Search Results (60)
Licit and illicit drugs in waste- and environmental waters: epidemiological and environmental implications
The analysis of drug residues in waste and environmental waters offers valuable insights into the epidemiological and environmental implications of drug use. This study employs a wastewater-based epidemiology (WBE) approach to estimate the use of licit and illicit drugs and new psychoactive substances (NPS) among both general and specific populations. …
Crystal structure and phase transformations in 1D nanostructures
Metal oxide and sulfide nanostructures are a versatile family of materials with wide-ranging applications, and their development remains ongoing. In nanoscience, attention is being directed towards their synthesis and further advancement, including the creating of new complex structures and morphologies. In this regard, ion-exchange reactions have emerged as a cutting-edge …
Demand forecasting with machine learning methods
This thesis examines how machine learning can be applied in demand forecasting. In particular, it describes a novel approach toward lumpy and intermittent demand forecasting. It advocates using a two-fold model for forecasting lumpy (irregular demand occurrence, strong demand size variability) and intermittent (irregular demand occurrence, little demand size variability) …
Topology-induced phenomena and caloric effects in condensed matter
The first part of the thesis deals with the impact of surface-functionalized nanoparticles (NP) can have on the stability of liquid crystal (LC) phases. Experimental data of NP concentration-driven phase transition between the isotropic and nematic phase in 5OO8 LCs were used to create a minimal mathematical model that would …
In silico approach to understanding the mechanism of action and chemical toxicity prediction on human aromatase enzyme
Aromatase is an enzyme member of the cytochrome P450 superfamily coded by the CYP19A1 gene. Its main biological function in humans is the conversion of androgens into estrogens, transforming androstenedione into estrone and testosterone into estradiol. This enzyme is present in several tissues, and it has a key role in …
Interactions of azole molecules with copper ions and copper surfaces covered with chemisorbed H, O, Oh or Cl
In real environments, copper and other metal surfaces are never clean. Even during active dissolution in corrosion, they are likely to be covered with adsorbed corrosion-relevant species such as O, OH, H, and Cl. To explore the impact of such species on the bonding of imidazole, used herein as an …
Microstructural analysis and evaluation OF W and W/W2C composites for fusion application
Fusion technology has a great potential to safely provide an inexhaustible quantity of electricity without producing greenhouse gases and minimal hazardous waste compared to conventional energy sources, such as nuclear power plants. For materials intended for fusion plasma-facing applications, the essential properties are structural stability at elevated temperature, adequate thermal …
Validation of peptides as protein substrate models for specificity studies of cysteine cathepsins
Cysteine cathepsins are endosomal proteases that are involved in lysosomal protein degradation. Additionally, they engage in specific biological processes, like bone degradation (CatK), antigen presentation (CatS) and pro-hormone processing (CatV and CatL). Their enhanced activity was described in numerous pathological states, like cancer and viral activation, which made them promising …
Towards understanding the impact of problem landscapes in numerical black-box optimization
In optimization, it is well known that algorithm performance is dependent on the problem being solved. As a consequence of this, achieving good optimization results requires correctly matching an optimization problem to a specific optimization algorithm that performs well on that problem. For this to be possible, knowledge of both …
Synthesis and properties of anodically oxidised films on metal titanium substrate for photocatalytic applications
The link between TiO2 and photocatalysis was recognized a long time ago. However, there was originally no scientific knowledge relating to the process of photocatalysis. Given this, it is impressive that the most significant advances in the properties of TiO2 in photocatalytic processes have been made since the first reports …