliv opatření GAEC II na snížení odnosu sedimentů ve zvolených povodích / The influence of a control measure GAEC 2 on the sediment denuding reduction in chosen basinsHUMPÁL, David January 2013 (has links)
This diploma thesis deals with the issue of sediments (undissolved substances) and with the possibilities of reducing sediment denudation in an agricultural landscape, especially my means of GAEC 2. The principal object of the thesis is to assess the effect of GAEC 2 on sediment denudation and to propose complementary erosion control measures in a landscape of interest. The research basin of the Jenínský Brook with permanent graminaceous vegetation on its soil blocks (without GAEC 2 application) and the basin of the Budský Brook in the soil blocks of which the GEAC 2 standard is applied were chosen for this thesis. The data series of concentrations of undissolved substances and flow-rates were processed to obtain the required data. The data series were gathered from themonitoring of collection cross-sections J1, J2 (Jenínský Brook micro - basin) and collection cross-section B1 (Budský Brook micro - basin) in the hydrological years 2011 and 2012. The results obtained were compared and the causes of the resulting values including the GAEC 2 effect were established. Appropriate measures to be taken to reduce sediment denudation were proposed based on the detailed research of the basins in question.
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Vybrané parametry jakosti mléka u léčených dojnic / Selected milk quality parameters in cured cowsHRUBEŠOVÁ, Kristýna January 2014 (has links)
The work deals with the monitoring of selected indicators of milk quality including residues of inhibitory substances (RIS) in the milk of cows treated with selected groups of antibiotics. It contains an analysis of selected factors that act on these indicators. The theoretical part deals with the inhibitory substances, their effects on the human body and the processing technology. The paper describes the application of antibiotics to treat mastitis and drying off cows including factors that affect the excretion of antibiotics in milk. The legislative regulations relating to this issue are also a part of the theoretical section. The practical part is divided into three parts. The first part focuses on the characteristics observed in cows treated within selected businesses and farms. The second part is focused on the assessment of the quality parameters studied samples (fat, protein and somatic cell count) and the third part is devoted to factors that influence the presence of RIS in milk samples. In determining the quality indicators monitored in milk treated cows, it was confirmed that the protein content and static cell count (SCC) are in these cows due to disease increased and the mean value of the SCC did not correspond to a given limit legislation. When monitoring factors affecting presence RIS, it was found that the method of drug administration group and used antibiotics have influenced the presence RIS after the withdrawal period.
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Modelování příčinných podmínek látkového transportu / Modeling of mass transport causal conditionsBernsteinová, Jana January 2015 (has links)
The evidence of a flood wave passing through a catchment remains visible even for a long time after it occurs. The morphological update in the channel and floodplains, together with the processes related to the mass transport within the aquatic environment, can be regarded as flood event evidence. The advancement in hydroinformatics brought the development of numerical modeling as a tool for the solution of broad hydrological tasks. Thanks to the scenario modeling, flood events with interconnected processes can be explored in detail. This thesis is broadly focused on the mass transport initialization issue both in the polluted and clear middle-European water environments. The aim of the thesis is the evaluation of the principal issues connected with the mass transport initialization based on complex and integrated numerical modeling. The thesis brings original datasets resulting from several case studies. The aim of the thesis is also to bring a comparative study of methodological approaches evaluating the possibilities and limits regarding the accuracy of inputs vs. outputs and computational time requirements. This thesis also brings several useful comparisons and innovative solutions design. The mass transport initialization issue is solved in both balance and event-scale processed- based models....
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Svépomocné skupiny pro lidi se závislostí na návykových látkách v kraji Vysočina / Self-help Support Groups for People With Substance Abuse in Vysočina RegionPavelková, Iveta January 2017 (has links)
Network services for people who are addicted to drugs are diverse in the Czech Republic. In individual regions there is different drug situations and the availability of professional services. Substitutable and other options for individuals, who would like to do something with their addiction, can be self-help support groups. In the Czech Republic there are various self-help support groups. Best known are Alcoholics Anonymous and others similar groups, based on the same pattern. These groups are completely independent and they are not guided by experts. The theoretical part deals with problems of substance abuse, addiction, the health care system for people abuse substances or addictive behavior and finally describes the history of self-help support groups and other incurred self-help support groups. The practical part focuses on the implementation of the research focused on the effect of self-help support groups in the region and to the characteristics of their members. The research aims to map the function of self-help support groups for people with substance abuse in the region Vysočina and also describes groups and their members in terms of their characteristics and sociodemographic data. Key words: Self-help Support Groups - Anonymous Alcoholics - alcohol - drug abuse - addiction
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Hodnocení kontaminace podzemních vod v oblasti Letiště Přerov / Assessment of ground water contanination at the Přerov airportPetrula, Lubomír January 2017 (has links)
The main goal of this work is to assess ground water contamination at the Přerov airport as a consequence to oil products leakage. For this purpose a flow and transport model was created. Another goal is to create and assess several variations of unfavorable scenarios in terms of water quality. The final goal is to create a set of recommendations for the entire area.
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Uživatelé návykových látek a možnosti jejich uplatnění na trhu práce / Drug users and their potential in the labor marketMňuková, Ilona January 2016 (has links)
The employment issue of drug users in the Czech Republic is still in addiction to current research topics. Partly describe the situation in the Czech Republic as the study "Analysis of the needs of treated drug users in terms of their employability" (Miovský, 2006), or documents "Comparative analysis" and "Getting and keeping a job." Support in entering the labor market ", which arose in the context of the international project" Prague - Vienna, issue of employment and work integration of people at risk of drug addiction "(Ambrož, 2012). These studies performed SANANIM, that the drug has long worked and served primarily as a feedback for the development of services. Among the jobseekers who are registered at the Labour Office, we find a group of drug users for which it is difficult to find suitable employment and the labor market. These clients often have limited information about how they could Labour Office job search assistance. The research group, were drug users who are in the register of job seekers to contact the workplace Labour Office in Prague 10 and who voluntarily agreed to participate in research. The basic method was analysis of the needs of drug users and analysis of active employment policy measures. Data collection was conducted through semi-structured interview, adding data was...
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Inteligentní nanovlákna funkcionalizovaná růstovými faktory a krevními deriváty pro dermatologické aplikace / Intelligent nanofibres functionalized with growth factors and blood derivatives for dermatology applicationsVocetková, Karolína January 2019 (has links)
Platelet derivatives are an attractive source of natural growth factors and they are widely used in various tissue engineering and regenerative medicine applications. The aim of this study was to optimize cell culture conditions using platelet lysate and to develop platelet-functionalized fibrous scaffolds as a controlled drug delivery system for native growth factors. Fibrous scaffolds were prepared by electrostatic and centrifugal spinning of PCL and they were functionalized by the platelets by surface adhesion or their encapsulation using emulsion spinning techniques. The cell culture study determined the 7% platelet lysate to be the optimum concentration as a medium supplement in keratinocyte and fibroblast culture. Additionally, following surface adhesion of the platelets to PCL electrospun nanofibres, the platelets were activated due to their contact with the nanofibre nanotopography, resulting in formation of fibrin network. Fibrin served as a reservoir of the growth factors, prolonging the half-time of EGF release to 1.7 days. Such platelet-functionalized samples fostered proliferation of keratinocytes, fibroblasts and melanocytes. Furthermore, adhesion of platelets to centrifugally spun nanofibrous scaffolds resulted in almost two-fold increase in the amount of immobilized platelet-derived...
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Evaluace spokojenosti klientů s terénním programem No Biohazard / Evaluation of client satisfaction with harm reduction progamme No BiohazardNováková, Kristýna January 2020 (has links)
Background: In this work, I deal with adequacy of services and needs of clients within the No Biohazard program. The purpose of the evaluation is important particularly for directors and program managers. It is the directors and managers who are often asked to justify the need for their programs. Client satisfaction is believed to be a concept that is well understood by clients, the public, public authorities and other institutions that provide funding to these organizations (WHO, UNDCP & EMCDDA, 2000). Aims: The main goal was to find out the satisfaction of clients with the offered interventions offered by the No Biohazard program to clients, optionally how particular aspects of interventions could be improved. Research questions identify sources of dissatisfaction with the interventions offered. Partial goals also include finding out the level of client satisfaction with the local and time availability of No Biohazard, creating a proposal to increase the level of No Biohazard and finally designing an inventory of Harm Reduction material that could be offered to outreach program clients. Research file: The research sample is drug users who should meet the EMCDDA definition of problem drug users. I chose respondents to the research through institutions - it was an institutional selection with a...
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Ženy užívající návykové látky během těhotenství: vliv užívání návykových látek na novorozence a dlouhodobé důsledky v dětském věku. / Women using addictive substances during pregnancy: the effects of substance abuse on the prenatal and postnatal development of child.Nechanská, Blanka January 2020 (has links)
Women using addictive substances during pregnancy: the effects of substance abuse on the prenatal and postnatal development of child Blanka Nechanská Abstract Background: Substance abuse among pregnant women represents a public health issue internationally, associated with high costs to the society and at the personal level for the women and children involved. Aims: The aim of the study was to determine the basic socioeconomic characteristics of women with substance use disorder during pregnancy and selected characteristics neonatal outcomes their children. Another goal was to study the morbidity in children prenatally exposed to addictive substances by studying hospitalizations up to three years of age. Material and methods: Series of analysis within database-linkage study combining data on pregnancy and neonatal outcomes with data from in-patient treatment in CR in 2000-2014 was performed. The sample consisted of pregnant women diagnosed with substance use disorder during pregnancy and women from general population, and their children. Neonatal outcomes were gestational age, birth weight and length, preterm birth, and intrauterine growth restriction (Small-for-Gestational-Age, SGA). Information on the number of hospita- lizations, treatment time and diagnostic groups according to ICD-10 were outcomes of...
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