408 search results for “metal bioavailability” in the Public website
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Water quality tool for improved risk assessments launched
CML-Leiden University has developed a user-friendly tool that improves the risk assessment of heavy metals in surface waters. The tool was developed in cooperation with Deltares and the National Institute of Health and Environment (RIVM).
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Luminescence and applications of lanthanoid coordination polymers
Promotor: E. Bouwman, Co-Promotor: S. Bonnet
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Develop a methodology for assessing the effective dose of nanomaterials for environmental risk assessment purposes
How to make a quantitative assessment of the relative contribution to toxicity of ions and particles? Is the toxicity of nanoparticles related to their size or shape? Which physicochemical property of nanoparticles is an appropriate dose metric of nanoparticles?
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TV-Interview Rene Kleijn about metals scarcity in relation to the energy transition
CML-researcher Rene Kleijn has spoken about metals scarcity in relation to the energy transition in a new Dutch popular scientific TV show called
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Aimee Boyle
Science
a.l.boyle@lic.leidenuniv.nl | +31 71 527 2727
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Carina Harpprecht
Science
c.i.harpprecht@cml.leidenuniv.nl | +31 71 527 2727
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semi-local DFT is accurate for dissociative chemisorption on a transition metal surface, and when it is not
Density functional theory (DFT) with so-called semi-local exchange has been remarkable accurate for some dissociative chemisorption reactions on metals, but it has notoriously failed for others. A team of researchers from the University of California at Irvine and the Leiden Institute of Chemistry have…
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predictor for variation with geometry of barriers for reactions on metals
A semi-empirical version of the specific reaction parameter approach to density functional theory (SRP-DFT) has been remarkably successful at predicting dissociative chemisorption probability vs. incidence energy curves for reactions on metal surfaces. New quantum Monte Carlo (QMC) calculations on the…
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Cathodic corrosion
Cathodic corrosion is a relatively unknown phenomenon that can severely etch metallic electrodes at cathodic (negative) potentials.
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Observing what cannot be observed: computational electrochemistry from carbon to hydrogen
In this thesis, we consider various (electro)chemical phenomena at surfaces and nanoparticles and their underlying atomistic processes, which we studied using first-principles methods such as density functional theory.
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Ruthenium-peptide conjugates for targeted phototherapy
As leading cause of death worldwide, cancer is responsible for nearly 10 million deaths in 2020 according to World Health Organization (WHO). Cisplatin and its derivatives are commonly used chemotherapy agents for current cancer treatment in the clinics.
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Microscopy and Spectroscopy on Model Catalysts in Gas Environments
In surface science there is great effort to move from studying simple, flat model surfaces in vacuum to investigating more complex model catalysts in gas environments (in situ). This thesis gives three examples of such studies using microscopy and spectroscopy.
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Allosteric Modulation
Allosteric modulation has long been recognized as a general and widespread mechanism for the control of protein function. Modulators bind to regulatory sites distinct from the active site on the protein, resulting in conformational changes that may profoundly influence protein function. This concept…
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Collaborations
Ecotox is located in an ambitious surrounding at the Leiden University. It is an initiative of both institutes Institute of Environmental Sciences (CML) and Institute of Biology Leiden (IBL).
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Patterns of Paleomobility in the Ancient Antilles
Patterns of paleomobility in the Caribbean were studied through an inter-disciplinary approach using a combination of archaeological, osteological, mortuary, and isotopic data.
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Sander van Nielen
Science
s.s.van.nielen@cml.leidenuniv.nl | +31 71 527 2727
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Research
Research at the MCBIM group is comprised of the following research themes:
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Discovery of Reversible Monoacylglycerol Lipase Inhibitors
Monoacylglycerol lipase (MAGL) is the principal enzyme responsible for hydrolysis of the endocannabinoid 2-arachidonoylglycerol (2-AG). MAGL inhibition provides several potential therapeutic opportunities, including anti-nociceptive, anti-inflammatory and anti-cancer activity.
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NWO Projectruimte for physicists Schalm and Zaanen
NWO has awarded a €392k Projectruimte grant to physicists Koenraad Schalm and Jan Zaanen to study ‘strange metals’. These materials are alleged to follow the bizarre laws of quantum mechanics even at everyday length scales.
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PhD Theses
A full overview of THEOR PhD theses.
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Jaco Geuchies
Science
j.j.geuchies@lic.leidenuniv.nl | +31 71 527 2727
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Biotic ligand models
Description of Biotic ligand models: making an inventory of available models & assessment of the variability of the predicted HC5 using the BLMs in different Dutch water types (2005 - 2007)
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Towards chemically accurate simulation of molecule-surface reactions
This perspective addresses four challenges facing theorists whose aim is to make quantitatively accurate predictions for reactions of molecules on metal surfaces, and suggests ways of meeting these challenges, focusing on dissociative chemisorption reactions of H2, N2, and CH4.
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Research
Research at the THEOR group is comprised of the following research themes:
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Surface plasmon lasers
Surface plasmons (SPs) are surface waves at the interface between a dielectric and a good metal, and are formed by the interaction between light and the free electrons at the metal-dielectric interface. They provide strong field confinement for optical fields, opening new possibilities for enhanced…
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Electrochemical and surface studies of the effect of naphthalene-based additives on tin electrodeposition
Tin electrodeposition applications have rapidly evolved in the past 25 years.
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Gas-surface reaction dynamics and surface science
The local ordering of atoms at the surface of a metallic particle determines its catalytic activity and selectivity. As energy systems of the future will be based on efficient catalytic conversion of small molecules in closed cycles, we study how structural effects of catalysts can be used to our ad…
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Contact
Contact Metals in Catalysis, Biomimetics & Inorganic Chemisrty
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Polypept(o)ide-based nanostructures for therapeutic and diagnostic application
Nanoparticles exhibit a number of adjustable properties, e.g., their size, shape, and surface and core chemistry, which can be further diversified with different functional moieties. This opens a broad field for application in diagnostic and therapy. In this respect, the use of a polymeric hybrid material,…
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Teaching
Research projects for students of the University of Leiden and other Dutch Universities are often available at the MacBio group. The research lines are also described in the Research section. For details of specific projects contact the supervisor (Ubbink, Dame, Boyle, Jeuken or Wentink).
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From supernovae to galaxy clusters: observing the chemical enrichment in the hot intra-cluster medium
Promotor: Jelle S. Kaastra Co-promotor: Jelle de Plaa
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Non-equilibrium chemistry and cooling in simulations of galaxy formation
Promotor: J. Schaye
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Galaxy formation traced by heavy element pollution
Galaxies form and evolve through close interaction with their surroundings. As a result, the heavy elements ('metals') that are synthesized in stars, are found both inside and outside galaxies.
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Molecular and Nano-Engineering with Iron, Ruthenium and Carbon: Hybrid structures for Sensing
Metal complexes and 2D materials like graphene were combined to produce structures that can function as sensors.
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Visualizing strongly-correlated electrons with a novel scanning tunneling microscope
Materials with strongly correlated electrons show some of the most mysterious and exotic phases of quantum matter, such as unconventional superconductivity, quantum criticality and strange metal phase.
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Reactivity of cobalt(II)-dichalcogenide complexes: correlation between redox conversion and ligand-field strength
The redox-conversion reaction of metal-disulfide and metal-thiolate complexes are important, as they may shed light on electron-transfer reactions that often occur in Nature.
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Adiabatic Energy Loss in Hyperthermal H Atom Collisions with Cu and Au: A Basis for Testing the Importance of Nonadiabatic Energy Loss
Nonadiabatic energy transfer from the translational motion (T) of a molecule impinging on metal surface to the metal’s electrons may determine whether the molecule can lose enough energy to adsorb or react.
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Nano-scale electronic structure of strongly correlated electron systems
In condensed matter systems electron-electron interactions, negligible in everyday metals, can dramatically alter the electronic behavior of the system. Examples of such altered behavior include high-temperature superconductivity and modulation of the electron density.
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Economies of Destruction
How the systematic destruction of valuables created value in Bronze Age Europe, c. 2300-500 BC
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Translational Symmetry Breaking in Holographic Strange Metals
PhD defence
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The added risk of size
What are the risks of nanoparticles?
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PUMA (Prospecting the Urban Mines of Amsterdam)
PUMA aims at composing a geological map of the urban mine of Amsterdam for a selection of metals. Where are main deposits of copper, iron and aluminium located, when will they become available for secondary production, in what state and shape are they?
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Frontiers in surface scattering simulations
Theorists have recently made substantial progress in simulating reactive molecule-metal surface scattering but still face major challenges. The grand challenge is to develop an approach that enables accurate predictive calculations of reactions involving electronically excited states with potential…
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Surface-structure dependencies in catalytic reactions
Promotor: M.T.M. Koper, Co-Promotor: L.B.F. Juurlink
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Modeling energy conversion dynamics at interfaces
Chemical reactions go hand-in-hand with an energy exchange with the environment in which they take place. Surfaces offer a variety of energy dissipation channels, constituted by the nuclear and electronic degrees of freedom of the atoms at the interface. Aiming at an improved future harvesting of energy,…
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Semi-empirical approach to the simulation of molecule-surface reaction dynamics
Catalysis is of extreme relevance in the production of everyday materials and plays a central role in many aspects of our life.
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Effect of Nanoparticles on Microbial Catabolism and Community Structure using Biolog techniques
1. To what extent do metallic NPs added to soil extractions change the activity, abundance, or community composition of microbes? 2. How do the effects of metallic NPs on soil microbes differ from the effects of the ions shedding from corresponding NPs?
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Theoretical Chemistry
The main goal of the THEOR CHEM group, headed by Prof. Geert-Jan Kroes, is to characterize, and to accurately predict the outcome of chemical reactions at gas-solid and liquid-solid interfaces. Here the solid surface is typically a metal or an ice surface. These goals are important to many areas in…
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Charlemagne's Workshops
An Investigation into the role of copper-alloy craft production in the early medieval economy of northwest Europe.
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Best Spanish doctoral thesis in Soil science in 2015 for CML researcher Daniel Arenas Lago
The Spanish Society of Soil Science has chosen as the best thesis of 2015 (call 2016) in Spain to the CML-researcher Daniel Arenas Lago, for his research at the University of Vigo that expands and deepens in new knowledge about adsorption and retention of heavy metals in soils, an issue increasingly…