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While largely studied on the macroscopic scale, the dynamics leading to nucleation and fission processes in atmospheric aerosols are still poorly understood at the molecular level. Here, we present a joint experimental-theoretical study of a model system consisting of hydrogen-bonded ammonia and water molecules. Experimentally, the clusters were produced via adiabatic co-expansion. Double ionizati
Background: Although reproductive history is recognised to affect the risk of breast cancer, current breast cancer screening guidelines do not consider risk differences by this important factor. As there is a need for an earlier screening in women at increased risk of breast cancer, we provided evidence-based risk-adapted starting age of screening based on different reproductive profiles. Material
The roles that adventitious roots play in flooding tolerance have been well-studied in willows, while which of the maximum height of adventitious roots and the abundance of adventitious roots in willows is more important for their flooding tolerance is not well known. In this study, we analyzed the effects of adventitious roots on the flooding tolerance of Salix cavaleriei by comparing the maximum
Colorectal cancer (CRC) is the third most prevalent cancer worldwide causing an estimated 700 000 deaths annually. Different types of treatment are available for patients with advanced metastatic colorectal cancer, including targeted biological agents, such as cetuximab, a monoclonal antibody that targets EGFR. We have previously reported a study indicating multiple levels of interaction between m
Cross-sectional and experimental research have shown that task-unrelated thoughts (i.e., mind wandering) relate to sleep disturbances, but there is little research on whether this association generalizes to the day-level and other kinds of task-unrelated mentation. We employed a longitudinal daily diary design to examine the within-person and between-person associations between three self-report i
This thesis is considering various aspects of electronic transport through quantum dots, with the focus on two or three dots coupled in series.In paper I, we study the impact of electron-electron interactions on transport in a system of triple quantum dots with spin. We show that due to electron-electron scattering processes, transport is possible beyond the common single-particle transmission cha
We describe a new local grand canonical Monte Carlo method to treat fluids in pores in chemical equilibrium with a reference bulk. The method is applied to Lennard-Jones particles in pores of different geometry and is shown to be much more accurate and efficient than other techniques such as traditional grand canonical simulations or Widom's particle insertion method. It utilizes a penalty potenti
High frame rate ultrasound imaging is necessary to enable tracking of rapid dynamic events such as the carotid pulse wave velocity. Several studies have shown that it is feasible to use motion tracking methods that are applied on standard ultrasound frame rates also on very high frame rates. However, few studies have addressed the issue of accumulated tracking errors over vast numbers of frames du
Confinement or geometric frustration is known to alter the structure of soft matter, including copolymeric melts, and can consequently be used to tune structure and properties. Here we investigate the self-assembly of ABC and ABB 3-miktoarm star copolymers confined to a spherical shell using coarse-grained dissipative particle dynamics simulations. In bulk and flat geometries the ABC stars form he
The Mo/Cu-dependent CO dehydrogenase from O. carboxidovorans is an enzyme that is able to catalyse CO oxidation to CO2; moreover, it also expresses hydrogenase activity, as it is able to oxidize H2. Here, we have studied the dihydrogen oxidation catalysis by this enzyme using QM/MM calculations. Our results indicate that the equatorial oxo ligand of Mo is the best suited base for catalysis. Moreov
High-performance photodetectors operating in the near-infrared (0.75–1.4 μm) and short-wave infrared (1.4–3.0 μm) portion of the electromagnetic spectrum are key components in many optical systems. Here, we report on a combined experimental and theoretical study of square millimeter array infrared photodetectors comprising 3 million n+–i–n+ InP nanowires grown by MOVPE from periodically ordered Au
The concept of exploitation and potentially exploitative real-world practices are the subject of increasing philosophical attention. However, while philosophers have extensively debated what exploitation is and what makes it wrong, they have said surprisingly little about what might be required to remediate it. By asking how the consequences of exploitation should be addressed, this article seeks
In view of the significance, complexity, and difficulty of micromixing in viscous system, coaxial mixers with wide adaptability to viscosity are first combined with micromixing. The effects of feeding position, rotation mode, and impeller type on the micromixing performance of coaxial mixers are investigated numerically with the standard engulfment model and eddy dissipation concept model, and a d
Increase in surface water color (browning), caused by rising dissolved organic carbon (DOC) and iron concentrations, has been widely reported and studied in the last couple of decades. This phenomenon has implications to aquatic ecosystem function and biogeochemical carbon cycling. While recovery from acidification and changes in climate-related variables, such as precipitation and length of growi
Ammonia (NH3) is currently in the spotlight because of its potential in serving as an energy resource devoid of carbon. Combustion of NH3, however, presents several drawbacks, such as high ignition temperature, low flame speed, and high NOx emissions. Furthermore, although dual-fuel approaches may provide a solution for some of these problems, scarcity of information on the resulting emissions inh
