Search results for "GOLD"

Elucidating the ligand shell structure and dynamics of Au683MBA32 gold nanocluster using molecular dynamics simulations

2017

Synthesising novel gold nanoparticles and -clusters can be often easier than characterising them, and after experimental analysis many options for the possible molecular formula of the cluster may remain as equally valid options. These options may be investigated by quantum computational means, such as density functional theory, but since DFT includes the electronic interactions, this might take time and excessive effort if the amount of options is large. In this thesis a new way of easing the computational task is introduced by a novel method, that combines a guessing algorithm and molecular dynamics simulations. The algorithm produces possible structures by utilising existing structures o…

Computational Criteria for Hydrogen Evolution Activity on Ligand-Protected Au25-Based Nanoclusters

2023

The hydrogen evolution reaction (HER) is a critical reaction in addressing climate change; however, it requires catalysts to be generated on an industrial scale. Nanomaterials offer several advantages over conventional HER catalysts, including the possibility of atomic precision in tailoring the intrinsic activity. Ligand-protected metal clusters, such as the thiolate-protected MAu24(SR)18 (where M is Au, Cu, Pd), are of particular interest as not only are they electrocatalytically active toward HER, but the charge state and composition can be precisely tuned. Here, we present a comprehensive computational study examining how the charge state and dopants affect the catalytic activity of [MA…

The impact of financial crises on co-movements between commodity futures and equity prices : evidence from crude oil and gold markets

2017

Omaisuusluokkien välisillä korrelaatioilla on tärkeä rooli sijoitussalkun hajautusta ajatellen. Omaisuuslajien suojauksen kannalta erityisen tärkeää on tutkia, miten eri omaisuusluokat korreloivat kriisiperiodien aikana. Tässä Pro-Gradu -tutkielmassa tarkastellaan osakemarkkinakriisien vaikutusta hyödykefutuurien ja osakemarkkinatuottojen välisiin korrelaatioihin USA:n markkinoilla erityisesti raakaöljyn ja kullan osalta. Korrelaatioiden mallintamisessa hyödynnetään Cappiellon, Englen ja Sheppardin vuonna 2006 ehdottamaa yleistettyä diagonaalimuotoista DCC GARCH -mallia. Tutkimuksessa verrataan ehdollisten korrelaatioiden kehitystä erikseen USA:n osakemarkkinoiden yleisindeksin ja energiase…

Q-Coh: A tool to screen the methodological quality of cohort studies in systematic reviews and meta-analyses

2013

The evaluation of the methodological quality of primary studies in a systematic review is a key process to enhance the likelihood of achieving valid results. When considering non-randomized designs as cohort studies, this process becomes even more critical, since these designs are more susceptible to bias than randomized controlled trials are. Taking this into account, a tool, named Q-Coh, was designed with the aim to screen the methodological quality of the primary studies with a cohort design priming specificity over sensitivity in a reasonable application time. After applying it to 21 prospective cohort studies by three raters, all domains had a moderate to good agreement, with all excep…

Good Conscience, False Consciousness, Judging Reason

1972

In all scientific or popular reflections on the theory of practical conduct, during the 20th century, almost no mention is made of a ‘good conscience’: people simply have it1, that means, they are assured of themselves, because they believe themselves to possess the ‘true consciousness’, whereas possible adversaries are flatly accused of manifesting a ‘false consciousness’2. The seeming evidence of this opinion as well as the pious adoption of the conditions and consequences implied in it make the relation of ‘good conscience’ and ‘false consciousness’ an eminent theme of a philosophy striving at unequivocal enlightenment of disguised phenomena through fundamental inquiry. Such a philosophy…

2019

Ultrasmall polyaminocarboxylate-coated gold nanoparticles (NPs), Au@DTDTPA and Au@TADOTAGA, that have been recently developed exhibit a promising potential for image-guided radiotherapy. In order to render the radiosensitizing effect of these gold nanoparticles even more efficient, the study of their localization in cells is required to better understand the relation between the radiosensitizing properties of the agents and their localization in cells and in tumors. To achieve this goal, post-functionalization of Au@DTDTPA nanoparticles by near-infrared (NIF) organic dyes (aminated derivative of cyanine 5, Cy5-NH2) was performed. The immobilization of organic Cy5-NH2 dyes onto the gold nano…

Dating of Archaeological Gold by Means of Solid State Electrochemistry

2018

[EN] In archaeology and history of art, age determination is a fundamental analytical problem. While several techniques for age determination of various materials, like radiocarbon dating, are established, these methods cannot be applied for metals, for which new techniques have to be developed. For the first time a dating method for archaeological gold objects is described which is based on a corrosion clock and electrochemical measurements, using the voltammetry of immobilized particles. Samples are prepared by one touch' with a graphite pencil, only transferring a few nanograms of the archaeological gold. The method has been calibrated with the help of a series of well-documented gold sp…

Spatial and temporal variations in cuticle proteins as revealed by monoclonal antibodies. Immunoblotting analysis and ultrastructural immunolocalizat…

1989

A library of monoclonal antibodies (Mabs) against adult cuticle of Tenebrio was used to visualize the secretion of cuticular antigens during metamorphosis. Immunoblots of water- and urea-soluble proteins, and high resolution immunogold labelling has shown that, except in one clone, the Mabs recognize antigens in the three developmental stages. However, the MW of larval and pupal antigens are different from the adult ones, though sharing common epitopes. Blots of cuticle proteins (CPs) bound to different lectins shown few water-soluble glycosylated proteins weakly or not recognized by the Mabs, suggesting that the majority of the Mabs do not recognize glycosylated epitopes. The immunolocaliz…

Translating cross-lagged effects into incidence rates and risk ratios: The case of psychosocial safety climate and depression

2017

Longitudinal studies are the gold standard of empirical work and stress research whenever experiments are not plausible. Frequently, scales are used to assess risk factors and their consequences, and cross-lagged effects are estimated to determine possible risks. Methods to translate cross-lagged effects into risk ratios to facilitate risk assessment do not yet exist, which creates a divide between psychological and epidemiological work stress research. The aim of the present paper is to demonstrate how cross-lagged effects can be used to assess the risk ratio of different levels of psychosocial safety climate (PSC) in organisations, an important psychosocial risk for the development of dep…

Joint protection in haemophilia

2011

Haemarthroses (intra-articular haemorrhages) are a frequent finding typically observed in patients with haemophilia. Diagnosis and treatment of these bleeding episodes must be delivered as early as possible. Additionally, treatment should ideally be administered intensively (enhanced on-demand treatment) until the resolution of symptoms. Joint aspiration plays an important role in acute and profuse haemarthroses as the presence of blood in the joint leads to chondrocyte apoptosis and chronic synovitis, which will eventually result in joint degeneration (haemophilic arthropathy). Ultrasonography (US) is an appropriate diagnostic technique to assess the evolution of acute haemarthrosis in hae…