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Hydrogen bonding interactions between biological chromophores and their surrounding protein and solvent environment significantly affect the photochemical pathways of the chromophore and its biological function. A common first step in the…
The mechanism of reversible photodegradation of 1-substituted aminoanthraquinones doped into poly(methyl methacrylate) and polystyrene is investigated. Time-dependent density functional theory is employed to predict the transition energies…
We study the transfer of spectral weight in the optical spectra of a strongly correlated electron system as a function of temperature and interaction strength. Within a dynamical mean field theory of the Hubbard model that becomes exact in…
The aim of the presented work is to analyze the impact of experimentally evaluated reactions of hydrogen abstraction on surfaces of interstellar grains on the chemical evolution of methanol and its precursors on grains and in the gas phase…
Enhancement, followed by segmentation, quantification and modelling, of blood vessels in retinal images plays an essential role in computer-aid retinopathy diagnosis. In this paper, we introduce a new vessel enhancement method which is the…
Due to the potential impact on the diagnosis and treatment of various cardiovascular diseases, work on the rheology of blood has significantly expanded in the last decade, both experimentally and theoretically. Experimentally, blood has…
The variation of blood flow characteristics caused by the probe pressure during noninvasive studies is of particular interest within the context of fundamental and applied research. It has been shown previously that the weak local pressure…
We report the effect of germanium as n-type dopant on the electrical and optical properties of AlxGa1-xN layers grown by plasma assisted molecular-beam epitaxy. The Al content has been varied from x = 0 to 0.66, confirmed by Rutherford…
Machine learning has been successfully used in critical domains, such as medicine. However, extracting meaningful insights from biomedical data is often constrained by the lack of their available disease labels. In this research, we…
In this work, we report an alcohol-induced surface charging route of colloidal QDs to achieve controllable electrophoretic deposition processing. By adding a fixed amounts of alcohols into a preformed quantum dots solution in non-polar…
Methylene blue (MB) is often used in textile industries and is actively present in the wastewater runs-off. Recently, mediated electrochemical oxidation (MEO) offers a fast, reliable and promising results for environmental remediation.…
In this work we report on photochromism in transparent thin film samples of oxygen-containing yttrium hydride. Exposure to visible and ultraviolet (UV) light at moderate intensity triggers a decrease in the optical transmission of visible…
AES VHF inductively coupled plasmatron may be applied to wide range of studies. It enables rapid microanalysis of various solutions including biological objects and peripheral blood serum. In addition, it may be used for investigation of…
Myoglobin modulates the binding of diatomic molecules to its heme group via hydrogen-bonding and steric interactions with neighboring residues, and is an important benchmark for computational studies of biomolecules. We have performed…
Isothermal-isobaric molecular dynamics simulations are used to examine the microscopic structure and some properties of water-methanol liquid mixture. The TIP4P/2005 and SPC/E water models are combined with the united atom TraPPE and the…
Although complex, hierarchical nanoscale geometries with tailored degrees of disorder are commonly found in biological systems, few simple self-assembly routes to fabricating synthetic analogues have been identified. We present two…
The influence of decoherence and bonding on the linear conductance of single double-stranded DNA molecules is examined by fitting a phenomenological statistical model developed recently (EPJB {\bf 68}, 237 (2009)) to experimental results.…
Phase behavior of liquid crystals is of long-standing interest due to numerous applications, with one of the key issues being how the presence of impurities affects the liquid crystalline order. Here we study the orientational order of…
The impact of hydration on the reorientational dynamics of the deep eutectic solvent (DES) ethaline, a 2:1 molar mixture of ethylene glycol and choline chloride was studied. Its overall response was explored by means of shear mechanical…
The synthesis of the photochromic YHO films is based on the oxidation of deposited yttrium hydride in ambient conditions. The actual state of the films during the deposition process, which is influenced by the deposition pressure and the…